row_index,smiles,precursor_mz,adduct,collision_energy,fold,canonical_isomeric_smiles
502647,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,264.04892,[M-H]-,20.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502648,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,264.04892,[M-H]-,20.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502649,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,264.04892,[M-H]-,60.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502650,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,264.04892,[M-H]-,30.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502651,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,264.04892,[M-H]-,20.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502652,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,264.04892,[M-H]-,60.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502653,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,264.04892,[M-H]-,30.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502654,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,264.04892,[M-H]-,20.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502655,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,266.06347,[M+H]+,20.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502656,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,266.06347,[M+H]+,20.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502657,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,266.06347,[M+H]+,60.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502658,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,266.06347,[M+H]+,30.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502659,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,266.06347,[M+H]+,20.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502660,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,266.06347,[M+H]+,60.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502661,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,266.06347,[M+H]+,30.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502662,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O,266.06347,[M+H]+,20.0,test,CC(O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
502663,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1,296.02099,[M-H]-,20.0,test,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
502664,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1,296.02099,[M-H]-,20.0,test,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
502665,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1,296.02099,[M-H]-,60.0,test,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
502666,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1,296.02099,[M-H]-,30.0,test,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
502667,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1,296.02099,[M-H]-,20.0,test,CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
502668,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502669,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502670,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,60.0,test,CC1=NN(c2ccccc2)C(=O)C1
502671,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502672,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,45.0,test,CC1=NN(c2ccccc2)C(=O)C1
502673,NC(=O)Cc1c[nH]c2ccccc12,175.08659,[M+H]+,15.0,test,NC(=O)Cc1c[nH]c2ccccc12
502674,NC(=O)Cc1c[nH]c2ccccc12,175.08659,[M+H]+,15.0,test,NC(=O)Cc1c[nH]c2ccccc12
502675,NC(=O)Cc1c[nH]c2ccccc12,175.08659,[M+H]+,60.0,test,NC(=O)Cc1c[nH]c2ccccc12
502676,NC(=O)Cc1c[nH]c2ccccc12,175.08659,[M+H]+,20.0,test,NC(=O)Cc1c[nH]c2ccccc12
502677,NC(=O)Cc1c[nH]c2ccccc12,175.08659,[M+H]+,15.0,test,NC(=O)Cc1c[nH]c2ccccc12
502678,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,45.0,test,CC1=NN(c2ccccc2)C(=O)C1
502679,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,45.0,test,CC1=NN(c2ccccc2)C(=O)C1
502680,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502681,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,60.0,test,CC1=NN(c2ccccc2)C(=O)C1
502682,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,45.0,test,CC1=NN(c2ccccc2)C(=O)C1
502683,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502684,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502685,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,60.0,test,CC1=NN(c2ccccc2)C(=O)C1
502686,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502687,CC1=NN(c2ccccc2)C(=O)C1,173.07204,[M-H]-,45.0,test,CC1=NN(c2ccccc2)C(=O)C1
502688,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502689,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502690,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,60.0,test,CC1=NN(c2ccccc2)C(=O)C1
502691,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502692,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,45.0,test,CC1=NN(c2ccccc2)C(=O)C1
502693,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,60.0,test,CC1=NN(c2ccccc2)C(=O)C1
502694,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,20.0,test,CC1=NN(c2ccccc2)C(=O)C1
502695,CC1=NN(c2ccccc2)C(=O)C1,175.08659,[M+H]+,45.0,test,CC1=NN(c2ccccc2)C(=O)C1
502696,CNC(=O)c1cc2ccccc2[nH]1,173.07204,[M-H]-,30.0,test,CNC(=O)c1cc2ccccc2[nH]1
502697,CNC(=O)c1cc2ccccc2[nH]1,173.07204,[M-H]-,30.0,test,CNC(=O)c1cc2ccccc2[nH]1
502698,CNC(=O)c1cc2ccccc2[nH]1,173.07204,[M-H]-,20.0,test,CNC(=O)c1cc2ccccc2[nH]1
502699,CNC(=O)c1cc2ccccc2[nH]1,173.07204,[M-H]-,60.0,test,CNC(=O)c1cc2ccccc2[nH]1
502700,CNC(=O)c1cc2ccccc2[nH]1,173.07204,[M-H]-,30.0,test,CNC(=O)c1cc2ccccc2[nH]1
502701,CNC(=O)c1cc2ccccc2[nH]1,173.07204,[M-H]-,45.0,test,CNC(=O)c1cc2ccccc2[nH]1
502702,CNC(=O)c1cc2ccccc2[nH]1,173.07204,[M-H]-,20.0,test,CNC(=O)c1cc2ccccc2[nH]1
502703,CNC(=O)c1cc2ccccc2[nH]1,173.07204,[M-H]-,60.0,test,CNC(=O)c1cc2ccccc2[nH]1
502704,CNC(=O)c1cc2ccccc2[nH]1,175.08659,[M+H]+,20.0,test,CNC(=O)c1cc2ccccc2[nH]1
502705,CNC(=O)c1cc2ccccc2[nH]1,175.08659,[M+H]+,20.0,test,CNC(=O)c1cc2ccccc2[nH]1
502706,CNC(=O)c1cc2ccccc2[nH]1,175.08659,[M+H]+,60.0,test,CNC(=O)c1cc2ccccc2[nH]1
502707,CNC(=O)c1cc2ccccc2[nH]1,175.08659,[M+H]+,15.0,test,CNC(=O)c1cc2ccccc2[nH]1
502708,CNC(=O)c1cc2ccccc2[nH]1,175.08659,[M+H]+,20.0,test,CNC(=O)c1cc2ccccc2[nH]1
502709,Cc1nnc(SCC#CCSc2nnc(C)s2)s1,314.98611,[M+H]+,20.0,test,Cc1nnc(SCC#CCSc2nnc(C)s2)s1
502710,Cc1nnc(SCC#CCSc2nnc(C)s2)s1,314.98611,[M+H]+,20.0,test,Cc1nnc(SCC#CCSc2nnc(C)s2)s1
502711,Cc1nnc(SCC#CCSc2nnc(C)s2)s1,314.98611,[M+H]+,60.0,test,Cc1nnc(SCC#CCSc2nnc(C)s2)s1
502712,Cc1nnc(SCC#CCSc2nnc(C)s2)s1,314.98611,[M+H]+,15.0,test,Cc1nnc(SCC#CCSc2nnc(C)s2)s1
502713,Cc1nnc(SCC#CCSc2nnc(C)s2)s1,314.98611,[M+H]+,20.0,test,Cc1nnc(SCC#CCSc2nnc(C)s2)s1
502714,COCCn1cc(-c2cc(Br)cnc2)nn1,283.0189,[M+H]+,20.0,test,COCCn1cc(-c2cncc(Br)c2)nn1
502715,COCCn1cc(-c2cc(Br)cnc2)nn1,283.0189,[M+H]+,20.0,test,COCCn1cc(-c2cncc(Br)c2)nn1
502716,COCCn1cc(-c2cc(Br)cnc2)nn1,283.0189,[M+H]+,60.0,test,COCCn1cc(-c2cncc(Br)c2)nn1
502717,COCCn1cc(-c2cc(Br)cnc2)nn1,283.0189,[M+H]+,30.0,test,COCCn1cc(-c2cncc(Br)c2)nn1
502718,COCCn1cc(-c2cc(Br)cnc2)nn1,283.0189,[M+H]+,20.0,test,COCCn1cc(-c2cncc(Br)c2)nn1
502719,COCCn1cc(-c2cc(Br)cnc2)nn1,283.0189,[M+H]+,60.0,test,COCCn1cc(-c2cncc(Br)c2)nn1
502720,COCCn1cc(-c2cc(Br)cnc2)nn1,283.0189,[M+H]+,30.0,test,COCCn1cc(-c2cncc(Br)c2)nn1
502721,COCCn1cc(-c2cc(Br)cnc2)nn1,283.0189,[M+H]+,20.0,test,COCCn1cc(-c2cncc(Br)c2)nn1
502722,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,305.02137,[M+Cl]-,20.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502723,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,305.02137,[M+Cl]-,20.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502724,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,305.02137,[M+Cl]-,60.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502725,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,305.02137,[M+Cl]-,15.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502726,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,305.02137,[M+Cl]-,20.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502727,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,315.05017,[M+FA]-,20.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502728,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,315.05017,[M+FA]-,20.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502729,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,315.05017,[M+FA]-,60.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502730,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,315.05017,[M+FA]-,15.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502731,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O,315.05017,[M+FA]-,20.0,test,OCC1OC(n2cnc3c(Cl)ncnc32)CC1O
502732,Cc1c(I)c(C2C=CNC=N2)c(C)s1,318.97604,[M+H]+,20.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502733,Cc1c(I)c(C2C=CNC=N2)c(C)s1,318.97604,[M+H]+,20.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502734,Cc1c(I)c(C2C=CNC=N2)c(C)s1,318.97604,[M+H]+,60.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502735,Cc1c(I)c(C2C=CNC=N2)c(C)s1,318.97604,[M+H]+,20.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502736,Cc1c(I)c(C2C=CNC=N2)c(C)s1,318.97604,[M+H]+,45.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502737,Cc1sc(C)c(C2C=CNC=N2)c1I,318.97604,[M+H]+,20.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502738,Cc1sc(C)c(C2C=CNC=N2)c1I,318.97604,[M+H]+,20.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502739,Cc1sc(C)c(C2C=CNC=N2)c1I,318.97604,[M+H]+,60.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502740,Cc1sc(C)c(C2C=CNC=N2)c1I,318.97604,[M+H]+,30.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502741,Cc1sc(C)c(C2C=CNC=N2)c1I,318.97604,[M+H]+,20.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502742,Cc1sc(C)c(C2C=CNC=N2)c1I,318.97604,[M+H]+,60.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502743,Cc1sc(C)c(C2C=CNC=N2)c1I,318.97604,[M+H]+,30.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502744,Cc1sc(C)c(C2C=CNC=N2)c1I,318.97604,[M+H]+,20.0,test,Cc1sc(C)c(C2C=CNC=N2)c1I
502745,COC(=O)c1sccc1NC(=O)CSc1nnnn1C,314.03761,[M+H]+,20.0,test,COC(=O)c1sccc1NC(=O)CSc1nnnn1C
502746,COC(=O)c1sccc1NC(=O)CSc1nnnn1C,314.03761,[M+H]+,20.0,test,COC(=O)c1sccc1NC(=O)CSc1nnnn1C
502747,COC(=O)c1sccc1NC(=O)CSc1nnnn1C,314.03761,[M+H]+,30.0,test,COC(=O)c1sccc1NC(=O)CSc1nnnn1C
502748,COC(=O)c1sccc1NC(=O)CSc1nnnn1C,314.03761,[M+H]+,20.0,test,COC(=O)c1sccc1NC(=O)CSc1nnnn1C
502749,COC(=O)c1sccc1NC(=O)CSc1nnnn1C,314.03761,[M+H]+,20.0,test,COC(=O)c1sccc1NC(=O)CSc1nnnn1C
502750,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,359.99491,[M-H]-,20.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502751,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,359.99491,[M-H]-,20.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502752,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,359.99491,[M-H]-,60.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502753,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,359.99491,[M-H]-,30.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502754,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,359.99491,[M-H]-,20.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502755,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,362.00946,[M+H]+,20.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502756,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,362.00946,[M+H]+,20.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502757,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,362.00946,[M+H]+,60.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502758,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,362.00946,[M+H]+,30.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502759,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,362.00946,[M+H]+,20.0,test,Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
502760,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1,324.98221,[M-H]-,20.0,test,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1
502761,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1,324.98221,[M-H]-,20.0,test,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1
502762,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1,324.98221,[M-H]-,60.0,test,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1
502763,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1,324.98221,[M-H]-,20.0,test,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1
502764,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1,324.98221,[M-H]-,45.0,test,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1
502765,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1,324.98221,[M-H]-,60.0,test,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1
502766,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1,324.98221,[M-H]-,20.0,test,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1
502767,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1,324.98221,[M-H]-,45.0,test,O=S(=O)(Nc1cc(O)c(Cl)cc1Cl)N1CCOCC1
502768,NC1CN(c2nc3ccccc3[nH]2)C1,189.11347,[M+H]+,20.0,test,NC1CN(c2nc3ccccc3[nH]2)C1
502769,NC1CN(c2nc3ccccc3[nH]2)C1,189.11347,[M+H]+,20.0,test,NC1CN(c2nc3ccccc3[nH]2)C1
502770,NC1CN(c2nc3ccccc3[nH]2)C1,189.11347,[M+H]+,60.0,test,NC1CN(c2nc3ccccc3[nH]2)C1
502771,NC1CN(c2nc3ccccc3[nH]2)C1,189.11347,[M+H]+,30.0,test,NC1CN(c2nc3ccccc3[nH]2)C1
502772,NC1CN(c2nc3ccccc3[nH]2)C1,189.11347,[M+H]+,20.0,test,NC1CN(c2nc3ccccc3[nH]2)C1
502773,NC1CN(c2nc3ccccc3[nH]2)C1,189.11347,[M+H]+,60.0,test,NC1CN(c2nc3ccccc3[nH]2)C1
502774,NC1CN(c2nc3ccccc3[nH]2)C1,189.11347,[M+H]+,30.0,test,NC1CN(c2nc3ccccc3[nH]2)C1
502775,NC1CN(c2nc3ccccc3[nH]2)C1,189.11347,[M+H]+,20.0,test,NC1CN(c2nc3ccccc3[nH]2)C1
502776,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,283.05065,[M-H]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502777,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,283.05065,[M-H]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502778,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,283.05065,[M-H]-,60.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502779,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,283.05065,[M-H]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502780,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,283.05065,[M-H]-,45.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502781,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,285.0652,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502782,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,285.0652,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502783,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,285.0652,[M+H]+,60.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502784,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,285.0652,[M+H]+,15.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502785,OC[C@H]1O[C@@H](n2cnc3c2[nH]cnc3=S)[C@H](O)[C@@H]1O,285.0652,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O
502786,CCCOC(=O)c1ccc(O)cc1,179.07137,[M-H]-,20.0,test,CCCOC(=O)c1ccc(O)cc1
502787,CCCOC(=O)c1ccc(O)cc1,179.07137,[M-H]-,20.0,test,CCCOC(=O)c1ccc(O)cc1
502788,CCCOC(=O)c1ccc(O)cc1,179.07137,[M-H]-,60.0,test,CCCOC(=O)c1ccc(O)cc1
502789,CCCOC(=O)c1ccc(O)cc1,179.07137,[M-H]-,30.0,test,CCCOC(=O)c1ccc(O)cc1
502790,CCCOC(=O)c1ccc(O)cc1,179.07137,[M-H]-,20.0,test,CCCOC(=O)c1ccc(O)cc1
502791,CC(=O)c1cc(CCO)c(O)cc1,179.07137,[M-H]-,20.0,test,CC(=O)c1ccc(O)c(CCO)c1
502792,CC(=O)c1cc(CCO)c(O)cc1,179.07137,[M-H]-,20.0,test,CC(=O)c1ccc(O)c(CCO)c1
502793,CC(=O)c1cc(CCO)c(O)cc1,179.07137,[M-H]-,60.0,test,CC(=O)c1ccc(O)c(CCO)c1
502794,CC(=O)c1cc(CCO)c(O)cc1,179.07137,[M-H]-,30.0,test,CC(=O)c1ccc(O)c(CCO)c1
502795,CC(=O)c1cc(CCO)c(O)cc1,179.07137,[M-H]-,20.0,test,CC(=O)c1ccc(O)c(CCO)c1
502796,CCc1cc(O)c(C)c(O)c1C=O,179.07137,[M-H]-,20.0,test,CCc1cc(O)c(C)c(O)c1C=O
502797,CCc1cc(O)c(C)c(O)c1C=O,179.07137,[M-H]-,20.0,test,CCc1cc(O)c(C)c(O)c1C=O
502798,CCc1cc(O)c(C)c(O)c1C=O,179.07137,[M-H]-,60.0,test,CCc1cc(O)c(C)c(O)c1C=O
502799,CCc1cc(O)c(C)c(O)c1C=O,179.07137,[M-H]-,20.0,test,CCc1cc(O)c(C)c(O)c1C=O
502800,CCc1cc(O)c(C)c(O)c1C=O,179.07137,[M-H]-,45.0,test,CCc1cc(O)c(C)c(O)c1C=O
502801,CCc1cc(O)c(C)c(O)c1C=O,179.07137,[M-H]-,60.0,test,CCc1cc(O)c(C)c(O)c1C=O
502802,CCc1cc(O)c(C)c(O)c1C=O,179.07137,[M-H]-,20.0,test,CCc1cc(O)c(C)c(O)c1C=O
502803,CCc1cc(O)c(C)c(O)c1C=O,179.07137,[M-H]-,45.0,test,CCc1cc(O)c(C)c(O)c1C=O
502804,CC(=O)c1cc(CCO)c(O)cc1,181.08592,[M+H]+,20.0,test,CC(=O)c1ccc(O)c(CCO)c1
502805,CC(=O)c1cc(CCO)c(O)cc1,181.08592,[M+H]+,20.0,test,CC(=O)c1ccc(O)c(CCO)c1
502806,CC(=O)c1cc(CCO)c(O)cc1,181.08592,[M+H]+,15.0,test,CC(=O)c1ccc(O)c(CCO)c1
502807,CC(=O)c1cc(CCO)c(O)cc1,181.08592,[M+H]+,20.0,test,CC(=O)c1ccc(O)c(CCO)c1
502808,O=C(O)C1(c2cccs2)CCOCC1,211.04344,[M-H]-,20.0,test,O=C(O)C1(c2cccs2)CCOCC1
502809,O=C(O)C1(c2cccs2)CCOCC1,211.04344,[M-H]-,20.0,test,O=C(O)C1(c2cccs2)CCOCC1
502810,O=C(O)C1(c2cccs2)CCOCC1,211.04344,[M-H]-,60.0,test,O=C(O)C1(c2cccs2)CCOCC1
502811,O=C(O)C1(c2cccs2)CCOCC1,211.04344,[M-H]-,15.0,test,O=C(O)C1(c2cccs2)CCOCC1
502812,O=C(O)C1(c2cccs2)CCOCC1,211.04344,[M-H]-,20.0,test,O=C(O)C1(c2cccs2)CCOCC1
502813,CC(C)(C)C(=O)NS(=O)(=O)c1ncc(Br)cc1,318.97575,[M-H]-,20.0,test,CC(C)(C)C(=O)NS(=O)(=O)c1ccc(Br)cn1
502814,CC(C)(C)C(=O)NS(=O)(=O)c1ncc(Br)cc1,318.97575,[M-H]-,20.0,test,CC(C)(C)C(=O)NS(=O)(=O)c1ccc(Br)cn1
502815,CC(C)(C)C(=O)NS(=O)(=O)c1ncc(Br)cc1,318.97575,[M-H]-,60.0,test,CC(C)(C)C(=O)NS(=O)(=O)c1ccc(Br)cn1
502816,CC(C)(C)C(=O)NS(=O)(=O)c1ncc(Br)cc1,318.97575,[M-H]-,30.0,test,CC(C)(C)C(=O)NS(=O)(=O)c1ccc(Br)cn1
502817,CC(C)(C)C(=O)NS(=O)(=O)c1ncc(Br)cc1,318.97575,[M-H]-,20.0,test,CC(C)(C)C(=O)NS(=O)(=O)c1ccc(Br)cn1
502818,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,259.07357,[M-H]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502819,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,259.07357,[M-H]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502820,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,259.07357,[M-H]-,60.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502821,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,259.07357,[M-H]-,15.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502822,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,259.07357,[M-H]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502823,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,295.05025,[M+Cl]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502824,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,295.05025,[M+Cl]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502825,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,295.05025,[M+Cl]-,60.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502826,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,295.05025,[M+Cl]-,15.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502827,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,295.05025,[M+Cl]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502828,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502829,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502830,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,60.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502831,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,15.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502832,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502833,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502834,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502835,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,60.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502836,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,15.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502837,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502838,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502839,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502840,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,60.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502841,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,15.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502842,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
502843,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,259.07357,[M-H]-,30.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502844,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,259.07357,[M-H]-,30.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502845,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,259.07357,[M-H]-,60.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502846,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,259.07357,[M-H]-,20.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502847,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,259.07357,[M-H]-,30.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502848,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,295.05025,[M+Cl]-,20.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502849,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,295.05025,[M+Cl]-,20.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502850,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,295.05025,[M+Cl]-,60.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502851,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,295.05025,[M+Cl]-,15.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502852,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,295.05025,[M+Cl]-,20.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502853,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,305.07905,[M+FA]-,20.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502854,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,305.07905,[M+FA]-,20.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502855,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,305.07905,[M+FA]-,60.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502856,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,305.07905,[M+FA]-,15.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502857,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O,305.07905,[M+FA]-,20.0,test,C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O
502858,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502859,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502860,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,60.0,test,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502861,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,15.0,test,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502862,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,305.07905,[M+FA]-,20.0,test,C[C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
502863,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1,272.06995,[M+H]+,20.0,test,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1
502864,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1,272.06995,[M+H]+,20.0,test,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1
502865,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1,272.06995,[M+H]+,60.0,test,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1
502866,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1,272.06995,[M+H]+,30.0,test,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1
502867,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1,272.06995,[M+H]+,20.0,test,CS(=O)(=O)CCC(N)c1nc(-c2ccco2)no1
502868,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,339.04026,[M-H]-,20.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502869,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,339.04026,[M-H]-,20.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502870,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,339.04026,[M-H]-,60.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502871,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,339.04026,[M-H]-,30.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502872,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,339.04026,[M-H]-,20.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502873,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,339.04026,[M-H]-,45.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502874,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,339.04026,[M-H]-,60.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502875,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,339.04026,[M-H]-,20.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502876,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,341.05481,[M+H]+,20.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502877,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,341.05481,[M+H]+,20.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502878,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,341.05481,[M+H]+,60.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502879,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,341.05481,[M+H]+,30.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502880,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,341.05481,[M+H]+,20.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502881,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,341.05481,[M+H]+,60.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502882,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,341.05481,[M+H]+,30.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502883,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1,341.05481,[M+H]+,20.0,test,CS(=O)(=O)Nc1nnc(NC(=O)C2CCCC(F)(F)C2)s1
502884,CCc1cn2CCC(C(=O)O)Cc2n1,193.09825,[M-H]-,20.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
502885,CCc1cn2CCC(C(=O)O)Cc2n1,193.09825,[M-H]-,20.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
502886,CCc1cn2CCC(C(=O)O)Cc2n1,193.09825,[M-H]-,15.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
502887,CCc1cn2CCC(C(=O)O)Cc2n1,193.09825,[M-H]-,60.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
502888,CCc1cn2CCC(C(=O)O)Cc2n1,193.09825,[M-H]-,30.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
502889,CCc1cn2CCC(C(=O)O)Cc2n1,193.09825,[M-H]-,20.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
502890,CCc1cn2CCC(C(=O)O)Cc2n1,193.09825,[M-H]-,60.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
502891,CCc1cn2CCC(C(=O)O)Cc2n1,193.09825,[M-H]-,20.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
502892,O=C(O)c1n[nH]c(C2CCCCC2)c1,193.09825,[M-H]-,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
502893,O=C(O)c1n[nH]c(C2CCCCC2)c1,193.09825,[M-H]-,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
502894,O=C(O)c1n[nH]c(C2CCCCC2)c1,193.09825,[M-H]-,60.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
502895,O=C(O)c1n[nH]c(C2CCCCC2)c1,193.09825,[M-H]-,30.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
502896,O=C(O)c1n[nH]c(C2CCCCC2)c1,193.09825,[M-H]-,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
502897,O=C(O)c1n[nH]c(C2CCCCC2)c1,193.09825,[M-H]-,60.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
502898,O=C(O)c1n[nH]c(C2CCCCC2)c1,193.09825,[M-H]-,30.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
502899,O=C(O)c1n[nH]c(C2CCCCC2)c1,193.09825,[M-H]-,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
502900,Cc1cn2CC(C(=O)O)CC(C)c2n1,193.09825,[M-H]-,20.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502901,Cc1cn2CC(C(=O)O)CC(C)c2n1,193.09825,[M-H]-,20.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502902,Cc1cn2CC(C(=O)O)CC(C)c2n1,193.09825,[M-H]-,60.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502903,Cc1cn2CC(C(=O)O)CC(C)c2n1,193.09825,[M-H]-,30.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502904,Cc1cn2CC(C(=O)O)CC(C)c2n1,193.09825,[M-H]-,20.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502905,Cc1cn2CC(C(=O)O)CC(C)c2n1,193.09825,[M-H]-,60.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502906,Cc1cn2CC(C(=O)O)CC(C)c2n1,193.09825,[M-H]-,30.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502907,Cc1cn2CC(C(=O)O)CC(C)c2n1,193.09825,[M-H]-,20.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502908,CC(C)(C(=O)O)n1ccc(C2CC2)n1,195.1128,[M+H]+,20.0,test,CC(C)(C(=O)O)n1ccc(C2CC2)n1
502909,CC(C)(C(=O)O)n1ccc(C2CC2)n1,195.1128,[M+H]+,20.0,test,CC(C)(C(=O)O)n1ccc(C2CC2)n1
502910,CC(C)(C(=O)O)n1ccc(C2CC2)n1,195.1128,[M+H]+,60.0,test,CC(C)(C(=O)O)n1ccc(C2CC2)n1
502911,CC(C)(C(=O)O)n1ccc(C2CC2)n1,195.1128,[M+H]+,30.0,test,CC(C)(C(=O)O)n1ccc(C2CC2)n1
502912,CC(C)(C(=O)O)n1ccc(C2CC2)n1,195.1128,[M+H]+,20.0,test,CC(C)(C(=O)O)n1ccc(C2CC2)n1
502913,CC(C)(C(=O)O)n1ccc(C2CC2)n1,195.1128,[M+H]+,60.0,test,CC(C)(C(=O)O)n1ccc(C2CC2)n1
502914,CC(C)(C(=O)O)n1ccc(C2CC2)n1,195.1128,[M+H]+,30.0,test,CC(C)(C(=O)O)n1ccc(C2CC2)n1
502915,CC(C)(C(=O)O)n1ccc(C2CC2)n1,195.1128,[M+H]+,20.0,test,CC(C)(C(=O)O)n1ccc(C2CC2)n1
502916,Cc1c(C(=O)O)cnn1C1CCCC1,195.1128,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C1CCCC1
502917,Cc1c(C(=O)O)cnn1C1CCCC1,195.1128,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C1CCCC1
502918,Cc1c(C(=O)O)cnn1C1CCCC1,195.1128,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1C1CCCC1
502919,Cc1c(C(=O)O)cnn1C1CCCC1,195.1128,[M+H]+,30.0,test,Cc1c(C(=O)O)cnn1C1CCCC1
502920,Cc1c(C(=O)O)cnn1C1CCCC1,195.1128,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C1CCCC1
502921,Cc1c(C(=O)O)cnn1C1CCCC1,195.1128,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1C1CCCC1
502922,Cc1c(C(=O)O)cnn1C1CCCC1,195.1128,[M+H]+,30.0,test,Cc1c(C(=O)O)cnn1C1CCCC1
502923,Cc1c(C(=O)O)cnn1C1CCCC1,195.1128,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C1CCCC1
502924,CC(C)n1ncc(C(=O)O)c1C1CC1,195.1128,[M+H]+,20.0,test,CC(C)n1ncc(C(=O)O)c1C1CC1
502925,CC(C)n1ncc(C(=O)O)c1C1CC1,195.1128,[M+H]+,20.0,test,CC(C)n1ncc(C(=O)O)c1C1CC1
502926,CC(C)n1ncc(C(=O)O)c1C1CC1,195.1128,[M+H]+,60.0,test,CC(C)n1ncc(C(=O)O)c1C1CC1
502927,CC(C)n1ncc(C(=O)O)c1C1CC1,195.1128,[M+H]+,30.0,test,CC(C)n1ncc(C(=O)O)c1C1CC1
502928,CC(C)n1ncc(C(=O)O)c1C1CC1,195.1128,[M+H]+,20.0,test,CC(C)n1ncc(C(=O)O)c1C1CC1
502929,CC(C)n1ncc(C(=O)O)c1C1CC1,195.1128,[M+H]+,60.0,test,CC(C)n1ncc(C(=O)O)c1C1CC1
502930,CC(C)n1ncc(C(=O)O)c1C1CC1,195.1128,[M+H]+,30.0,test,CC(C)n1ncc(C(=O)O)c1C1CC1
502931,CC(C)n1ncc(C(=O)O)c1C1CC1,195.1128,[M+H]+,20.0,test,CC(C)n1ncc(C(=O)O)c1C1CC1
502932,Cc1cc(C(=O)O)nn1C(C)C1CC1,177.10224,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502933,Cc1cc(C(=O)O)nn1C(C)C1CC1,177.10224,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502934,Cc1cc(C(=O)O)nn1C(C)C1CC1,177.10224,[M+H-H2O]+,60.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502935,Cc1cc(C(=O)O)nn1C(C)C1CC1,177.10224,[M+H-H2O]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502936,Cc1cc(C(=O)O)nn1C(C)C1CC1,177.10224,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502937,Cc1cc(C(=O)O)nn1C(C)C1CC1,195.1128,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502938,Cc1cc(C(=O)O)nn1C(C)C1CC1,195.1128,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502939,Cc1cc(C(=O)O)nn1C(C)C1CC1,195.1128,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502940,Cc1cc(C(=O)O)nn1C(C)C1CC1,195.1128,[M+H]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502941,Cc1cc(C(=O)O)nn1C(C)C1CC1,195.1128,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502942,Cc1cc(C(=O)O)nn1C(C)C1CC1,195.1128,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502943,Cc1cc(C(=O)O)nn1C(C)C1CC1,195.1128,[M+H]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502944,Cc1cc(C(=O)O)nn1C(C)C1CC1,195.1128,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502945,Cc1cc(C(=O)O)nn1C(C)C1CC1,217.09475,[M+Na]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502946,Cc1cc(C(=O)O)nn1C(C)C1CC1,217.09475,[M+Na]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502947,Cc1cc(C(=O)O)nn1C(C)C1CC1,217.09475,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502948,Cc1cc(C(=O)O)nn1C(C)C1CC1,217.09475,[M+Na]+,60.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502949,Cc1cc(C(=O)O)nn1C(C)C1CC1,217.09475,[M+Na]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C1CC1
502950,O=C(O)CCn1ncc2c1CCCC2,177.10224,[M+H-H2O]+,20.0,test,O=C(O)CCn1ncc2c1CCCC2
502951,O=C(O)CCn1ncc2c1CCCC2,177.10224,[M+H-H2O]+,20.0,test,O=C(O)CCn1ncc2c1CCCC2
502952,O=C(O)CCn1ncc2c1CCCC2,177.10224,[M+H-H2O]+,60.0,test,O=C(O)CCn1ncc2c1CCCC2
502953,O=C(O)CCn1ncc2c1CCCC2,177.10224,[M+H-H2O]+,30.0,test,O=C(O)CCn1ncc2c1CCCC2
502954,O=C(O)CCn1ncc2c1CCCC2,177.10224,[M+H-H2O]+,20.0,test,O=C(O)CCn1ncc2c1CCCC2
502955,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,20.0,test,O=C(O)CCn1ncc2c1CCCC2
502956,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,20.0,test,O=C(O)CCn1ncc2c1CCCC2
502957,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,30.0,test,O=C(O)CCn1ncc2c1CCCC2
502958,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,60.0,test,O=C(O)CCn1ncc2c1CCCC2
502959,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,20.0,test,O=C(O)CCn1ncc2c1CCCC2
502960,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,45.0,test,O=C(O)CCn1ncc2c1CCCC2
502961,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,30.0,test,O=C(O)CCn1ncc2c1CCCC2
502962,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,60.0,test,O=C(O)CCn1ncc2c1CCCC2
502963,O=C(O)CCn1ncc2c1CCCC2,195.1128,[M+H]+,20.0,test,O=C(O)CCn1ncc2c1CCCC2
502964,O=C(O)C1CCCCC1n1cccn1,177.10224,[M+H-H2O]+,20.0,test,O=C(O)C1CCCCC1n1cccn1
502965,O=C(O)C1CCCCC1n1cccn1,177.10224,[M+H-H2O]+,20.0,test,O=C(O)C1CCCCC1n1cccn1
502966,O=C(O)C1CCCCC1n1cccn1,177.10224,[M+H-H2O]+,60.0,test,O=C(O)C1CCCCC1n1cccn1
502967,O=C(O)C1CCCCC1n1cccn1,177.10224,[M+H-H2O]+,30.0,test,O=C(O)C1CCCCC1n1cccn1
502968,O=C(O)C1CCCCC1n1cccn1,177.10224,[M+H-H2O]+,20.0,test,O=C(O)C1CCCCC1n1cccn1
502969,O=C(O)C1CCCCC1n1cccn1,195.1128,[M+H]+,20.0,test,O=C(O)C1CCCCC1n1cccn1
502970,O=C(O)C1CCCCC1n1cccn1,195.1128,[M+H]+,20.0,test,O=C(O)C1CCCCC1n1cccn1
502971,O=C(O)C1CCCCC1n1cccn1,195.1128,[M+H]+,60.0,test,O=C(O)C1CCCCC1n1cccn1
502972,O=C(O)C1CCCCC1n1cccn1,195.1128,[M+H]+,30.0,test,O=C(O)C1CCCCC1n1cccn1
502973,O=C(O)C1CCCCC1n1cccn1,195.1128,[M+H]+,20.0,test,O=C(O)C1CCCCC1n1cccn1
502974,O=C(O)C1CCCCC1n1cccn1,195.1128,[M+H]+,60.0,test,O=C(O)C1CCCCC1n1cccn1
502975,O=C(O)C1CCCCC1n1cccn1,195.1128,[M+H]+,30.0,test,O=C(O)C1CCCCC1n1cccn1
502976,O=C(O)C1CCCCC1n1cccn1,195.1128,[M+H]+,20.0,test,O=C(O)C1CCCCC1n1cccn1
502977,Cc1cn2CC(C(=O)O)CC(C)c2n1,195.1128,[M+H]+,20.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502978,Cc1cn2CC(C(=O)O)CC(C)c2n1,195.1128,[M+H]+,20.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502979,Cc1cn2CC(C(=O)O)CC(C)c2n1,195.1128,[M+H]+,60.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502980,Cc1cn2CC(C(=O)O)CC(C)c2n1,195.1128,[M+H]+,20.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502981,Cc1cn2CC(C(=O)O)CC(C)c2n1,195.1128,[M+H]+,45.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502982,Cc1cn2CC(C(=O)O)CC(C)c2n1,195.1128,[M+H]+,60.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502983,Cc1cn2CC(C(=O)O)CC(C)c2n1,195.1128,[M+H]+,20.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502984,Cc1cn2CC(C(=O)O)CC(C)c2n1,195.1128,[M+H]+,45.0,test,Cc1cn2c(n1)C(C)CC(C(=O)O)C2
502985,O=C(O)c1cn(C2CCCCC2)nc1,195.1128,[M+H]+,20.0,test,O=C(O)c1cnn(C2CCCCC2)c1
502986,O=C(O)c1cn(C2CCCCC2)nc1,195.1128,[M+H]+,20.0,test,O=C(O)c1cnn(C2CCCCC2)c1
502987,O=C(O)c1cn(C2CCCCC2)nc1,195.1128,[M+H]+,60.0,test,O=C(O)c1cnn(C2CCCCC2)c1
502988,O=C(O)c1cn(C2CCCCC2)nc1,195.1128,[M+H]+,30.0,test,O=C(O)c1cnn(C2CCCCC2)c1
502989,O=C(O)c1cn(C2CCCCC2)nc1,195.1128,[M+H]+,20.0,test,O=C(O)c1cnn(C2CCCCC2)c1
502990,O=C(O)c1cn(C2CCCCC2)nc1,195.1128,[M+H]+,60.0,test,O=C(O)c1cnn(C2CCCCC2)c1
502991,O=C(O)c1cn(C2CCCCC2)nc1,195.1128,[M+H]+,30.0,test,O=C(O)c1cnn(C2CCCCC2)c1
502992,O=C(O)c1cn(C2CCCCC2)nc1,195.1128,[M+H]+,20.0,test,O=C(O)c1cnn(C2CCCCC2)c1
502993,CC1CCCn2c(CC(=O)O)cnc12,195.1128,[M+H]+,20.0,test,CC1CCCn2c(CC(=O)O)cnc21
502994,CC1CCCn2c(CC(=O)O)cnc12,195.1128,[M+H]+,20.0,test,CC1CCCn2c(CC(=O)O)cnc21
502995,CC1CCCn2c(CC(=O)O)cnc12,195.1128,[M+H]+,60.0,test,CC1CCCn2c(CC(=O)O)cnc21
502996,CC1CCCn2c(CC(=O)O)cnc12,195.1128,[M+H]+,20.0,test,CC1CCCn2c(CC(=O)O)cnc21
502997,CC1CCCn2c(CC(=O)O)cnc12,195.1128,[M+H]+,45.0,test,CC1CCCn2c(CC(=O)O)cnc21
502998,CC1CCCn2c(CC(=O)O)cnc12,195.1128,[M+H]+,60.0,test,CC1CCCn2c(CC(=O)O)cnc21
502999,CC1CCCn2c(CC(=O)O)cnc12,195.1128,[M+H]+,20.0,test,CC1CCCn2c(CC(=O)O)cnc21
503000,CC1CCCn2c(CC(=O)O)cnc12,195.1128,[M+H]+,45.0,test,CC1CCCn2c(CC(=O)O)cnc21
503001,CCc1cn2CCC(C(=O)O)Cc2n1,195.1128,[M+H]+,20.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
503002,CCc1cn2CCC(C(=O)O)Cc2n1,195.1128,[M+H]+,20.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
503003,CCc1cn2CCC(C(=O)O)Cc2n1,195.1128,[M+H]+,60.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
503004,CCc1cn2CCC(C(=O)O)Cc2n1,195.1128,[M+H]+,20.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
503005,CCc1cn2CCC(C(=O)O)Cc2n1,195.1128,[M+H]+,60.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
503006,CCc1cn2CCC(C(=O)O)Cc2n1,195.1128,[M+H]+,20.0,test,CCc1cn2c(n1)CC(C(=O)O)CC2
503007,O=C(O)c1c(C2CCCCC2)[nH]nc1,195.1128,[M+H]+,20.0,test,O=C(O)c1cn[nH]c1C1CCCCC1
503008,O=C(O)c1c(C2CCCCC2)[nH]nc1,195.1128,[M+H]+,20.0,test,O=C(O)c1cn[nH]c1C1CCCCC1
503009,O=C(O)c1c(C2CCCCC2)[nH]nc1,195.1128,[M+H]+,60.0,test,O=C(O)c1cn[nH]c1C1CCCCC1
503010,O=C(O)c1c(C2CCCCC2)[nH]nc1,195.1128,[M+H]+,20.0,test,O=C(O)c1cn[nH]c1C1CCCCC1
503011,O=C(O)c1c(C2CCCCC2)[nH]nc1,195.1128,[M+H]+,45.0,test,O=C(O)c1cn[nH]c1C1CCCCC1
503012,O=C(O)c1c(C2CCCCC2)[nH]nc1,195.1128,[M+H]+,60.0,test,O=C(O)c1cn[nH]c1C1CCCCC1
503013,O=C(O)c1c(C2CCCCC2)[nH]nc1,195.1128,[M+H]+,20.0,test,O=C(O)c1cn[nH]c1C1CCCCC1
503014,O=C(O)c1c(C2CCCCC2)[nH]nc1,195.1128,[M+H]+,45.0,test,O=C(O)c1cn[nH]c1C1CCCCC1
503015,O=C(O)c1n[nH]c(C2CCCCC2)c1,177.10224,[M+H-H2O]+,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503016,O=C(O)c1n[nH]c(C2CCCCC2)c1,177.10224,[M+H-H2O]+,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503017,O=C(O)c1n[nH]c(C2CCCCC2)c1,177.10224,[M+H-H2O]+,60.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503018,O=C(O)c1n[nH]c(C2CCCCC2)c1,177.10224,[M+H-H2O]+,30.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503019,O=C(O)c1n[nH]c(C2CCCCC2)c1,177.10224,[M+H-H2O]+,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503020,O=C(O)c1n[nH]c(C2CCCCC2)c1,195.1128,[M+H]+,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503021,O=C(O)c1n[nH]c(C2CCCCC2)c1,195.1128,[M+H]+,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503022,O=C(O)c1n[nH]c(C2CCCCC2)c1,195.1128,[M+H]+,60.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503023,O=C(O)c1n[nH]c(C2CCCCC2)c1,195.1128,[M+H]+,30.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503024,O=C(O)c1n[nH]c(C2CCCCC2)c1,195.1128,[M+H]+,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503025,O=C(O)c1n[nH]c(C2CCCCC2)c1,195.1128,[M+H]+,60.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503026,O=C(O)c1n[nH]c(C2CCCCC2)c1,195.1128,[M+H]+,20.0,test,O=C(O)c1cc(C2CCCCC2)[nH]n1
503027,O=C(O)Cc1nn(C2CCCC2)cc1,195.1128,[M+H]+,20.0,test,O=C(O)Cc1ccn(C2CCCC2)n1
503028,O=C(O)Cc1nn(C2CCCC2)cc1,195.1128,[M+H]+,20.0,test,O=C(O)Cc1ccn(C2CCCC2)n1
503029,O=C(O)Cc1nn(C2CCCC2)cc1,195.1128,[M+H]+,30.0,test,O=C(O)Cc1ccn(C2CCCC2)n1
503030,O=C(O)Cc1nn(C2CCCC2)cc1,195.1128,[M+H]+,60.0,test,O=C(O)Cc1ccn(C2CCCC2)n1
503031,O=C(O)Cc1nn(C2CCCC2)cc1,195.1128,[M+H]+,15.0,test,O=C(O)Cc1ccn(C2CCCC2)n1
503032,O=C(O)Cc1nn(C2CCCC2)cc1,195.1128,[M+H]+,20.0,test,O=C(O)Cc1ccn(C2CCCC2)n1
503033,O=C(O)Cc1nn(C2CCCC2)cc1,195.1128,[M+H]+,60.0,test,O=C(O)Cc1ccn(C2CCCC2)n1
503034,O=C(O)Cc1nn(C2CCCC2)cc1,195.1128,[M+H]+,20.0,test,O=C(O)Cc1ccn(C2CCCC2)n1
503035,O=C(O)c1nn(C2CCCCC2)cc1,177.10224,[M+H-H2O]+,15.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503036,O=C(O)c1nn(C2CCCCC2)cc1,177.10224,[M+H-H2O]+,15.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503037,O=C(O)c1nn(C2CCCCC2)cc1,177.10224,[M+H-H2O]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503038,O=C(O)c1nn(C2CCCCC2)cc1,177.10224,[M+H-H2O]+,60.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503039,O=C(O)c1nn(C2CCCCC2)cc1,177.10224,[M+H-H2O]+,15.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503040,O=C(O)c1nn(C2CCCCC2)cc1,195.1128,[M+H]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503041,O=C(O)c1nn(C2CCCCC2)cc1,195.1128,[M+H]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503042,O=C(O)c1nn(C2CCCCC2)cc1,195.1128,[M+H]+,30.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503043,O=C(O)c1nn(C2CCCCC2)cc1,195.1128,[M+H]+,60.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503044,O=C(O)c1nn(C2CCCCC2)cc1,195.1128,[M+H]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503045,O=C(O)c1nn(C2CCCCC2)cc1,195.1128,[M+H]+,45.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503046,O=C(O)c1nn(C2CCCCC2)cc1,195.1128,[M+H]+,60.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503047,O=C(O)c1nn(C2CCCCC2)cc1,195.1128,[M+H]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503048,O=C(O)c1nn(C2CCCCC2)cc1,217.09475,[M+Na]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503049,O=C(O)c1nn(C2CCCCC2)cc1,217.09475,[M+Na]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503050,O=C(O)c1nn(C2CCCCC2)cc1,217.09475,[M+Na]+,30.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503051,O=C(O)c1nn(C2CCCCC2)cc1,217.09475,[M+Na]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503052,O=C(O)c1nn(C2CCCCC2)cc1,217.09475,[M+Na]+,20.0,test,O=C(O)c1ccn(C2CCCCC2)n1
503053,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,20.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503054,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,20.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503055,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,60.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503056,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,15.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503057,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,20.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503058,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,20.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503059,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,20.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503060,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,60.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503061,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,15.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503062,NC(=O)OC[C@H](N)Cc1ccccc1,195.1128,[M+H]+,20.0,test,NC(=O)OC[C@H](N)Cc1ccccc1
503063,CN1CCN(c2nnc(C(=O)O)cc2)CC1,223.11895,[M+H]+,20.0,test,CN1CCN(c2ccc(C(=O)O)nn2)CC1
503064,CN1CCN(c2nnc(C(=O)O)cc2)CC1,223.11895,[M+H]+,20.0,test,CN1CCN(c2ccc(C(=O)O)nn2)CC1
503065,CN1CCN(c2nnc(C(=O)O)cc2)CC1,223.11895,[M+H]+,30.0,test,CN1CCN(c2ccc(C(=O)O)nn2)CC1
503066,CN1CCN(c2nnc(C(=O)O)cc2)CC1,223.11895,[M+H]+,60.0,test,CN1CCN(c2ccc(C(=O)O)nn2)CC1
503067,CN1CCN(c2nnc(C(=O)O)cc2)CC1,223.11895,[M+H]+,20.0,test,CN1CCN(c2ccc(C(=O)O)nn2)CC1
503068,CN1CCN(c2nnc(C(=O)O)cc2)CC1,223.11895,[M+H]+,45.0,test,CN1CCN(c2ccc(C(=O)O)nn2)CC1
503069,CN1CCN(c2nnc(C(=O)O)cc2)CC1,223.11895,[M+H]+,60.0,test,CN1CCN(c2ccc(C(=O)O)nn2)CC1
503070,CN1CCN(c2nnc(C(=O)O)cc2)CC1,223.11895,[M+H]+,20.0,test,CN1CCN(c2ccc(C(=O)O)nn2)CC1
503071,CN1CCN(c2ncc(C(=O)O)nc2)CC1,223.11895,[M+H]+,30.0,test,CN1CCN(c2cnc(C(=O)O)cn2)CC1
503072,CN1CCN(c2ncc(C(=O)O)nc2)CC1,223.11895,[M+H]+,30.0,test,CN1CCN(c2cnc(C(=O)O)cn2)CC1
503073,CN1CCN(c2ncc(C(=O)O)nc2)CC1,223.11895,[M+H]+,20.0,test,CN1CCN(c2cnc(C(=O)O)cn2)CC1
503074,CN1CCN(c2ncc(C(=O)O)nc2)CC1,223.11895,[M+H]+,60.0,test,CN1CCN(c2cnc(C(=O)O)cn2)CC1
503075,CN1CCN(c2ncc(C(=O)O)nc2)CC1,223.11895,[M+H]+,30.0,test,CN1CCN(c2cnc(C(=O)O)cn2)CC1
503076,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,221.1044,[M-H]-,20.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503077,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,221.1044,[M-H]-,20.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503078,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,221.1044,[M-H]-,60.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503079,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,221.1044,[M-H]-,20.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503080,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,221.1044,[M-H]-,45.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503081,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,223.11895,[M+H]+,20.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503082,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,223.11895,[M+H]+,20.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503083,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,223.11895,[M+H]+,60.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503084,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,223.11895,[M+H]+,30.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503085,CC(C)Cn1c(=O)n(C)c(=O)c2c1nc[nH]2,223.11895,[M+H]+,20.0,test,CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
503086,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N,283.11493,[M+H]+,20.0,test,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N
503087,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N,283.11493,[M+H]+,20.0,test,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N
503088,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N,283.11493,[M+H]+,60.0,test,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N
503089,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N,283.11493,[M+H]+,15.0,test,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N
503090,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N,283.11493,[M+H]+,20.0,test,Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N
503091,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,265.0877,[M-H]-,20.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503092,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,265.0877,[M-H]-,20.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503093,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,265.0877,[M-H]-,60.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503094,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,265.0877,[M-H]-,30.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503095,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,265.0877,[M-H]-,20.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503096,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,267.10226,[M+H]+,20.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503097,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,267.10226,[M+H]+,20.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503098,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,267.10226,[M+H]+,60.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503099,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,267.10226,[M+H]+,15.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503100,Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2)s1,267.10226,[M+H]+,20.0,test,Cc1nnc(NC(=O)N(C)Cc2cnn(C)c2)s1
503101,CC1=C(CCCCC(=O)O)COC1=O,197.08193,[M-H]-,30.0,test,CC1=C(CCCCC(=O)O)COC1=O
503102,CC1=C(CCCCC(=O)O)COC1=O,197.08193,[M-H]-,30.0,test,CC1=C(CCCCC(=O)O)COC1=O
503103,CC1=C(CCCCC(=O)O)COC1=O,197.08193,[M-H]-,60.0,test,CC1=C(CCCCC(=O)O)COC1=O
503104,CC1=C(CCCCC(=O)O)COC1=O,197.08193,[M-H]-,20.0,test,CC1=C(CCCCC(=O)O)COC1=O
503105,CC1=C(CCCCC(=O)O)COC1=O,197.08193,[M-H]-,30.0,test,CC1=C(CCCCC(=O)O)COC1=O
503106,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1,272.07105,[M-H]-,20.0,test,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1
503107,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1,272.07105,[M-H]-,20.0,test,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1
503108,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1,272.07105,[M-H]-,60.0,test,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1
503109,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1,272.07105,[M-H]-,30.0,test,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1
503110,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1,272.07105,[M-H]-,20.0,test,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1
503111,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1,272.07105,[M-H]-,60.0,test,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1
503112,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1,272.07105,[M-H]-,30.0,test,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1
503113,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1,272.07105,[M-H]-,20.0,test,Cn1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)cn1
503114,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,272.07105,[M-H]-,20.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503115,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,272.07105,[M-H]-,20.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503116,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,272.07105,[M-H]-,60.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503117,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,272.07105,[M-H]-,30.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503118,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,272.07105,[M-H]-,20.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503119,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,272.07105,[M-H]-,60.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503120,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,272.07105,[M-H]-,30.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503121,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,272.07105,[M-H]-,20.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503122,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,274.0856,[M+H]+,20.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503123,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,274.0856,[M+H]+,20.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503124,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,274.0856,[M+H]+,60.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503125,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,274.0856,[M+H]+,30.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503126,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1,274.0856,[M+H]+,20.0,test,CCC1(C(=O)O)CCN(S(=O)(=O)c2cnc[nH]2)C1
503127,C=CCN1CCc2c(CC1)sc(N)n2,210.10594,[M+H]+,20.0,test,C=CCN1CCc2nc(N)sc2CC1
503128,C=CCN1CCc2c(CC1)sc(N)n2,210.10594,[M+H]+,20.0,test,C=CCN1CCc2nc(N)sc2CC1
503129,C=CCN1CCc2c(CC1)sc(N)n2,210.10594,[M+H]+,60.0,test,C=CCN1CCc2nc(N)sc2CC1
503130,C=CCN1CCc2c(CC1)sc(N)n2,210.10594,[M+H]+,30.0,test,C=CCN1CCc2nc(N)sc2CC1
503131,C=CCN1CCc2c(CC1)sc(N)n2,210.10594,[M+H]+,20.0,test,C=CCN1CCc2nc(N)sc2CC1
503132,C=CCN1CCc2c(CC1)sc(N)n2,210.10594,[M+H]+,60.0,test,C=CCN1CCc2nc(N)sc2CC1
503133,C=CCN1CCc2c(CC1)sc(N)n2,210.10594,[M+H]+,30.0,test,C=CCN1CCc2nc(N)sc2CC1
503134,C=CCN1CCc2c(CC1)sc(N)n2,210.10594,[M+H]+,20.0,test,C=CCN1CCc2nc(N)sc2CC1
503135,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,300.05944,[M-H]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503136,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,300.05944,[M-H]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503137,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,300.05944,[M-H]-,60.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503138,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,300.05944,[M-H]-,30.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503139,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,300.05944,[M-H]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503140,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,300.05944,[M-H]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503141,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,300.05944,[M-H]-,30.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503142,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,300.05944,[M-H]-,60.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503143,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,336.03612,[M+Cl]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503144,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,336.03612,[M+Cl]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503145,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,336.03612,[M+Cl]-,15.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503146,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,346.06492,[M+FA]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503147,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,346.06492,[M+FA]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503148,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,346.06492,[M+FA]-,60.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503149,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,346.06492,[M+FA]-,15.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503150,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,346.06492,[M+FA]-,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503151,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,302.07399,[M+H]+,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503152,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,302.07399,[M+H]+,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503153,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,302.07399,[M+H]+,60.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503154,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,302.07399,[M+H]+,15.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503155,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1,302.07399,[M+H]+,20.0,test,NC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1
503156,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,195.1139,[M-H]-,20.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503157,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,195.1139,[M-H]-,20.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503158,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,195.1139,[M-H]-,60.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503159,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,195.1139,[M-H]-,15.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503160,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,195.1139,[M-H]-,20.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503161,Cc1nn(C(C)C)c(C)c1CC(=O)O,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)C)c(C)c1CC(=O)O
503162,Cc1nn(C(C)C)c(C)c1CC(=O)O,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)C)c(C)c1CC(=O)O
503163,Cc1nn(C(C)C)c(C)c1CC(=O)O,197.12845,[M+H]+,60.0,test,Cc1nn(C(C)C)c(C)c1CC(=O)O
503164,Cc1nn(C(C)C)c(C)c1CC(=O)O,197.12845,[M+H]+,30.0,test,Cc1nn(C(C)C)c(C)c1CC(=O)O
503165,Cc1nn(C(C)C)c(C)c1CC(=O)O,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)C)c(C)c1CC(=O)O
503166,Cc1nn(C(C)C)c(C)c1CC(=O)O,197.12845,[M+H]+,60.0,test,Cc1nn(C(C)C)c(C)c1CC(=O)O
503167,Cc1nn(C(C)C)c(C)c1CC(=O)O,197.12845,[M+H]+,30.0,test,Cc1nn(C(C)C)c(C)c1CC(=O)O
503168,Cc1nn(C(C)C)c(C)c1CC(=O)O,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)C)c(C)c1CC(=O)O
503169,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503170,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503171,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,15.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503172,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,60.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503173,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,30.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503174,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503175,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,15.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503176,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,60.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503177,CCc1c(C(=O)O)cnn1C(C)(C)C,197.12845,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1C(C)(C)C
503178,Cc1nn(C(C(=O)O)C(C)C)c(C)c1,197.12845,[M+H]+,20.0,test,Cc1cc(C)n(C(C(=O)O)C(C)C)n1
503179,Cc1nn(C(C(=O)O)C(C)C)c(C)c1,197.12845,[M+H]+,20.0,test,Cc1cc(C)n(C(C(=O)O)C(C)C)n1
503180,Cc1nn(C(C(=O)O)C(C)C)c(C)c1,197.12845,[M+H]+,60.0,test,Cc1cc(C)n(C(C(=O)O)C(C)C)n1
503181,Cc1nn(C(C(=O)O)C(C)C)c(C)c1,197.12845,[M+H]+,30.0,test,Cc1cc(C)n(C(C(=O)O)C(C)C)n1
503182,Cc1nn(C(C(=O)O)C(C)C)c(C)c1,197.12845,[M+H]+,20.0,test,Cc1cc(C)n(C(C(=O)O)C(C)C)n1
503183,Cc1nn(C(C(=O)O)C(C)C)c(C)c1,197.12845,[M+H]+,60.0,test,Cc1cc(C)n(C(C(=O)O)C(C)C)n1
503184,Cc1nn(C(C(=O)O)C(C)C)c(C)c1,197.12845,[M+H]+,30.0,test,Cc1cc(C)n(C(C(=O)O)C(C)C)n1
503185,Cc1nn(C(C(=O)O)C(C)C)c(C)c1,197.12845,[M+H]+,20.0,test,Cc1cc(C)n(C(C(=O)O)C(C)C)n1
503186,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503187,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503188,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,15.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503189,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503190,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,30.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503191,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503192,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503193,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,30.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503194,Cc1c(C(=O)O)cnn1C(C)C(C)C,197.12845,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C(C)C(C)C
503195,Cc1nn(C(C)(C)C)c(C)c1C(=O)O,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)(C)C)c(C)c1C(=O)O
503196,Cc1nn(C(C)(C)C)c(C)c1C(=O)O,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)(C)C)c(C)c1C(=O)O
503197,Cc1nn(C(C)(C)C)c(C)c1C(=O)O,197.12845,[M+H]+,60.0,test,Cc1nn(C(C)(C)C)c(C)c1C(=O)O
503198,Cc1nn(C(C)(C)C)c(C)c1C(=O)O,197.12845,[M+H]+,15.0,test,Cc1nn(C(C)(C)C)c(C)c1C(=O)O
503199,Cc1nn(C(C)(C)C)c(C)c1C(=O)O,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)(C)C)c(C)c1C(=O)O
503200,Cc1nn(C(C)(C)C)c(C)c1C(=O)O,197.12845,[M+H]+,60.0,test,Cc1nn(C(C)(C)C)c(C)c1C(=O)O
503201,Cc1nn(C(C)(C)C)c(C)c1C(=O)O,197.12845,[M+H]+,15.0,test,Cc1nn(C(C)(C)C)c(C)c1C(=O)O
503202,Cc1nn(C(C)(C)C)c(C)c1C(=O)O,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)(C)C)c(C)c1C(=O)O
503203,Cc1nn(C(C)CC(=O)O)c(C)c1C,179.11789,[M+H-H2O]+,20.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503204,Cc1nn(C(C)CC(=O)O)c(C)c1C,179.11789,[M+H-H2O]+,20.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503205,Cc1nn(C(C)CC(=O)O)c(C)c1C,179.11789,[M+H-H2O]+,60.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503206,Cc1nn(C(C)CC(=O)O)c(C)c1C,179.11789,[M+H-H2O]+,30.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503207,Cc1nn(C(C)CC(=O)O)c(C)c1C,179.11789,[M+H-H2O]+,20.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503208,Cc1nn(C(C)CC(=O)O)c(C)c1C,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503209,Cc1nn(C(C)CC(=O)O)c(C)c1C,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503210,Cc1nn(C(C)CC(=O)O)c(C)c1C,197.12845,[M+H]+,60.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503211,Cc1nn(C(C)CC(=O)O)c(C)c1C,197.12845,[M+H]+,30.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503212,Cc1nn(C(C)CC(=O)O)c(C)c1C,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503213,Cc1nn(C(C)CC(=O)O)c(C)c1C,197.12845,[M+H]+,60.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503214,Cc1nn(C(C)CC(=O)O)c(C)c1C,197.12845,[M+H]+,30.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503215,Cc1nn(C(C)CC(=O)O)c(C)c1C,197.12845,[M+H]+,20.0,test,Cc1nn(C(C)CC(=O)O)c(C)c1C
503216,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,197.12845,[M+H]+,20.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503217,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,197.12845,[M+H]+,20.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503218,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,197.12845,[M+H]+,60.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503219,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,197.12845,[M+H]+,30.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503220,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,197.12845,[M+H]+,20.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503221,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,197.12845,[M+H]+,60.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503222,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,197.12845,[M+H]+,30.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503223,CC(C)(C)Cc1c(CC(=O)O)[nH]nc1,197.12845,[M+H]+,20.0,test,CC(C)(C)Cc1cn[nH]c1CC(=O)O
503224,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,179.11789,[M+H-H2O]+,20.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503225,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,179.11789,[M+H-H2O]+,20.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503226,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,179.11789,[M+H-H2O]+,60.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503227,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,179.11789,[M+H-H2O]+,30.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503228,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,179.11789,[M+H-H2O]+,20.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503229,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,179.11789,[M+H-H2O]+,60.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503230,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,179.11789,[M+H-H2O]+,30.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503231,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,179.11789,[M+H-H2O]+,20.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503232,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,197.12845,[M+H]+,20.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503233,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,197.12845,[M+H]+,20.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503234,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,197.12845,[M+H]+,60.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503235,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,197.12845,[M+H]+,30.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503236,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,197.12845,[M+H]+,20.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503237,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,197.12845,[M+H]+,60.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503238,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,197.12845,[M+H]+,30.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503239,Cc1nn(C(C)C(C)C(=O)O)c(C)c1,197.12845,[M+H]+,20.0,test,Cc1cc(C)n(C(C)C(C)C(=O)O)n1
503240,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503241,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503242,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503243,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,30.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503244,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503245,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503246,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503247,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503248,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503249,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,45.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503250,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503251,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503252,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503253,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,30.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503254,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503255,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503256,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503257,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503258,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,30.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503259,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503260,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503261,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,30.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503262,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,243.08089,[M-H]-,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503263,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503264,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503265,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503266,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503267,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,45.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503268,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503269,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503270,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,227.08488,[M+H-H2O]+,45.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503271,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503272,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503273,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503274,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,30.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503275,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503276,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,60.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503277,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,30.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503278,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,245.09544,[M+H]+,20.0,test,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
503279,NC1CCCN(C(=O)C2CCC2)C1,183.14919,[M+H]+,20.0,test,NC1CCCN(C(=O)C2CCC2)C1
503280,NC1CCCN(C(=O)C2CCC2)C1,183.14919,[M+H]+,20.0,test,NC1CCCN(C(=O)C2CCC2)C1
503281,NC1CCCN(C(=O)C2CCC2)C1,183.14919,[M+H]+,60.0,test,NC1CCCN(C(=O)C2CCC2)C1
503282,NC1CCCN(C(=O)C2CCC2)C1,183.14919,[M+H]+,30.0,test,NC1CCCN(C(=O)C2CCC2)C1
503283,NC1CCCN(C(=O)C2CCC2)C1,183.14919,[M+H]+,20.0,test,NC1CCCN(C(=O)C2CCC2)C1
503284,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,272.00439,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503285,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,272.00439,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503286,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,272.00439,[M-H]-,60.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503287,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,272.00439,[M-H]-,15.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503288,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,272.00439,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503289,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,272.00439,[M-H]-,60.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503290,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,272.00439,[M-H]-,15.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503291,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,272.00439,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503292,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,274.01894,[M+H]+,45.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503293,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,274.01894,[M+H]+,45.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503294,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,274.01894,[M+H]+,20.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503295,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,274.01894,[M+H]+,60.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503296,O=C(O)c1c(C(F)F)n(-c2c(Cl)cccn2)nc1,274.01894,[M+H]+,45.0,test,O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)F
503297,O=C1NC(=S)S/C1=C/c1ccccc1[N+](=O)[O-],264.97471,[M-H]-,15.0,test,O=C1NC(=S)S/C1=C/c1ccccc1[N+](=O)[O-]
503298,O=C1NC(=S)S/C1=C/c1ccccc1[N+](=O)[O-],264.97471,[M-H]-,20.0,test,O=C1NC(=S)S/C1=C/c1ccccc1[N+](=O)[O-]
503299,O=C1NC(=S)S/C1=C/c1ccccc1[N+](=O)[O-],264.97471,[M-H]-,60.0,test,O=C1NC(=S)S/C1=C/c1ccccc1[N+](=O)[O-]
503300,O=C1NC(=S)S/C1=C/c1ccccc1[N+](=O)[O-],264.97471,[M-H]-,15.0,test,O=C1NC(=S)S/C1=C/c1ccccc1[N+](=O)[O-]
503301,O=C(O)C1=Cc2c(ccc(Cl)c2)OC1,209.0011,[M-H]-,20.0,test,O=C(O)C1=Cc2cc(Cl)ccc2OC1
503302,O=C(O)C1=Cc2c(ccc(Cl)c2)OC1,209.0011,[M-H]-,20.0,test,O=C(O)C1=Cc2cc(Cl)ccc2OC1
503303,O=C(O)C1=Cc2c(ccc(Cl)c2)OC1,209.0011,[M-H]-,15.0,test,O=C(O)C1=Cc2cc(Cl)ccc2OC1
503304,O=C(O)C1=Cc2c(ccc(Cl)c2)OC1,209.0011,[M-H]-,20.0,test,O=C(O)C1=Cc2cc(Cl)ccc2OC1
503305,O=C(O)C1=Cc2c(ccc(Cl)c2)OC1,209.0011,[M-H]-,15.0,test,O=C(O)C1=Cc2cc(Cl)ccc2OC1
503306,O=C(O)C1=Cc2c(ccc(Cl)c2)OC1,209.0011,[M-H]-,20.0,test,O=C(O)C1=Cc2cc(Cl)ccc2OC1
503307,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1,226.03212,[M-H]-,20.0,test,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1
503308,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1,226.03212,[M-H]-,20.0,test,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1
503309,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1,226.03212,[M-H]-,60.0,test,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1
503310,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1,226.03212,[M-H]-,30.0,test,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1
503311,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1,226.03212,[M-H]-,20.0,test,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1
503312,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1,226.03212,[M-H]-,60.0,test,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1
503313,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1,226.03212,[M-H]-,30.0,test,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1
503314,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1,226.03212,[M-H]-,20.0,test,O=C(O)c1cc2c(OC(F)F)cccc2[nH]1
503315,O=C(O)C1CC(c2c(F)ccc(F)c2)=NO1,226.03212,[M-H]-,20.0,test,O=C(O)C1CC(c2cc(F)ccc2F)=NO1
503316,O=C(O)C1CC(c2c(F)ccc(F)c2)=NO1,226.03212,[M-H]-,20.0,test,O=C(O)C1CC(c2cc(F)ccc2F)=NO1
503317,O=C(O)C1CC(c2c(F)ccc(F)c2)=NO1,226.03212,[M-H]-,60.0,test,O=C(O)C1CC(c2cc(F)ccc2F)=NO1
503318,O=C(O)C1CC(c2c(F)ccc(F)c2)=NO1,226.03212,[M-H]-,15.0,test,O=C(O)C1CC(c2cc(F)ccc2F)=NO1
503319,O=C(O)C1CC(c2c(F)ccc(F)c2)=NO1,226.03212,[M-H]-,20.0,test,O=C(O)C1CC(c2cc(F)ccc2F)=NO1
503320,O=C(O)C1CC(c2c(F)ccc(F)c2)=NO1,226.03212,[M-H]-,60.0,test,O=C(O)C1CC(c2cc(F)ccc2F)=NO1
503321,O=C(O)C1CC(c2c(F)ccc(F)c2)=NO1,226.03212,[M-H]-,15.0,test,O=C(O)C1CC(c2cc(F)ccc2F)=NO1
503322,O=C(O)C1CC(c2c(F)ccc(F)c2)=NO1,226.03212,[M-H]-,20.0,test,O=C(O)C1CC(c2cc(F)ccc2F)=NO1
503323,Cc1c(C(=O)O)oc2c1cccc2F,193.03065,[M-H]-,20.0,test,Cc1c(C(=O)O)oc2c(F)cccc12
503324,Cc1c(C(=O)O)oc2c1cccc2F,193.03065,[M-H]-,20.0,test,Cc1c(C(=O)O)oc2c(F)cccc12
503325,Cc1c(C(=O)O)oc2c1cccc2F,193.03065,[M-H]-,60.0,test,Cc1c(C(=O)O)oc2c(F)cccc12
503326,Cc1c(C(=O)O)oc2c1cccc2F,193.03065,[M-H]-,15.0,test,Cc1c(C(=O)O)oc2c(F)cccc12
503327,Cc1c(C(=O)O)oc2c1cccc2F,193.03065,[M-H]-,20.0,test,Cc1c(C(=O)O)oc2c(F)cccc12
503328,O=C(O)Cc1coc2c1ccc(F)c2,193.03065,[M-H]-,20.0,test,O=C(O)Cc1coc2cc(F)ccc12
503329,O=C(O)Cc1coc2c1ccc(F)c2,193.03065,[M-H]-,20.0,test,O=C(O)Cc1coc2cc(F)ccc12
503330,O=C(O)Cc1coc2c1ccc(F)c2,193.03065,[M-H]-,60.0,test,O=C(O)Cc1coc2cc(F)ccc12
503331,O=C(O)Cc1coc2c1ccc(F)c2,193.03065,[M-H]-,15.0,test,O=C(O)Cc1coc2cc(F)ccc12
503332,O=C(O)Cc1coc2c1ccc(F)c2,193.03065,[M-H]-,20.0,test,O=C(O)Cc1coc2cc(F)ccc12
503333,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1,314.96428,[M+H]+,20.0,test,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1
503334,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1,314.96428,[M+H]+,20.0,test,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1
503335,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1,314.96428,[M+H]+,60.0,test,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1
503336,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1,314.96428,[M+H]+,30.0,test,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1
503337,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1,314.96428,[M+H]+,20.0,test,Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1
503338,Cc1c2cccnc2c(O)c(Br)c1,237.9862,[M+H]+,20.0,test,Cc1cc(Br)c(O)c2ncccc12
503339,Cc1c2cccnc2c(O)c(Br)c1,237.9862,[M+H]+,20.0,test,Cc1cc(Br)c(O)c2ncccc12
503340,Cc1c2cccnc2c(O)c(Br)c1,237.9862,[M+H]+,60.0,test,Cc1cc(Br)c(O)c2ncccc12
503341,Cc1c2cccnc2c(O)c(Br)c1,237.9862,[M+H]+,20.0,test,Cc1cc(Br)c(O)c2ncccc12
503342,Cc1c2cccnc2c(O)c(Br)c1,237.9862,[M+H]+,60.0,test,Cc1cc(Br)c(O)c2ncccc12
503343,COC(=O)c1c[nH]c2cc(Br)ccc12,251.96657,[M-H]-,20.0,test,COC(=O)c1c[nH]c2cc(Br)ccc12
503344,COC(=O)c1c[nH]c2cc(Br)ccc12,251.96657,[M-H]-,20.0,test,COC(=O)c1c[nH]c2cc(Br)ccc12
503345,COC(=O)c1c[nH]c2cc(Br)ccc12,251.96657,[M-H]-,45.0,test,COC(=O)c1c[nH]c2cc(Br)ccc12
503346,COC(=O)c1c[nH]c2cc(Br)ccc12,251.96657,[M-H]-,60.0,test,COC(=O)c1c[nH]c2cc(Br)ccc12
503347,COC(=O)c1c[nH]c2cc(Br)ccc12,251.96657,[M-H]-,20.0,test,COC(=O)c1c[nH]c2cc(Br)ccc12
503348,COC(=O)c1c[nH]c2cc(Br)ccc12,251.96657,[M-H]-,45.0,test,COC(=O)c1c[nH]c2cc(Br)ccc12
503349,COC(=O)c1c[nH]c2cc(Br)ccc12,251.96657,[M-H]-,20.0,test,COC(=O)c1c[nH]c2cc(Br)ccc12
503350,COC(=O)c1c[nH]c2cc(Br)ccc12,251.96657,[M-H]-,60.0,test,COC(=O)c1c[nH]c2cc(Br)ccc12
503351,COC(=O)c1c[nH]c2ccc(Br)cc12,251.96657,[M-H]-,20.0,test,COC(=O)c1c[nH]c2ccc(Br)cc12
503352,COC(=O)c1c[nH]c2ccc(Br)cc12,251.96657,[M-H]-,20.0,test,COC(=O)c1c[nH]c2ccc(Br)cc12
503353,COC(=O)c1c[nH]c2ccc(Br)cc12,251.96657,[M-H]-,45.0,test,COC(=O)c1c[nH]c2ccc(Br)cc12
503354,COC(=O)c1c[nH]c2ccc(Br)cc12,251.96657,[M-H]-,60.0,test,COC(=O)c1c[nH]c2ccc(Br)cc12
503355,COC(=O)c1c[nH]c2ccc(Br)cc12,251.96657,[M-H]-,20.0,test,COC(=O)c1c[nH]c2ccc(Br)cc12
503356,COC(=O)c1c[nH]c2ccc(Br)cc12,251.96657,[M-H]-,45.0,test,COC(=O)c1c[nH]c2ccc(Br)cc12
503357,COC(=O)c1c[nH]c2ccc(Br)cc12,251.96657,[M-H]-,20.0,test,COC(=O)c1c[nH]c2ccc(Br)cc12
503358,COC(=O)c1c[nH]c2ccc(Br)cc12,251.96657,[M-H]-,60.0,test,COC(=O)c1c[nH]c2ccc(Br)cc12
503359,O=C(O)C1CC(c2cc(Br)ccc2)=NO1,267.96148,[M-H]-,20.0,test,O=C(O)C1CC(c2cccc(Br)c2)=NO1
503360,O=C(O)C1CC(c2cc(Br)ccc2)=NO1,267.96148,[M-H]-,20.0,test,O=C(O)C1CC(c2cccc(Br)c2)=NO1
503361,O=C(O)C1CC(c2cc(Br)ccc2)=NO1,267.96148,[M-H]-,60.0,test,O=C(O)C1CC(c2cccc(Br)c2)=NO1
503362,O=C(O)C1CC(c2cc(Br)ccc2)=NO1,267.96148,[M-H]-,15.0,test,O=C(O)C1CC(c2cccc(Br)c2)=NO1
503363,O=C(O)C1CC(c2cc(Br)ccc2)=NO1,267.96148,[M-H]-,20.0,test,O=C(O)C1CC(c2cccc(Br)c2)=NO1
503364,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,246.03835,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503365,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,246.03835,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503366,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,246.03835,[M-H]-,60.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503367,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,246.03835,[M-H]-,30.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503368,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,246.03835,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503369,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,246.03835,[M-H]-,60.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503370,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,246.03835,[M-H]-,30.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503371,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,246.03835,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503372,C[C@H](NC(=O)c1c(F)c(F)c(F)cc1)C(=O)O,246.03835,[M-H]-,20.0,test,C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)O
503373,C[C@H](NC(=O)c1c(F)c(F)c(F)cc1)C(=O)O,246.03835,[M-H]-,20.0,test,C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)O
503374,C[C@H](NC(=O)c1c(F)c(F)c(F)cc1)C(=O)O,246.03835,[M-H]-,15.0,test,C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)O
503375,C[C@H](NC(=O)c1c(F)c(F)c(F)cc1)C(=O)O,246.03835,[M-H]-,60.0,test,C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)O
503376,C[C@H](NC(=O)c1c(F)c(F)c(F)cc1)C(=O)O,246.03835,[M-H]-,30.0,test,C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)O
503377,C[C@H](NC(=O)c1c(F)c(F)c(F)cc1)C(=O)O,246.03835,[M-H]-,20.0,test,C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)O
503378,C[C@H](NC(=O)c1c(F)c(F)c(F)cc1)C(=O)O,246.03835,[M-H]-,60.0,test,C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)O
503379,C[C@H](NC(=O)c1c(F)c(F)c(F)cc1)C(=O)O,246.03835,[M-H]-,20.0,test,C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)O
503380,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,246.03835,[M-H]-,20.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503381,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,246.03835,[M-H]-,20.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503382,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,246.03835,[M-H]-,60.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503383,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,246.03835,[M-H]-,30.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503384,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,246.03835,[M-H]-,20.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503385,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,246.03835,[M-H]-,60.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503386,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,246.03835,[M-H]-,30.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503387,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,246.03835,[M-H]-,20.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503388,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,292.04383,[M+FA]-,20.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503389,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,292.04383,[M+FA]-,20.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503390,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,292.04383,[M+FA]-,60.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503391,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,292.04383,[M+FA]-,15.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503392,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1,292.04383,[M+FA]-,20.0,test,CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
503393,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,248.0529,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503394,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,248.0529,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503395,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,248.0529,[M+H]+,60.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503396,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,248.0529,[M+H]+,15.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503397,O=C(O)CNC(=O)c1ccccc1C(F)(F)F,248.0529,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccccc1C(F)(F)F
503398,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,240.05901,[M-H]-,20.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503399,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,240.05901,[M-H]-,20.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503400,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,240.05901,[M-H]-,60.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503401,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,240.05901,[M-H]-,15.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503402,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,240.05901,[M-H]-,20.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503403,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,240.05901,[M-H]-,60.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503404,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,240.05901,[M-H]-,15.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503405,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,240.05901,[M-H]-,20.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503406,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,242.07356,[M+H]+,20.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503407,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,242.07356,[M+H]+,20.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503408,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,242.07356,[M+H]+,60.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503409,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,242.07356,[M+H]+,30.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503410,Cc1nn(CC(=O)O)c2c1ccc(C(F)F)n2,242.07356,[M+H]+,20.0,test,Cc1nn(CC(=O)O)c2nc(C(F)F)ccc12
503411,O=C(O)CCc1nc2c(cccc2F)[nH]1,207.05753,[M-H]-,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503412,O=C(O)CCc1nc2c(cccc2F)[nH]1,207.05753,[M-H]-,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503413,O=C(O)CCc1nc2c(cccc2F)[nH]1,207.05753,[M-H]-,60.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503414,O=C(O)CCc1nc2c(cccc2F)[nH]1,207.05753,[M-H]-,30.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503415,O=C(O)CCc1nc2c(cccc2F)[nH]1,207.05753,[M-H]-,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503416,O=C(O)CCc1nc2c(cccc2F)[nH]1,207.05753,[M-H]-,60.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503417,O=C(O)CCc1nc2c(cccc2F)[nH]1,207.05753,[M-H]-,30.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503418,O=C(O)CCc1nc2c(cccc2F)[nH]1,207.05753,[M-H]-,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503419,O=C(O)CCc1nc2c(cccc2F)[nH]1,191.06152,[M+H-H2O]+,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503420,O=C(O)CCc1nc2c(cccc2F)[nH]1,191.06152,[M+H-H2O]+,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503421,O=C(O)CCc1nc2c(cccc2F)[nH]1,191.06152,[M+H-H2O]+,60.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503422,O=C(O)CCc1nc2c(cccc2F)[nH]1,191.06152,[M+H-H2O]+,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503423,O=C(O)CCc1nc2c(cccc2F)[nH]1,191.06152,[M+H-H2O]+,45.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503424,O=C(O)CCc1nc2c(cccc2F)[nH]1,191.06152,[M+H-H2O]+,60.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503425,O=C(O)CCc1nc2c(cccc2F)[nH]1,191.06152,[M+H-H2O]+,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503426,O=C(O)CCc1nc2c(cccc2F)[nH]1,191.06152,[M+H-H2O]+,45.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503427,O=C(O)CCc1nc2c(cccc2F)[nH]1,209.07208,[M+H]+,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503428,O=C(O)CCc1nc2c(cccc2F)[nH]1,209.07208,[M+H]+,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503429,O=C(O)CCc1nc2c(cccc2F)[nH]1,209.07208,[M+H]+,60.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503430,O=C(O)CCc1nc2c(cccc2F)[nH]1,209.07208,[M+H]+,30.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503431,O=C(O)CCc1nc2c(cccc2F)[nH]1,209.07208,[M+H]+,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503432,O=C(O)CCc1nc2c(cccc2F)[nH]1,209.07208,[M+H]+,60.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503433,O=C(O)CCc1nc2c(cccc2F)[nH]1,209.07208,[M+H]+,30.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503434,O=C(O)CCc1nc2c(cccc2F)[nH]1,209.07208,[M+H]+,20.0,test,O=C(O)CCc1nc2c(F)cccc2[nH]1
503435,CC1SC(N/N=C/c2cc(Br)ccc2)=NC1=O,309.96552,[M-H]-,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503436,CC1SC(N/N=C/c2cc(Br)ccc2)=NC1=O,309.96552,[M-H]-,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503437,CC1SC(N/N=C/c2cc(Br)ccc2)=NC1=O,309.96552,[M-H]-,30.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503438,CC1SC(N/N=C/c2cc(Br)ccc2)=NC1=O,309.96552,[M-H]-,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503439,CC1SC(N/N=C/c2cc(Br)ccc2)=NC1=O,311.98007,[M+H]+,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503440,CC1SC(N/N=C/c2cc(Br)ccc2)=NC1=O,311.98007,[M+H]+,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503441,CC1SC(N/N=C/c2cc(Br)ccc2)=NC1=O,311.98007,[M+H]+,30.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503442,CC1SC(N/N=C/c2cc(Br)ccc2)=NC1=O,311.98007,[M+H]+,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503443,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,309.96552,[M-H]-,20.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503444,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,309.96552,[M-H]-,20.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503445,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,309.96552,[M-H]-,45.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503446,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,309.96552,[M-H]-,60.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503447,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,309.96552,[M-H]-,20.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503448,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O,309.96552,[M-H]-,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503449,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O,309.96552,[M-H]-,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503450,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O,309.96552,[M-H]-,60.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503451,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O,309.96552,[M-H]-,30.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503452,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O,309.96552,[M-H]-,20.0,test,CC1SC(N/N=C/c2cccc(Br)c2)=NC1=O
503453,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,311.98007,[M+H]+,20.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503454,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,311.98007,[M+H]+,20.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503455,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,311.98007,[M+H]+,60.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503456,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,311.98007,[M+H]+,30.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503457,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1,311.98007,[M+H]+,20.0,test,C/C(=N\NC1=NC(=O)CS1)c1ccc(Br)cc1
503458,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,281.97713,[M-H]-,20.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503459,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,281.97713,[M-H]-,20.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503460,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,281.97713,[M-H]-,60.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503461,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,281.97713,[M-H]-,30.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503462,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,281.97713,[M-H]-,20.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503463,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,281.97713,[M-H]-,20.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503464,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,281.97713,[M-H]-,30.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503465,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,281.97713,[M-H]-,60.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503466,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,283.99168,[M+H]+,20.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503467,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,283.99168,[M+H]+,20.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503468,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,283.99168,[M+H]+,60.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503469,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,283.99168,[M+H]+,30.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503470,O=C(O)C1CC(=O)N(c2ccccc2Br)C1,283.99168,[M+H]+,20.0,test,O=C(O)C1CC(=O)N(c2ccccc2Br)C1
503471,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,310.0171,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503472,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,310.0171,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503473,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,310.0171,[M-H]-,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503474,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,310.0171,[M-H]-,15.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503475,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,310.0171,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503476,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,310.0171,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503477,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,310.0171,[M-H]-,15.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503478,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,310.0171,[M-H]-,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503479,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,312.03165,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503480,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,312.03165,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503481,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,312.03165,[M+H]+,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503482,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,312.03165,[M+H]+,15.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503483,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,312.03165,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503484,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,312.03165,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503485,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,312.03165,[M+H]+,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503486,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O,312.03165,[M+H]+,15.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O
503487,CN(CC(=O)O)C(=O)c1cc(C(F)(F)F)ccc1,260.054,[M-H]-,20.0,test,CN(CC(=O)O)C(=O)c1cccc(C(F)(F)F)c1
503488,CN(CC(=O)O)C(=O)c1cc(C(F)(F)F)ccc1,260.054,[M-H]-,20.0,test,CN(CC(=O)O)C(=O)c1cccc(C(F)(F)F)c1
503489,CN(CC(=O)O)C(=O)c1cc(C(F)(F)F)ccc1,260.054,[M-H]-,60.0,test,CN(CC(=O)O)C(=O)c1cccc(C(F)(F)F)c1
503490,CN(CC(=O)O)C(=O)c1cc(C(F)(F)F)ccc1,260.054,[M-H]-,30.0,test,CN(CC(=O)O)C(=O)c1cccc(C(F)(F)F)c1
503491,CN(CC(=O)O)C(=O)c1cc(C(F)(F)F)ccc1,260.054,[M-H]-,20.0,test,CN(CC(=O)O)C(=O)c1cccc(C(F)(F)F)c1
503492,CN(CC(=O)O)C(=O)c1cc(C(F)(F)F)ccc1,260.054,[M-H]-,60.0,test,CN(CC(=O)O)C(=O)c1cccc(C(F)(F)F)c1
503493,CN(CC(=O)O)C(=O)c1cc(C(F)(F)F)ccc1,260.054,[M-H]-,30.0,test,CN(CC(=O)O)C(=O)c1cccc(C(F)(F)F)c1
503494,CN(CC(=O)O)C(=O)c1cc(C(F)(F)F)ccc1,260.054,[M-H]-,20.0,test,CN(CC(=O)O)C(=O)c1cccc(C(F)(F)F)c1
503495,CCc1nc(C(=O)O)nn1-c1ccccc1F,236.08298,[M+H]+,20.0,test,CCc1nc(C(=O)O)nn1-c1ccccc1F
503496,CCc1nc(C(=O)O)nn1-c1ccccc1F,236.08298,[M+H]+,20.0,test,CCc1nc(C(=O)O)nn1-c1ccccc1F
503497,CCc1nc(C(=O)O)nn1-c1ccccc1F,236.08298,[M+H]+,60.0,test,CCc1nc(C(=O)O)nn1-c1ccccc1F
503498,CCc1nc(C(=O)O)nn1-c1ccccc1F,236.08298,[M+H]+,20.0,test,CCc1nc(C(=O)O)nn1-c1ccccc1F
503499,CCc1nc(C(=O)O)nn1-c1ccccc1F,236.08298,[M+H]+,60.0,test,CCc1nc(C(=O)O)nn1-c1ccccc1F
503500,CCc1nc(C(=O)O)nn1-c1ccccc1F,236.08298,[M+H]+,20.0,test,CCc1nc(C(=O)O)nn1-c1ccccc1F
503501,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1,236.08298,[M+H]+,20.0,test,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1
503502,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1,236.08298,[M+H]+,20.0,test,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1
503503,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1,236.08298,[M+H]+,60.0,test,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1
503504,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1,236.08298,[M+H]+,30.0,test,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1
503505,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1,236.08298,[M+H]+,20.0,test,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1
503506,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1,236.08298,[M+H]+,60.0,test,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1
503507,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1,236.08298,[M+H]+,30.0,test,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1
503508,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1,236.08298,[M+H]+,20.0,test,Cc1c(C(=O)O)nnn1Cc1ccc(F)cc1
503509,Cn1nc(-c2ccccc2)cc1C(=O)O,201.06695,[M-H]-,20.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503510,Cn1nc(-c2ccccc2)cc1C(=O)O,201.06695,[M-H]-,20.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503511,Cn1nc(-c2ccccc2)cc1C(=O)O,201.06695,[M-H]-,60.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503512,Cn1nc(-c2ccccc2)cc1C(=O)O,201.06695,[M-H]-,15.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503513,Cn1nc(-c2ccccc2)cc1C(=O)O,201.06695,[M-H]-,20.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503514,O=C(O)Cn1cncc1-c1ccccc1,201.06695,[M-H]-,20.0,test,O=C(O)Cn1cncc1-c1ccccc1
503515,O=C(O)Cn1cncc1-c1ccccc1,201.06695,[M-H]-,20.0,test,O=C(O)Cn1cncc1-c1ccccc1
503516,O=C(O)Cn1cncc1-c1ccccc1,201.06695,[M-H]-,60.0,test,O=C(O)Cn1cncc1-c1ccccc1
503517,O=C(O)Cn1cncc1-c1ccccc1,201.06695,[M-H]-,15.0,test,O=C(O)Cn1cncc1-c1ccccc1
503518,O=C(O)Cn1cncc1-c1ccccc1,201.06695,[M-H]-,20.0,test,O=C(O)Cn1cncc1-c1ccccc1
503519,O=C(O)Cn1cncc1-c1ccccc1,201.06695,[M-H]-,60.0,test,O=C(O)Cn1cncc1-c1ccccc1
503520,O=C(O)Cn1cncc1-c1ccccc1,201.06695,[M-H]-,15.0,test,O=C(O)Cn1cncc1-c1ccccc1
503521,O=C(O)Cn1cncc1-c1ccccc1,201.06695,[M-H]-,20.0,test,O=C(O)Cn1cncc1-c1ccccc1
503522,O=C(O)Cc1cn(-c2ccccc2)nc1,201.06695,[M-H]-,20.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503523,O=C(O)Cc1cn(-c2ccccc2)nc1,201.06695,[M-H]-,20.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503524,O=C(O)Cc1cn(-c2ccccc2)nc1,201.06695,[M-H]-,60.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503525,O=C(O)Cc1cn(-c2ccccc2)nc1,201.06695,[M-H]-,15.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503526,O=C(O)Cc1cn(-c2ccccc2)nc1,201.06695,[M-H]-,20.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503527,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,201.06695,[M-H]-,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503528,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,201.06695,[M-H]-,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503529,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,201.06695,[M-H]-,60.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503530,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,201.06695,[M-H]-,15.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503531,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,201.06695,[M-H]-,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503532,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,201.06695,[M-H]-,60.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503533,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,201.06695,[M-H]-,15.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503534,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,201.06695,[M-H]-,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503535,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,201.06695,[M-H]-,20.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503536,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,201.06695,[M-H]-,20.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503537,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,201.06695,[M-H]-,60.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503538,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,201.06695,[M-H]-,15.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503539,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,201.06695,[M-H]-,20.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503540,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,20.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503541,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,20.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503542,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,60.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503543,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,30.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503544,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,20.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503545,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,60.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503546,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,30.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503547,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,20.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503548,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,201.06695,[M-H]-,20.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503549,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,201.06695,[M-H]-,20.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503550,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,201.06695,[M-H]-,60.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503551,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,201.06695,[M-H]-,30.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503552,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,201.06695,[M-H]-,20.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503553,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,20.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503554,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,20.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503555,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,60.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503556,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,30.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503557,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,20.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503558,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,60.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503559,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,30.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503560,N#Cc1ccccc1N1CC(C(=O)O)C1,201.06695,[M-H]-,20.0,test,N#Cc1ccccc1N1CC(C(=O)O)C1
503561,O=C(O)c1cn2cc(C3CC3)nc2cc1,201.06695,[M-H]-,20.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503562,O=C(O)c1cn2cc(C3CC3)nc2cc1,201.06695,[M-H]-,20.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503563,O=C(O)c1cn2cc(C3CC3)nc2cc1,201.06695,[M-H]-,60.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503564,O=C(O)c1cn2cc(C3CC3)nc2cc1,201.06695,[M-H]-,30.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503565,O=C(O)c1cn2cc(C3CC3)nc2cc1,201.06695,[M-H]-,20.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503566,O=C(O)c1n[nH]c(Cc2ccccc2)c1,201.06695,[M-H]-,15.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503567,O=C(O)c1n[nH]c(Cc2ccccc2)c1,201.06695,[M-H]-,15.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503568,O=C(O)c1n[nH]c(Cc2ccccc2)c1,201.06695,[M-H]-,20.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503569,O=C(O)c1n[nH]c(Cc2ccccc2)c1,201.06695,[M-H]-,60.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503570,O=C(O)c1n[nH]c(Cc2ccccc2)c1,201.06695,[M-H]-,15.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503571,O=C(O)Cn1ccc(-c2ccccc2)n1,201.06695,[M-H]-,20.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503572,O=C(O)Cn1ccc(-c2ccccc2)n1,201.06695,[M-H]-,20.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503573,O=C(O)Cn1ccc(-c2ccccc2)n1,201.06695,[M-H]-,60.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503574,O=C(O)Cn1ccc(-c2ccccc2)n1,201.06695,[M-H]-,15.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503575,O=C(O)Cn1ccc(-c2ccccc2)n1,201.06695,[M-H]-,20.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503576,Cc1nnc2ccc(C(=O)O)cc2c1C,201.06695,[M-H]-,20.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503577,Cc1nnc2ccc(C(=O)O)cc2c1C,201.06695,[M-H]-,20.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503578,Cc1nnc2ccc(C(=O)O)cc2c1C,201.06695,[M-H]-,60.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503579,Cc1nnc2ccc(C(=O)O)cc2c1C,201.06695,[M-H]-,30.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503580,Cc1nnc2ccc(C(=O)O)cc2c1C,201.06695,[M-H]-,20.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503581,Cc1nnc2ccc(C(=O)O)cc2c1C,201.06695,[M-H]-,60.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503582,Cc1nnc2ccc(C(=O)O)cc2c1C,201.06695,[M-H]-,30.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503583,Cc1nnc2ccc(C(=O)O)cc2c1C,201.06695,[M-H]-,20.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503584,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,201.06695,[M-H]-,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503585,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,201.06695,[M-H]-,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503586,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,201.06695,[M-H]-,60.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503587,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,201.06695,[M-H]-,15.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503588,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,201.06695,[M-H]-,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503589,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,201.06695,[M-H]-,60.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503590,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,201.06695,[M-H]-,15.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503591,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,201.06695,[M-H]-,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503592,Cc1nn(-c2ccccc2C(=O)O)cc1,201.06695,[M-H]-,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503593,Cc1nn(-c2ccccc2C(=O)O)cc1,201.06695,[M-H]-,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503594,Cc1nn(-c2ccccc2C(=O)O)cc1,201.06695,[M-H]-,60.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503595,Cc1nn(-c2ccccc2C(=O)O)cc1,201.06695,[M-H]-,15.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503596,Cc1nn(-c2ccccc2C(=O)O)cc1,201.06695,[M-H]-,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503597,Cc1nn(-c2cccc(C(=O)O)c2)cc1,201.06695,[M-H]-,20.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503598,Cc1nn(-c2cccc(C(=O)O)c2)cc1,201.06695,[M-H]-,20.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503599,Cc1nn(-c2cccc(C(=O)O)c2)cc1,201.06695,[M-H]-,60.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503600,Cc1nn(-c2cccc(C(=O)O)c2)cc1,201.06695,[M-H]-,30.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503601,Cc1nn(-c2cccc(C(=O)O)c2)cc1,201.06695,[M-H]-,20.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503602,Cn1cc(-c2cc(C(=O)O)ccc2)cn1,203.0815,[M+H]+,20.0,test,Cn1cc(-c2cccc(C(=O)O)c2)cn1
503603,Cn1cc(-c2cc(C(=O)O)ccc2)cn1,203.0815,[M+H]+,20.0,test,Cn1cc(-c2cccc(C(=O)O)c2)cn1
503604,Cn1cc(-c2cc(C(=O)O)ccc2)cn1,203.0815,[M+H]+,60.0,test,Cn1cc(-c2cccc(C(=O)O)c2)cn1
503605,Cn1cc(-c2cc(C(=O)O)ccc2)cn1,203.0815,[M+H]+,20.0,test,Cn1cc(-c2cccc(C(=O)O)c2)cn1
503606,Cn1cc(-c2cc(C(=O)O)ccc2)cn1,203.0815,[M+H]+,45.0,test,Cn1cc(-c2cccc(C(=O)O)c2)cn1
503607,Cn1cc(-c2cc(C(=O)O)ccc2)cn1,203.0815,[M+H]+,60.0,test,Cn1cc(-c2cccc(C(=O)O)c2)cn1
503608,Cn1cc(-c2cc(C(=O)O)ccc2)cn1,203.0815,[M+H]+,20.0,test,Cn1cc(-c2cccc(C(=O)O)c2)cn1
503609,Cn1cc(-c2cc(C(=O)O)ccc2)cn1,203.0815,[M+H]+,45.0,test,Cn1cc(-c2cccc(C(=O)O)c2)cn1
503610,O=C(O)c1cn2cc(C3CC3)nc2cc1,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503611,O=C(O)c1cn2cc(C3CC3)nc2cc1,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503612,O=C(O)c1cn2cc(C3CC3)nc2cc1,203.0815,[M+H]+,60.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503613,O=C(O)c1cn2cc(C3CC3)nc2cc1,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503614,O=C(O)c1cn2cc(C3CC3)nc2cc1,203.0815,[M+H]+,45.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503615,O=C(O)c1cn2cc(C3CC3)nc2cc1,203.0815,[M+H]+,60.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503616,O=C(O)c1cn2cc(C3CC3)nc2cc1,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503617,O=C(O)c1cn2cc(C3CC3)nc2cc1,203.0815,[M+H]+,45.0,test,O=C(O)c1ccc2nc(C3CC3)cn2c1
503618,O=C(O)c1cc2c(cc1)nc1CCCn12,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc2nc3n(c2c1)CCC3
503619,O=C(O)c1cc2c(cc1)nc1CCCn12,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc2nc3n(c2c1)CCC3
503620,O=C(O)c1cc2c(cc1)nc1CCCn12,203.0815,[M+H]+,60.0,test,O=C(O)c1ccc2nc3n(c2c1)CCC3
503621,O=C(O)c1cc2c(cc1)nc1CCCn12,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc2nc3n(c2c1)CCC3
503622,O=C(O)c1cc2c(cc1)nc1CCCn12,203.0815,[M+H]+,60.0,test,O=C(O)c1ccc2nc3n(c2c1)CCC3
503623,O=C(O)c1cc2c(cc1)nc1CCCn12,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc2nc3n(c2c1)CCC3
503624,O=C(O)c1cccn1Cc1cnccc1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1cccnc1
503625,O=C(O)c1cccn1Cc1cnccc1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1cccnc1
503626,O=C(O)c1cccn1Cc1cnccc1,203.0815,[M+H]+,60.0,test,O=C(O)c1cccn1Cc1cccnc1
503627,O=C(O)c1cccn1Cc1cnccc1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1cccnc1
503628,O=C(O)c1cccn1Cc1cnccc1,203.0815,[M+H]+,45.0,test,O=C(O)c1cccn1Cc1cccnc1
503629,O=C(O)c1cccn1Cc1cnccc1,203.0815,[M+H]+,60.0,test,O=C(O)c1cccn1Cc1cccnc1
503630,O=C(O)c1cccn1Cc1cnccc1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1cccnc1
503631,O=C(O)c1cccn1Cc1cnccc1,203.0815,[M+H]+,45.0,test,O=C(O)c1cccn1Cc1cccnc1
503632,Cn1nc(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,20.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503633,Cn1nc(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,20.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503634,Cn1nc(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,60.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503635,Cn1nc(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,20.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503636,Cn1nc(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,45.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503637,Cn1nc(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,60.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503638,Cn1nc(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,20.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503639,Cn1nc(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,45.0,test,Cn1nc(-c2ccccc2)cc1C(=O)O
503640,CNc1nc2ccccc2c(C(=O)O)c1,203.0815,[M+H]+,20.0,test,CNc1cc(C(=O)O)c2ccccc2n1
503641,CNc1nc2ccccc2c(C(=O)O)c1,203.0815,[M+H]+,20.0,test,CNc1cc(C(=O)O)c2ccccc2n1
503642,CNc1nc2ccccc2c(C(=O)O)c1,203.0815,[M+H]+,60.0,test,CNc1cc(C(=O)O)c2ccccc2n1
503643,CNc1nc2ccccc2c(C(=O)O)c1,203.0815,[M+H]+,20.0,test,CNc1cc(C(=O)O)c2ccccc2n1
503644,CNc1nc2ccccc2c(C(=O)O)c1,203.0815,[M+H]+,45.0,test,CNc1cc(C(=O)O)c2ccccc2n1
503645,O=C(O)Cc1cn(-c2ccccc2)nc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503646,O=C(O)Cc1cn(-c2ccccc2)nc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503647,O=C(O)Cc1cn(-c2ccccc2)nc1,203.0815,[M+H]+,60.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503648,O=C(O)Cc1cn(-c2ccccc2)nc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503649,O=C(O)Cc1cn(-c2ccccc2)nc1,203.0815,[M+H]+,45.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503650,O=C(O)Cc1cn(-c2ccccc2)nc1,203.0815,[M+H]+,60.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503651,O=C(O)Cc1cn(-c2ccccc2)nc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503652,O=C(O)Cc1cn(-c2ccccc2)nc1,203.0815,[M+H]+,45.0,test,O=C(O)Cc1cnn(-c2ccccc2)c1
503653,Cc1ccccc1-n1cc(C(=O)O)cn1,203.0815,[M+H]+,20.0,test,Cc1ccccc1-n1cc(C(=O)O)cn1
503654,Cc1ccccc1-n1cc(C(=O)O)cn1,203.0815,[M+H]+,20.0,test,Cc1ccccc1-n1cc(C(=O)O)cn1
503655,Cc1ccccc1-n1cc(C(=O)O)cn1,203.0815,[M+H]+,60.0,test,Cc1ccccc1-n1cc(C(=O)O)cn1
503656,Cc1ccccc1-n1cc(C(=O)O)cn1,203.0815,[M+H]+,20.0,test,Cc1ccccc1-n1cc(C(=O)O)cn1
503657,Cc1ccccc1-n1cc(C(=O)O)cn1,203.0815,[M+H]+,45.0,test,Cc1ccccc1-n1cc(C(=O)O)cn1
503658,Cc1ccccc1-n1cc(C(=O)O)cn1,203.0815,[M+H]+,60.0,test,Cc1ccccc1-n1cc(C(=O)O)cn1
503659,Cc1ccccc1-n1cc(C(=O)O)cn1,203.0815,[M+H]+,20.0,test,Cc1ccccc1-n1cc(C(=O)O)cn1
503660,Cc1ccccc1-n1cc(C(=O)O)cn1,203.0815,[M+H]+,45.0,test,Cc1ccccc1-n1cc(C(=O)O)cn1
503661,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,185.07094,[M+H-H2O]+,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503662,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,185.07094,[M+H-H2O]+,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503663,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,185.07094,[M+H-H2O]+,60.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503664,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,185.07094,[M+H-H2O]+,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503665,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,185.07094,[M+H-H2O]+,45.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503666,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,203.0815,[M+H]+,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503667,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,203.0815,[M+H]+,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503668,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,203.0815,[M+H]+,60.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503669,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,203.0815,[M+H]+,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503670,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,203.0815,[M+H]+,60.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503671,Cc1ccccc1-c1n[nH]c(C(=O)O)c1,203.0815,[M+H]+,20.0,test,Cc1ccccc1-c1cc(C(=O)O)[nH]n1
503672,O=C(O)Cn1ccc(-c2ccccc2)n1,203.0815,[M+H]+,20.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503673,O=C(O)Cn1ccc(-c2ccccc2)n1,203.0815,[M+H]+,20.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503674,O=C(O)Cn1ccc(-c2ccccc2)n1,203.0815,[M+H]+,60.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503675,O=C(O)Cn1ccc(-c2ccccc2)n1,203.0815,[M+H]+,30.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503676,O=C(O)Cn1ccc(-c2ccccc2)n1,203.0815,[M+H]+,20.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503677,O=C(O)Cn1ccc(-c2ccccc2)n1,203.0815,[M+H]+,60.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503678,O=C(O)Cn1ccc(-c2ccccc2)n1,203.0815,[M+H]+,30.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503679,O=C(O)Cn1ccc(-c2ccccc2)n1,203.0815,[M+H]+,20.0,test,O=C(O)Cn1ccc(-c2ccccc2)n1
503680,Cc1c(C(=O)O)cnn1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1
503681,Cc1c(C(=O)O)cnn1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1
503682,Cc1c(C(=O)O)cnn1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1
503683,Cc1c(C(=O)O)cnn1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1
503684,Cc1c(C(=O)O)cnn1-c1ccccc1,203.0815,[M+H]+,45.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1
503685,Cc1c(C(=O)O)cnn1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1
503686,Cc1c(C(=O)O)cnn1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1
503687,Cc1c(C(=O)O)cnn1-c1ccccc1,203.0815,[M+H]+,45.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1
503688,Cc1c(-n2cccn2)ccc(C(=O)O)c1,203.0815,[M+H]+,20.0,test,Cc1cc(C(=O)O)ccc1-n1cccn1
503689,Cc1c(-n2cccn2)ccc(C(=O)O)c1,203.0815,[M+H]+,20.0,test,Cc1cc(C(=O)O)ccc1-n1cccn1
503690,Cc1c(-n2cccn2)ccc(C(=O)O)c1,203.0815,[M+H]+,60.0,test,Cc1cc(C(=O)O)ccc1-n1cccn1
503691,Cc1c(-n2cccn2)ccc(C(=O)O)c1,203.0815,[M+H]+,20.0,test,Cc1cc(C(=O)O)ccc1-n1cccn1
503692,Cc1c(-n2cccn2)ccc(C(=O)O)c1,203.0815,[M+H]+,45.0,test,Cc1cc(C(=O)O)ccc1-n1cccn1
503693,Cc1c(-n2cccn2)ccc(C(=O)O)c1,203.0815,[M+H]+,60.0,test,Cc1cc(C(=O)O)ccc1-n1cccn1
503694,Cc1c(-n2cccn2)ccc(C(=O)O)c1,203.0815,[M+H]+,20.0,test,Cc1cc(C(=O)O)ccc1-n1cccn1
503695,Cc1c(-n2cccn2)ccc(C(=O)O)c1,203.0815,[M+H]+,45.0,test,Cc1cc(C(=O)O)ccc1-n1cccn1
503696,Cn1cc(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,20.0,test,Cn1cc(-c2ccccc2)nc1C(=O)O
503697,Cn1cc(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,20.0,test,Cn1cc(-c2ccccc2)nc1C(=O)O
503698,Cn1cc(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,60.0,test,Cn1cc(-c2ccccc2)nc1C(=O)O
503699,Cn1cc(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,20.0,test,Cn1cc(-c2ccccc2)nc1C(=O)O
503700,Cn1cc(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,45.0,test,Cn1cc(-c2ccccc2)nc1C(=O)O
503701,Cn1cc(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,60.0,test,Cn1cc(-c2ccccc2)nc1C(=O)O
503702,Cn1cc(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,20.0,test,Cn1cc(-c2ccccc2)nc1C(=O)O
503703,Cn1cc(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,45.0,test,Cn1cc(-c2ccccc2)nc1C(=O)O
503704,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503705,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503706,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,185.07094,[M+H-H2O]+,60.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503707,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,185.07094,[M+H-H2O]+,30.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503708,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503709,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,185.07094,[M+H-H2O]+,45.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503710,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,185.07094,[M+H-H2O]+,60.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503711,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503712,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503713,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503714,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503715,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,30.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503716,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503717,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,45.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503718,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503719,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503720,Cc1c(C(=O)O)[nH]nc1-c1ccccc1,203.0815,[M+H]+,45.0,test,Cc1c(-c2ccccc2)n[nH]c1C(=O)O
503721,Cc1cc(C(=O)O)nn1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503722,Cc1cc(C(=O)O)nn1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503723,Cc1cc(C(=O)O)nn1-c1ccccc1,185.07094,[M+H-H2O]+,60.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503724,Cc1cc(C(=O)O)nn1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503725,Cc1cc(C(=O)O)nn1-c1ccccc1,185.07094,[M+H-H2O]+,45.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503726,Cc1cc(C(=O)O)nn1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503727,Cc1cc(C(=O)O)nn1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503728,Cc1cc(C(=O)O)nn1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503729,Cc1cc(C(=O)O)nn1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503730,Cc1cc(C(=O)O)nn1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503731,Cc1cc(C(=O)O)nn1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503732,Cc1cc(C(=O)O)nn1-c1ccccc1,225.06345,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503733,Cc1cc(C(=O)O)nn1-c1ccccc1,225.06345,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503734,Cc1cc(C(=O)O)nn1-c1ccccc1,225.06345,[M+Na]+,60.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503735,Cc1cc(C(=O)O)nn1-c1ccccc1,225.06345,[M+Na]+,15.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503736,Cc1cc(C(=O)O)nn1-c1ccccc1,225.06345,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccccc1
503737,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503738,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503739,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,30.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503740,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503741,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503742,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,45.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503743,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503744,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503745,Cn1ncc(C(=O)O)c1-c1ccccc1,203.0815,[M+H]+,45.0,test,Cn1ncc(C(=O)O)c1-c1ccccc1
503746,Cc1cn(-c2ccccc2)nc1C(=O)O,185.07094,[M+H-H2O]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503747,Cc1cn(-c2ccccc2)nc1C(=O)O,185.07094,[M+H-H2O]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503748,Cc1cn(-c2ccccc2)nc1C(=O)O,185.07094,[M+H-H2O]+,60.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503749,Cc1cn(-c2ccccc2)nc1C(=O)O,185.07094,[M+H-H2O]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503750,Cc1cn(-c2ccccc2)nc1C(=O)O,185.07094,[M+H-H2O]+,45.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503751,Cc1cn(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503752,Cc1cn(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503753,Cc1cn(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,60.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503754,Cc1cn(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503755,Cc1cn(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,45.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503756,Cc1cn(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,60.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503757,Cc1cn(-c2ccccc2)nc1C(=O)O,203.0815,[M+H]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503758,Cc1cn(-c2ccccc2)nc1C(=O)O,225.06345,[M+Na]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503759,Cc1cn(-c2ccccc2)nc1C(=O)O,225.06345,[M+Na]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503760,Cc1cn(-c2ccccc2)nc1C(=O)O,225.06345,[M+Na]+,60.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503761,Cc1cn(-c2ccccc2)nc1C(=O)O,225.06345,[M+Na]+,15.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503762,Cc1cn(-c2ccccc2)nc1C(=O)O,225.06345,[M+Na]+,20.0,test,Cc1cn(-c2ccccc2)nc1C(=O)O
503763,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503764,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503765,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,203.0815,[M+H]+,60.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503766,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503767,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,203.0815,[M+H]+,45.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503768,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,203.0815,[M+H]+,60.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503769,Cc1cc(C(=O)O)c(-n2ccnc2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccc(-n2ccnc2)c(C(=O)O)c1
503770,O=C(O)c1n[nH]c(Cc2ccccc2)c1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503771,O=C(O)c1n[nH]c(Cc2ccccc2)c1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503772,O=C(O)c1n[nH]c(Cc2ccccc2)c1,185.07094,[M+H-H2O]+,60.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503773,O=C(O)c1n[nH]c(Cc2ccccc2)c1,185.07094,[M+H-H2O]+,15.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503774,O=C(O)c1n[nH]c(Cc2ccccc2)c1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503775,O=C(O)c1n[nH]c(Cc2ccccc2)c1,203.0815,[M+H]+,20.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503776,O=C(O)c1n[nH]c(Cc2ccccc2)c1,203.0815,[M+H]+,20.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503777,O=C(O)c1n[nH]c(Cc2ccccc2)c1,203.0815,[M+H]+,60.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503778,O=C(O)c1n[nH]c(Cc2ccccc2)c1,203.0815,[M+H]+,20.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503779,O=C(O)c1n[nH]c(Cc2ccccc2)c1,203.0815,[M+H]+,45.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503780,O=C(O)c1n[nH]c(Cc2ccccc2)c1,203.0815,[M+H]+,60.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503781,O=C(O)c1n[nH]c(Cc2ccccc2)c1,203.0815,[M+H]+,20.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503782,O=C(O)c1n[nH]c(Cc2ccccc2)c1,203.0815,[M+H]+,45.0,test,O=C(O)c1cc(Cc2ccccc2)[nH]n1
503783,O=C(O)c1ccc(Cn2ccnc2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc(Cn2ccnc2)cc1
503784,O=C(O)c1ccc(Cn2ccnc2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc(Cn2ccnc2)cc1
503785,O=C(O)c1ccc(Cn2ccnc2)cc1,203.0815,[M+H]+,60.0,test,O=C(O)c1ccc(Cn2ccnc2)cc1
503786,O=C(O)c1ccc(Cn2ccnc2)cc1,203.0815,[M+H]+,30.0,test,O=C(O)c1ccc(Cn2ccnc2)cc1
503787,O=C(O)c1ccc(Cn2ccnc2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc(Cn2ccnc2)cc1
503788,O=C(O)c1ccc(Cn2ccnc2)cc1,203.0815,[M+H]+,60.0,test,O=C(O)c1ccc(Cn2ccnc2)cc1
503789,O=C(O)c1ccc(Cn2ccnc2)cc1,203.0815,[M+H]+,30.0,test,O=C(O)c1ccc(Cn2ccnc2)cc1
503790,O=C(O)c1ccc(Cn2ccnc2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)c1ccc(Cn2ccnc2)cc1
503791,Cc1nn(-c2ccccc2C(=O)O)cc1,185.07094,[M+H-H2O]+,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503792,Cc1nn(-c2ccccc2C(=O)O)cc1,185.07094,[M+H-H2O]+,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503793,Cc1nn(-c2ccccc2C(=O)O)cc1,185.07094,[M+H-H2O]+,60.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503794,Cc1nn(-c2ccccc2C(=O)O)cc1,185.07094,[M+H-H2O]+,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503795,Cc1nn(-c2ccccc2C(=O)O)cc1,185.07094,[M+H-H2O]+,45.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503796,Cc1nn(-c2ccccc2C(=O)O)cc1,185.07094,[M+H-H2O]+,60.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503797,Cc1nn(-c2ccccc2C(=O)O)cc1,185.07094,[M+H-H2O]+,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503798,Cc1nn(-c2ccccc2C(=O)O)cc1,185.07094,[M+H-H2O]+,45.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503799,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503800,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503801,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,30.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503802,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,15.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503803,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,60.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503804,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503805,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,45.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503806,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,60.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503807,Cc1nn(-c2ccccc2C(=O)O)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2ccccc2C(=O)O)n1
503808,Cc1nn(-c2ccc(C(=O)O)cc2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2ccc(C(=O)O)cc2)n1
503809,Cc1nn(-c2ccc(C(=O)O)cc2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2ccc(C(=O)O)cc2)n1
503810,Cc1nn(-c2ccc(C(=O)O)cc2)cc1,203.0815,[M+H]+,60.0,test,Cc1ccn(-c2ccc(C(=O)O)cc2)n1
503811,Cc1nn(-c2ccc(C(=O)O)cc2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2ccc(C(=O)O)cc2)n1
503812,Cc1nn(-c2ccc(C(=O)O)cc2)cc1,203.0815,[M+H]+,45.0,test,Cc1ccn(-c2ccc(C(=O)O)cc2)n1
503813,Cc1nnc2ccc(C(=O)O)cc2c1C,203.0815,[M+H]+,20.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503814,Cc1nnc2ccc(C(=O)O)cc2c1C,203.0815,[M+H]+,20.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503815,Cc1nnc2ccc(C(=O)O)cc2c1C,203.0815,[M+H]+,60.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503816,Cc1nnc2ccc(C(=O)O)cc2c1C,203.0815,[M+H]+,20.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503817,Cc1nnc2ccc(C(=O)O)cc2c1C,203.0815,[M+H]+,75.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503818,Cc1nnc2ccc(C(=O)O)cc2c1C,203.0815,[M+H]+,60.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503819,Cc1nnc2ccc(C(=O)O)cc2c1C,203.0815,[M+H]+,20.0,test,Cc1nnc2ccc(C(=O)O)cc2c1C
503820,O=C(O)c1cccc(Cn2cccn2)c1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccc(Cn2cccn2)c1
503821,O=C(O)c1cccc(Cn2cccn2)c1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccc(Cn2cccn2)c1
503822,O=C(O)c1cccc(Cn2cccn2)c1,203.0815,[M+H]+,60.0,test,O=C(O)c1cccc(Cn2cccn2)c1
503823,O=C(O)c1cccc(Cn2cccn2)c1,203.0815,[M+H]+,30.0,test,O=C(O)c1cccc(Cn2cccn2)c1
503824,O=C(O)c1cccc(Cn2cccn2)c1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccc(Cn2cccn2)c1
503825,O=C(O)c1cccc(Cn2cccn2)c1,203.0815,[M+H]+,60.0,test,O=C(O)c1cccc(Cn2cccn2)c1
503826,O=C(O)c1cccc(Cn2cccn2)c1,203.0815,[M+H]+,30.0,test,O=C(O)c1cccc(Cn2cccn2)c1
503827,O=C(O)c1cccc(Cn2cccn2)c1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccc(Cn2cccn2)c1
503828,O=C(O)c1cccn1Cc1ccncc1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503829,O=C(O)c1cccn1Cc1ccncc1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503830,O=C(O)c1cccn1Cc1ccncc1,185.07094,[M+H-H2O]+,60.0,test,O=C(O)c1cccn1Cc1ccncc1
503831,O=C(O)c1cccn1Cc1ccncc1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503832,O=C(O)c1cccn1Cc1ccncc1,185.07094,[M+H-H2O]+,45.0,test,O=C(O)c1cccn1Cc1ccncc1
503833,O=C(O)c1cccn1Cc1ccncc1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503834,O=C(O)c1cccn1Cc1ccncc1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503835,O=C(O)c1cccn1Cc1ccncc1,203.0815,[M+H]+,60.0,test,O=C(O)c1cccn1Cc1ccncc1
503836,O=C(O)c1cccn1Cc1ccncc1,203.0815,[M+H]+,30.0,test,O=C(O)c1cccn1Cc1ccncc1
503837,O=C(O)c1cccn1Cc1ccncc1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503838,O=C(O)c1cccn1Cc1ccncc1,203.0815,[M+H]+,60.0,test,O=C(O)c1cccn1Cc1ccncc1
503839,O=C(O)c1cccn1Cc1ccncc1,203.0815,[M+H]+,30.0,test,O=C(O)c1cccn1Cc1ccncc1
503840,O=C(O)c1cccn1Cc1ccncc1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503841,O=C(O)c1cccn1Cc1ccncc1,220.10805,[M+NH4]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503842,O=C(O)c1cccn1Cc1ccncc1,220.10805,[M+NH4]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503843,O=C(O)c1cccn1Cc1ccncc1,220.10805,[M+NH4]+,60.0,test,O=C(O)c1cccn1Cc1ccncc1
503844,O=C(O)c1cccn1Cc1ccncc1,220.10805,[M+NH4]+,30.0,test,O=C(O)c1cccn1Cc1ccncc1
503845,O=C(O)c1cccn1Cc1ccncc1,220.10805,[M+NH4]+,20.0,test,O=C(O)c1cccn1Cc1ccncc1
503846,Cc1nn(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)cc1C(=O)O
503847,Cc1nn(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)cc1C(=O)O
503848,Cc1nn(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,60.0,test,Cc1nn(-c2ccccc2)cc1C(=O)O
503849,Cc1nn(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)cc1C(=O)O
503850,Cc1nn(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,45.0,test,Cc1nn(-c2ccccc2)cc1C(=O)O
503851,Cc1nn(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,60.0,test,Cc1nn(-c2ccccc2)cc1C(=O)O
503852,Cc1nn(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)cc1C(=O)O
503853,Cc1nn(-c2ccccc2)cc1C(=O)O,203.0815,[M+H]+,45.0,test,Cc1nn(-c2ccccc2)cc1C(=O)O
503854,O=C(O)Cc1nn(-c2ccccc2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1ccn(-c2ccccc2)n1
503855,O=C(O)Cc1nn(-c2ccccc2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1ccn(-c2ccccc2)n1
503856,O=C(O)Cc1nn(-c2ccccc2)cc1,203.0815,[M+H]+,60.0,test,O=C(O)Cc1ccn(-c2ccccc2)n1
503857,O=C(O)Cc1nn(-c2ccccc2)cc1,203.0815,[M+H]+,30.0,test,O=C(O)Cc1ccn(-c2ccccc2)n1
503858,O=C(O)Cc1nn(-c2ccccc2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1ccn(-c2ccccc2)n1
503859,O=C(O)Cc1nn(-c2ccccc2)cc1,203.0815,[M+H]+,60.0,test,O=C(O)Cc1ccn(-c2ccccc2)n1
503860,O=C(O)Cc1nn(-c2ccccc2)cc1,203.0815,[M+H]+,30.0,test,O=C(O)Cc1ccn(-c2ccccc2)n1
503861,O=C(O)Cc1nn(-c2ccccc2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1ccn(-c2ccccc2)n1
503862,O=C(O)Cc1ccc(-n2cccn2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503863,O=C(O)Cc1ccc(-n2cccn2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503864,O=C(O)Cc1ccc(-n2cccn2)cc1,203.0815,[M+H]+,60.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503865,O=C(O)Cc1ccc(-n2cccn2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503866,O=C(O)Cc1ccc(-n2cccn2)cc1,203.0815,[M+H]+,45.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503867,O=C(O)Cc1ccc(-n2cccn2)cc1,203.0815,[M+H]+,60.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503868,O=C(O)Cc1ccc(-n2cccn2)cc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503869,O=C(O)Cc1ccc(-n2cccn2)cc1,203.0815,[M+H]+,45.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503870,O=C(O)Cc1ccc(-n2cccn2)cc1,220.10805,[M+NH4]+,20.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503871,O=C(O)Cc1ccc(-n2cccn2)cc1,220.10805,[M+NH4]+,20.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503872,O=C(O)Cc1ccc(-n2cccn2)cc1,220.10805,[M+NH4]+,60.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503873,O=C(O)Cc1ccc(-n2cccn2)cc1,220.10805,[M+NH4]+,30.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503874,O=C(O)Cc1ccc(-n2cccn2)cc1,220.10805,[M+NH4]+,20.0,test,O=C(O)Cc1ccc(-n2cccn2)cc1
503875,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503876,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503877,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,30.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503878,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,60.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503879,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503880,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,45.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503881,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,30.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503882,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,60.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503883,O=C(O)Cc1c(-c2ccccc2)[nH]nc1,203.0815,[M+H]+,20.0,test,O=C(O)Cc1cn[nH]c1-c1ccccc1
503884,Cc1nn(-c2cccc(C(=O)O)c2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503885,Cc1nn(-c2cccc(C(=O)O)c2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503886,Cc1nn(-c2cccc(C(=O)O)c2)cc1,203.0815,[M+H]+,60.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503887,Cc1nn(-c2cccc(C(=O)O)c2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503888,Cc1nn(-c2cccc(C(=O)O)c2)cc1,203.0815,[M+H]+,45.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503889,Cc1nn(-c2cccc(C(=O)O)c2)cc1,203.0815,[M+H]+,60.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503890,Cc1nn(-c2cccc(C(=O)O)c2)cc1,203.0815,[M+H]+,20.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503891,Cc1nn(-c2cccc(C(=O)O)c2)cc1,203.0815,[M+H]+,45.0,test,Cc1ccn(-c2cccc(C(=O)O)c2)n1
503892,O=C(O)C(c1ccccc1)n1cccn1,203.0815,[M+H]+,20.0,test,O=C(O)C(c1ccccc1)n1cccn1
503893,O=C(O)C(c1ccccc1)n1cccn1,203.0815,[M+H]+,20.0,test,O=C(O)C(c1ccccc1)n1cccn1
503894,O=C(O)C(c1ccccc1)n1cccn1,203.0815,[M+H]+,60.0,test,O=C(O)C(c1ccccc1)n1cccn1
503895,O=C(O)C(c1ccccc1)n1cccn1,203.0815,[M+H]+,30.0,test,O=C(O)C(c1ccccc1)n1cccn1
503896,O=C(O)C(c1ccccc1)n1cccn1,203.0815,[M+H]+,20.0,test,O=C(O)C(c1ccccc1)n1cccn1
503897,O=C(O)C(c1ccccc1)n1cccn1,203.0815,[M+H]+,60.0,test,O=C(O)C(c1ccccc1)n1cccn1
503898,O=C(O)C(c1ccccc1)n1cccn1,203.0815,[M+H]+,30.0,test,O=C(O)C(c1ccccc1)n1cccn1
503899,O=C(O)C(c1ccccc1)n1cccn1,203.0815,[M+H]+,20.0,test,O=C(O)C(c1ccccc1)n1cccn1
503900,O=C(O)c1cccn1Cc1ccccn1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cccn1Cc1ccccn1
503901,O=C(O)c1cccn1Cc1ccccn1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cccn1Cc1ccccn1
503902,O=C(O)c1cccn1Cc1ccccn1,185.07094,[M+H-H2O]+,60.0,test,O=C(O)c1cccn1Cc1ccccn1
503903,O=C(O)c1cccn1Cc1ccccn1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cccn1Cc1ccccn1
503904,O=C(O)c1cccn1Cc1ccccn1,185.07094,[M+H-H2O]+,45.0,test,O=C(O)c1cccn1Cc1ccccn1
503905,O=C(O)c1cccn1Cc1ccccn1,185.07094,[M+H-H2O]+,60.0,test,O=C(O)c1cccn1Cc1ccccn1
503906,O=C(O)c1cccn1Cc1ccccn1,185.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cccn1Cc1ccccn1
503907,O=C(O)c1cccn1Cc1ccccn1,185.07094,[M+H-H2O]+,45.0,test,O=C(O)c1cccn1Cc1ccccn1
503908,O=C(O)c1cccn1Cc1ccccn1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1ccccn1
503909,O=C(O)c1cccn1Cc1ccccn1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1ccccn1
503910,O=C(O)c1cccn1Cc1ccccn1,203.0815,[M+H]+,60.0,test,O=C(O)c1cccn1Cc1ccccn1
503911,O=C(O)c1cccn1Cc1ccccn1,203.0815,[M+H]+,15.0,test,O=C(O)c1cccn1Cc1ccccn1
503912,O=C(O)c1cccn1Cc1ccccn1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1ccccn1
503913,O=C(O)c1cccn1Cc1ccccn1,203.0815,[M+H]+,60.0,test,O=C(O)c1cccn1Cc1ccccn1
503914,O=C(O)c1cccn1Cc1ccccn1,203.0815,[M+H]+,15.0,test,O=C(O)c1cccn1Cc1ccccn1
503915,O=C(O)c1cccn1Cc1ccccn1,203.0815,[M+H]+,20.0,test,O=C(O)c1cccn1Cc1ccccn1
503916,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,203.0815,[M+H]+,20.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503917,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,203.0815,[M+H]+,20.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503918,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,203.0815,[M+H]+,60.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503919,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,203.0815,[M+H]+,20.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503920,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,203.0815,[M+H]+,45.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503921,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,203.0815,[M+H]+,60.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503922,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,203.0815,[M+H]+,20.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503923,Cc1c(C(=O)O)ccc(-n2ccnc2)c1,203.0815,[M+H]+,45.0,test,Cc1cc(-n2ccnc2)ccc1C(=O)O
503924,Cc1ccnn1-c1ccc(C(=O)O)cc1,203.0815,[M+H]+,20.0,test,Cc1ccnn1-c1ccc(C(=O)O)cc1
503925,Cc1ccnn1-c1ccc(C(=O)O)cc1,203.0815,[M+H]+,20.0,test,Cc1ccnn1-c1ccc(C(=O)O)cc1
503926,Cc1ccnn1-c1ccc(C(=O)O)cc1,203.0815,[M+H]+,60.0,test,Cc1ccnn1-c1ccc(C(=O)O)cc1
503927,Cc1ccnn1-c1ccc(C(=O)O)cc1,203.0815,[M+H]+,20.0,test,Cc1ccnn1-c1ccc(C(=O)O)cc1
503928,Cc1ccnn1-c1ccc(C(=O)O)cc1,203.0815,[M+H]+,45.0,test,Cc1ccnn1-c1ccc(C(=O)O)cc1
503929,Cc1ccnn1-c1ccc(C(=O)O)cc1,203.0815,[M+H]+,60.0,test,Cc1ccnn1-c1ccc(C(=O)O)cc1
503930,Cc1ccnn1-c1ccc(C(=O)O)cc1,203.0815,[M+H]+,20.0,test,Cc1ccnn1-c1ccc(C(=O)O)cc1
503931,Cc1ccnn1-c1ccc(C(=O)O)cc1,203.0815,[M+H]+,45.0,test,Cc1ccnn1-c1ccc(C(=O)O)cc1
503932,O=C(O)Cn1cncc1-c1ccccc1,203.0815,[M+H]+,20.0,test,O=C(O)Cn1cncc1-c1ccccc1
503933,O=C(O)Cn1cncc1-c1ccccc1,203.0815,[M+H]+,20.0,test,O=C(O)Cn1cncc1-c1ccccc1
503934,O=C(O)Cn1cncc1-c1ccccc1,203.0815,[M+H]+,60.0,test,O=C(O)Cn1cncc1-c1ccccc1
503935,O=C(O)Cn1cncc1-c1ccccc1,203.0815,[M+H]+,20.0,test,O=C(O)Cn1cncc1-c1ccccc1
503936,O=C(O)Cn1cncc1-c1ccccc1,203.0815,[M+H]+,45.0,test,O=C(O)Cn1cncc1-c1ccccc1
503937,O=C(O)Cn1cncc1-c1ccccc1,203.0815,[M+H]+,60.0,test,O=C(O)Cn1cncc1-c1ccccc1
503938,O=C(O)Cn1cncc1-c1ccccc1,203.0815,[M+H]+,20.0,test,O=C(O)Cn1cncc1-c1ccccc1
503939,O=C(O)Cn1cncc1-c1ccccc1,203.0815,[M+H]+,45.0,test,O=C(O)Cn1cncc1-c1ccccc1
503940,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,203.0815,[M+H]+,20.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503941,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,203.0815,[M+H]+,20.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503942,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,203.0815,[M+H]+,60.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503943,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,203.0815,[M+H]+,20.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503944,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,203.0815,[M+H]+,45.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503945,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,203.0815,[M+H]+,60.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503946,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,203.0815,[M+H]+,20.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503947,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,203.0815,[M+H]+,45.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503948,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,220.10805,[M+NH4]+,20.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503949,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,220.10805,[M+NH4]+,20.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503950,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,220.10805,[M+NH4]+,60.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503951,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,220.10805,[M+NH4]+,30.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503952,Cc1cn(-c2ccc(C(=O)O)cc2)nc1,220.10805,[M+NH4]+,20.0,test,Cc1cnn(-c2ccc(C(=O)O)cc2)c1
503953,Cn1nc(C(=O)O)cc1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503954,Cn1nc(C(=O)O)cc1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503955,Cn1nc(C(=O)O)cc1-c1ccccc1,185.07094,[M+H-H2O]+,60.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503956,Cn1nc(C(=O)O)cc1-c1ccccc1,185.07094,[M+H-H2O]+,20.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503957,Cn1nc(C(=O)O)cc1-c1ccccc1,185.07094,[M+H-H2O]+,45.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503958,Cn1nc(C(=O)O)cc1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503959,Cn1nc(C(=O)O)cc1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503960,Cn1nc(C(=O)O)cc1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503961,Cn1nc(C(=O)O)cc1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503962,Cn1nc(C(=O)O)cc1-c1ccccc1,203.0815,[M+H]+,60.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503963,Cn1nc(C(=O)O)cc1-c1ccccc1,203.0815,[M+H]+,20.0,test,Cn1nc(C(=O)O)cc1-c1ccccc1
503964,Cc1c(C)nc2cc(C(=O)O)ccc2n1,203.0815,[M+H]+,20.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503965,Cc1c(C)nc2cc(C(=O)O)ccc2n1,203.0815,[M+H]+,20.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503966,Cc1c(C)nc2cc(C(=O)O)ccc2n1,203.0815,[M+H]+,30.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503967,Cc1c(C)nc2cc(C(=O)O)ccc2n1,203.0815,[M+H]+,60.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503968,Cc1c(C)nc2cc(C(=O)O)ccc2n1,203.0815,[M+H]+,15.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503969,Cc1c(C)nc2cc(C(=O)O)ccc2n1,203.0815,[M+H]+,20.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503970,Cc1c(C)nc2cc(C(=O)O)ccc2n1,203.0815,[M+H]+,60.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503971,Cc1c(C)nc2cc(C(=O)O)ccc2n1,203.0815,[M+H]+,20.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503972,Cc1c(C)nc2cc(C(=O)O)ccc2n1,220.10805,[M+NH4]+,20.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503973,Cc1c(C)nc2cc(C(=O)O)ccc2n1,220.10805,[M+NH4]+,20.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503974,Cc1c(C)nc2cc(C(=O)O)ccc2n1,220.10805,[M+NH4]+,60.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503975,Cc1c(C)nc2cc(C(=O)O)ccc2n1,220.10805,[M+NH4]+,30.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503976,Cc1c(C)nc2cc(C(=O)O)ccc2n1,220.10805,[M+NH4]+,20.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503977,Cc1c(C)nc2cc(C(=O)O)ccc2n1,220.10805,[M+NH4]+,60.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503978,Cc1c(C)nc2cc(C(=O)O)ccc2n1,220.10805,[M+NH4]+,30.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503979,Cc1c(C)nc2cc(C(=O)O)ccc2n1,220.10805,[M+NH4]+,20.0,test,Cc1nc2ccc(C(=O)O)cc2nc1C
503980,Cc1cc(Oc2c[nH]c(=O)nc2)ccc1,203.0815,[M+H]+,20.0,test,Cc1cccc(Oc2cnc(=O)[nH]c2)c1
503981,Cc1cc(Oc2c[nH]c(=O)nc2)ccc1,203.0815,[M+H]+,20.0,test,Cc1cccc(Oc2cnc(=O)[nH]c2)c1
503982,Cc1cc(Oc2c[nH]c(=O)nc2)ccc1,203.0815,[M+H]+,60.0,test,Cc1cccc(Oc2cnc(=O)[nH]c2)c1
503983,Cc1cc(Oc2c[nH]c(=O)nc2)ccc1,203.0815,[M+H]+,20.0,test,Cc1cccc(Oc2cnc(=O)[nH]c2)c1
503984,Cc1cc(Oc2c[nH]c(=O)nc2)ccc1,203.0815,[M+H]+,45.0,test,Cc1cccc(Oc2cnc(=O)[nH]c2)c1
503985,O=c1c2ccccc2nc2C(O)CCn21,185.07094,[M+H-H2O]+,20.0,test,O=c1c2ccccc2nc2n1CCC2O
503986,O=c1c2ccccc2nc2C(O)CCn21,185.07094,[M+H-H2O]+,20.0,test,O=c1c2ccccc2nc2n1CCC2O
503987,O=c1c2ccccc2nc2C(O)CCn21,185.07094,[M+H-H2O]+,60.0,test,O=c1c2ccccc2nc2n1CCC2O
503988,O=c1c2ccccc2nc2C(O)CCn21,185.07094,[M+H-H2O]+,20.0,test,O=c1c2ccccc2nc2n1CCC2O
503989,O=c1c2ccccc2nc2C(O)CCn21,185.07094,[M+H-H2O]+,45.0,test,O=c1c2ccccc2nc2n1CCC2O
503990,O=c1c2ccccc2nc2C(O)CCn21,203.0815,[M+H]+,20.0,test,O=c1c2ccccc2nc2n1CCC2O
503991,O=c1c2ccccc2nc2C(O)CCn21,203.0815,[M+H]+,20.0,test,O=c1c2ccccc2nc2n1CCC2O
503992,O=c1c2ccccc2nc2C(O)CCn21,203.0815,[M+H]+,60.0,test,O=c1c2ccccc2nc2n1CCC2O
503993,O=c1c2ccccc2nc2C(O)CCn21,203.0815,[M+H]+,20.0,test,O=c1c2ccccc2nc2n1CCC2O
503994,O=c1c2ccccc2nc2C(O)CCn21,203.0815,[M+H]+,45.0,test,O=c1c2ccccc2nc2n1CCC2O
503995,O=c1c2ccccc2nc2C(O)CCn21,203.0815,[M+H]+,60.0,test,O=c1c2ccccc2nc2n1CCC2O
503996,O=c1c2ccccc2nc2C(O)CCn21,203.0815,[M+H]+,20.0,test,O=c1c2ccccc2nc2n1CCC2O
503997,O=c1c2ccccc2nc2C(O)CCn21,203.0815,[M+H]+,45.0,test,O=c1c2ccccc2nc2n1CCC2O
503998,O=c1c2ccccc2nc2n1CC[C@@H]2O,185.07094,[M+H-H2O]+,20.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
503999,O=c1c2ccccc2nc2n1CC[C@@H]2O,185.07094,[M+H-H2O]+,20.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504000,O=c1c2ccccc2nc2n1CC[C@@H]2O,185.07094,[M+H-H2O]+,60.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504001,O=c1c2ccccc2nc2n1CC[C@@H]2O,185.07094,[M+H-H2O]+,20.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504002,O=c1c2ccccc2nc2n1CC[C@@H]2O,185.07094,[M+H-H2O]+,60.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504003,O=c1c2ccccc2nc2n1CC[C@@H]2O,203.0815,[M+H]+,20.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504004,O=c1c2ccccc2nc2n1CC[C@@H]2O,203.0815,[M+H]+,20.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504005,O=c1c2ccccc2nc2n1CC[C@@H]2O,203.0815,[M+H]+,45.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504006,O=c1c2ccccc2nc2n1CC[C@@H]2O,203.0815,[M+H]+,60.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504007,O=c1c2ccccc2nc2n1CC[C@@H]2O,203.0815,[M+H]+,20.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504008,O=c1c2ccccc2nc2n1CC[C@@H]2O,203.0815,[M+H]+,45.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504009,O=c1c2ccccc2nc2n1CC[C@@H]2O,203.0815,[M+H]+,20.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504010,O=c1c2ccccc2nc2n1CC[C@@H]2O,203.0815,[M+H]+,60.0,test,O=c1c2ccccc2nc2n1CC[C@@H]2O
504011,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1,354.99225,[M+H]+,20.0,test,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1
504012,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1,354.99225,[M+H]+,20.0,test,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1
504013,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1,354.99225,[M+H]+,60.0,test,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1
504014,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1,354.99225,[M+H]+,30.0,test,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1
504015,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1,354.99225,[M+H]+,20.0,test,Cc1cc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1
504016,COc1c2oc(C(=O)O)c(C)c2ccc1,205.05063,[M-H]-,20.0,test,COc1cccc2c(C)c(C(=O)O)oc12
504017,COc1c2oc(C(=O)O)c(C)c2ccc1,205.05063,[M-H]-,20.0,test,COc1cccc2c(C)c(C(=O)O)oc12
504018,COc1c2oc(C(=O)O)c(C)c2ccc1,205.05063,[M-H]-,60.0,test,COc1cccc2c(C)c(C(=O)O)oc12
504019,COc1c2oc(C(=O)O)c(C)c2ccc1,205.05063,[M-H]-,15.0,test,COc1cccc2c(C)c(C(=O)O)oc12
504020,COc1c2oc(C(=O)O)c(C)c2ccc1,205.05063,[M-H]-,20.0,test,COc1cccc2c(C)c(C(=O)O)oc12
504021,COc1c(OC)cc2oc(=O)ccc2c1,207.06518,[M+H]+,20.0,test,COc1cc2ccc(=O)oc2cc1OC
504022,COc1c(OC)cc2oc(=O)ccc2c1,207.06518,[M+H]+,20.0,test,COc1cc2ccc(=O)oc2cc1OC
504023,COc1c(OC)cc2oc(=O)ccc2c1,207.06518,[M+H]+,60.0,test,COc1cc2ccc(=O)oc2cc1OC
504024,COc1c(OC)cc2oc(=O)ccc2c1,207.06518,[M+H]+,20.0,test,COc1cc2ccc(=O)oc2cc1OC
504025,COc1c(OC)cc2oc(=O)ccc2c1,207.06518,[M+H]+,45.0,test,COc1cc2ccc(=O)oc2cc1OC
504026,Cc1c2cc(CO)oc(=O)c2cc(O)c1,205.05063,[M-H]-,20.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504027,Cc1c2cc(CO)oc(=O)c2cc(O)c1,205.05063,[M-H]-,20.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504028,Cc1c2cc(CO)oc(=O)c2cc(O)c1,205.05063,[M-H]-,60.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504029,Cc1c2cc(CO)oc(=O)c2cc(O)c1,205.05063,[M-H]-,20.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504030,Cc1c2cc(CO)oc(=O)c2cc(O)c1,205.05063,[M-H]-,45.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504031,Cc1c2cc(CO)oc(=O)c2cc(O)c1,207.06518,[M+H]+,20.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504032,Cc1c2cc(CO)oc(=O)c2cc(O)c1,207.06518,[M+H]+,20.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504033,Cc1c2cc(CO)oc(=O)c2cc(O)c1,207.06518,[M+H]+,60.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504034,Cc1c2cc(CO)oc(=O)c2cc(O)c1,207.06518,[M+H]+,20.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504035,Cc1c2cc(CO)oc(=O)c2cc(O)c1,207.06518,[M+H]+,45.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504036,Cc1c2cc(CO)oc(=O)c2cc(O)c1,207.06518,[M+H]+,60.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504037,Cc1c2cc(CO)oc(=O)c2cc(O)c1,207.06518,[M+H]+,20.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504038,Cc1c2cc(CO)oc(=O)c2cc(O)c1,207.06518,[M+H]+,45.0,test,Cc1cc(O)cc2c(=O)oc(CO)cc12
504039,COc1ccc2ccc(=O)oc2c1OC,207.06518,[M+H]+,20.0,test,COc1ccc2ccc(=O)oc2c1OC
504040,COc1ccc2ccc(=O)oc2c1OC,207.06518,[M+H]+,20.0,test,COc1ccc2ccc(=O)oc2c1OC
504041,COc1ccc2ccc(=O)oc2c1OC,207.06518,[M+H]+,45.0,test,COc1ccc2ccc(=O)oc2c1OC
504042,COc1ccc2ccc(=O)oc2c1OC,207.06518,[M+H]+,60.0,test,COc1ccc2ccc(=O)oc2c1OC
504043,COc1ccc2ccc(=O)oc2c1OC,207.06518,[M+H]+,20.0,test,COc1ccc2ccc(=O)oc2c1OC
504044,COc1ccc2ccc(=O)oc2c1OC,207.06518,[M+H]+,60.0,test,COc1ccc2ccc(=O)oc2c1OC
504045,COc1ccc2ccc(=O)oc2c1OC,207.06518,[M+H]+,45.0,test,COc1ccc2ccc(=O)oc2c1OC
504046,COc1ccc2ccc(=O)oc2c1OC,207.06518,[M+H]+,20.0,test,COc1ccc2ccc(=O)oc2c1OC
504047,COc1cc(OC)c2ccc(=O)oc2c1,207.06518,[M+H]+,20.0,test,COc1cc(OC)c2ccc(=O)oc2c1
504048,COc1cc(OC)c2ccc(=O)oc2c1,207.06518,[M+H]+,20.0,test,COc1cc(OC)c2ccc(=O)oc2c1
504049,COc1cc(OC)c2ccc(=O)oc2c1,207.06518,[M+H]+,45.0,test,COc1cc(OC)c2ccc(=O)oc2c1
504050,COc1cc(OC)c2ccc(=O)oc2c1,207.06518,[M+H]+,60.0,test,COc1cc(OC)c2ccc(=O)oc2c1
504051,COc1cc(OC)c2ccc(=O)oc2c1,207.06518,[M+H]+,20.0,test,COc1cc(OC)c2ccc(=O)oc2c1
504052,COc1cc(OC)c2ccc(=O)oc2c1,207.06518,[M+H]+,20.0,test,COc1cc(OC)c2ccc(=O)oc2c1
504053,COc1cc(OC)c2ccc(=O)oc2c1,207.06518,[M+H]+,45.0,test,COc1cc(OC)c2ccc(=O)oc2c1
504054,COc1cc(OC)c2ccc(=O)oc2c1,207.06518,[M+H]+,60.0,test,COc1cc(OC)c2ccc(=O)oc2c1
504055,COc1cc(O)c2c(=O)cc(C)oc2c1,207.06518,[M+H]+,20.0,test,COc1cc(O)c2c(=O)cc(C)oc2c1
504056,COc1cc(O)c2c(=O)cc(C)oc2c1,207.06518,[M+H]+,20.0,test,COc1cc(O)c2c(=O)cc(C)oc2c1
504057,COc1cc(O)c2c(=O)cc(C)oc2c1,207.06518,[M+H]+,60.0,test,COc1cc(O)c2c(=O)cc(C)oc2c1
504058,COc1cc(O)c2c(=O)cc(C)oc2c1,207.06518,[M+H]+,20.0,test,COc1cc(O)c2c(=O)cc(C)oc2c1
504059,COc1cc(O)c2c(=O)cc(C)oc2c1,207.06518,[M+H]+,20.0,test,COc1cc(O)c2c(=O)cc(C)oc2c1
504060,COc1cc(O)c2c(=O)cc(C)oc2c1,207.06518,[M+H]+,60.0,test,COc1cc(O)c2c(=O)cc(C)oc2c1
504061,COc1ccc2c(C)cc(=O)oc2c1O,207.06518,[M+H]+,20.0,test,COc1ccc2c(C)cc(=O)oc2c1O
504062,COc1ccc2c(C)cc(=O)oc2c1O,207.06518,[M+H]+,20.0,test,COc1ccc2c(C)cc(=O)oc2c1O
504063,COc1ccc2c(C)cc(=O)oc2c1O,207.06518,[M+H]+,45.0,test,COc1ccc2c(C)cc(=O)oc2c1O
504064,COc1ccc2c(C)cc(=O)oc2c1O,207.06518,[M+H]+,60.0,test,COc1ccc2c(C)cc(=O)oc2c1O
504065,COc1ccc2c(C)cc(=O)oc2c1O,207.06518,[M+H]+,20.0,test,COc1ccc2c(C)cc(=O)oc2c1O
504066,COc1ccc2c(C)cc(=O)oc2c1O,207.06518,[M+H]+,45.0,test,COc1ccc2c(C)cc(=O)oc2c1O
504067,COc1ccc2c(C)cc(=O)oc2c1O,207.06518,[M+H]+,60.0,test,COc1ccc2c(C)cc(=O)oc2c1O
504068,COc1ccc2c(C)cc(=O)oc2c1O,207.06518,[M+H]+,20.0,test,COc1ccc2c(C)cc(=O)oc2c1O
504069,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O,280.99311,[M-H]-,20.0,test,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O
504070,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O,280.99311,[M-H]-,20.0,test,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O
504071,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O,280.99311,[M-H]-,60.0,test,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O
504072,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O,280.99311,[M-H]-,30.0,test,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O
504073,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O,280.99311,[M-H]-,20.0,test,N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O
504074,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,344.93726,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504075,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,344.93726,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504076,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,344.93726,[M-H]-,30.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504077,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,344.93726,[M-H]-,60.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504078,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,344.93726,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504079,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,344.93726,[M-H]-,45.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504080,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,344.93726,[M-H]-,60.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504081,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,344.93726,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504082,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,346.95181,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504083,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,346.95181,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504084,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,346.95181,[M+H]+,45.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504085,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,346.95181,[M+H]+,60.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504086,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br,346.95181,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)Nc2nccs2)c(C)cc1Br
504087,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,324.97642,[M-H]-,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504088,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,324.97642,[M-H]-,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504089,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,324.97642,[M-H]-,60.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504090,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,324.97642,[M-H]-,30.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504091,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,324.97642,[M-H]-,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504092,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,326.99097,[M+H]+,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504093,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,326.99097,[M+H]+,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504094,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,326.99097,[M+H]+,60.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504095,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,326.99097,[M+H]+,30.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504096,CCSc1nc(=O)c(-c2c(N)ccc(Br)c2)n[nH]1,326.99097,[M+H]+,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504097,Cn1ccnc1SCC(=O)Nc1ncc(Br)cc1,326.99097,[M+H]+,20.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504098,Cn1ccnc1SCC(=O)Nc1ncc(Br)cc1,326.99097,[M+H]+,20.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504099,Cn1ccnc1SCC(=O)Nc1ncc(Br)cc1,326.99097,[M+H]+,60.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504100,Cn1ccnc1SCC(=O)Nc1ncc(Br)cc1,326.99097,[M+H]+,30.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504101,Cn1ccnc1SCC(=O)Nc1ncc(Br)cc1,326.99097,[M+H]+,20.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504102,Cc1c(Br)c(C(=O)N/N=C/c2cscc2)nn1C,326.99097,[M+H]+,20.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504103,Cc1c(Br)c(C(=O)N/N=C/c2cscc2)nn1C,326.99097,[M+H]+,20.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504104,Cc1c(Br)c(C(=O)N/N=C/c2cscc2)nn1C,326.99097,[M+H]+,60.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504105,Cc1c(Br)c(C(=O)N/N=C/c2cscc2)nn1C,326.99097,[M+H]+,30.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504106,Cc1c(Br)c(C(=O)N/N=C/c2cscc2)nn1C,326.99097,[M+H]+,20.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504107,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,324.97642,[M-H]-,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504108,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,324.97642,[M-H]-,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504109,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,324.97642,[M-H]-,45.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504110,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,324.97642,[M-H]-,60.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504111,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,324.97642,[M-H]-,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504112,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,324.97642,[M-H]-,20.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504113,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,324.97642,[M-H]-,20.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504114,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,324.97642,[M-H]-,60.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504115,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,324.97642,[M-H]-,30.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504116,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,324.97642,[M-H]-,20.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504117,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,324.97642,[M-H]-,20.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504118,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,324.97642,[M-H]-,30.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504119,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,324.97642,[M-H]-,60.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504120,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C,326.99097,[M+H]+,30.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504121,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C,326.99097,[M+H]+,30.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504122,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C,326.99097,[M+H]+,20.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504123,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C,326.99097,[M+H]+,60.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504124,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C,326.99097,[M+H]+,30.0,test,Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C
504125,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1,326.99097,[M+H]+,20.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504126,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1,326.99097,[M+H]+,20.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504127,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1,326.99097,[M+H]+,60.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504128,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1,326.99097,[M+H]+,15.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504129,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1,326.99097,[M+H]+,20.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504130,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1,326.99097,[M+H]+,60.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504131,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1,326.99097,[M+H]+,20.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504132,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1,326.99097,[M+H]+,15.0,test,Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1
504133,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,326.99097,[M+H]+,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504134,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,326.99097,[M+H]+,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504135,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,326.99097,[M+H]+,60.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504136,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,326.99097,[M+H]+,30.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504137,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,326.99097,[M+H]+,20.0,test,CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1
504138,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N,326.99097,[M+H]+,20.0,test,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N
504139,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N,326.99097,[M+H]+,20.0,test,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N
504140,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N,326.99097,[M+H]+,60.0,test,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N
504141,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N,326.99097,[M+H]+,30.0,test,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N
504142,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N,326.99097,[M+H]+,20.0,test,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N
504143,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N,326.99097,[M+H]+,60.0,test,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N
504144,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N,326.99097,[M+H]+,30.0,test,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N
504145,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N,326.99097,[M+H]+,20.0,test,CC(=O)Cn1nc(Br)nc1Sc1ccccc1N
504146,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,326.99097,[M+H]+,20.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504147,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,326.99097,[M+H]+,20.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504148,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,326.99097,[M+H]+,60.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504149,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,326.99097,[M+H]+,30.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504150,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1,326.99097,[M+H]+,20.0,test,C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccc(Br)s1
504151,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1,288.03011,[M+H]+,20.0,test,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1
504152,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1,288.03011,[M+H]+,20.0,test,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1
504153,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1,288.03011,[M+H]+,60.0,test,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1
504154,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1,288.03011,[M+H]+,30.0,test,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1
504155,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1,288.03011,[M+H]+,20.0,test,OCc1cn(CCOc2c(Cl)cccc2Cl)nn1
504156,O=C(O)C1CC(O)(c2cc(Cl)ccc2)C1,225.0324,[M-H]-,20.0,test,O=C(O)C1CC(O)(c2cccc(Cl)c2)C1
504157,O=C(O)C1CC(O)(c2cc(Cl)ccc2)C1,225.0324,[M-H]-,20.0,test,O=C(O)C1CC(O)(c2cccc(Cl)c2)C1
504158,O=C(O)C1CC(O)(c2cc(Cl)ccc2)C1,225.0324,[M-H]-,60.0,test,O=C(O)C1CC(O)(c2cccc(Cl)c2)C1
504159,O=C(O)C1CC(O)(c2cc(Cl)ccc2)C1,225.0324,[M-H]-,30.0,test,O=C(O)C1CC(O)(c2cccc(Cl)c2)C1
504160,O=C(O)C1CC(O)(c2cc(Cl)ccc2)C1,225.0324,[M-H]-,20.0,test,O=C(O)C1CC(O)(c2cccc(Cl)c2)C1
504161,O=C(O)C1CC(O)(c2cc(Cl)ccc2)C1,225.0324,[M-H]-,60.0,test,O=C(O)C1CC(O)(c2cccc(Cl)c2)C1
504162,O=C(O)C1CC(O)(c2cc(Cl)ccc2)C1,225.0324,[M-H]-,30.0,test,O=C(O)C1CC(O)(c2cccc(Cl)c2)C1
504163,O=C(O)C1CC(O)(c2cc(Cl)ccc2)C1,225.0324,[M-H]-,20.0,test,O=C(O)C1CC(O)(c2cccc(Cl)c2)C1
504164,O=C(O)C1CCCN1c1c2ccsc2ncn1,248.04992,[M-H]-,20.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504165,O=C(O)C1CCCN1c1c2ccsc2ncn1,248.04992,[M-H]-,20.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504166,O=C(O)C1CCCN1c1c2ccsc2ncn1,248.04992,[M-H]-,60.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504167,O=C(O)C1CCCN1c1c2ccsc2ncn1,248.04992,[M-H]-,30.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504168,O=C(O)C1CCCN1c1c2ccsc2ncn1,248.04992,[M-H]-,20.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504169,O=C(O)C1CCCN1c1c2ccsc2ncn1,248.04992,[M-H]-,60.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504170,O=C(O)C1CCCN1c1c2ccsc2ncn1,248.04992,[M-H]-,30.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504171,O=C(O)C1CCCN1c1c2ccsc2ncn1,248.04992,[M-H]-,20.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504172,O=C(O)C1CCCN1c1c2ccsc2ncn1,250.06447,[M+H]+,20.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504173,O=C(O)C1CCCN1c1c2ccsc2ncn1,250.06447,[M+H]+,20.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504174,O=C(O)C1CCCN1c1c2ccsc2ncn1,250.06447,[M+H]+,60.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504175,O=C(O)C1CCCN1c1c2ccsc2ncn1,250.06447,[M+H]+,20.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504176,O=C(O)C1CCCN1c1c2ccsc2ncn1,250.06447,[M+H]+,45.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504177,O=C(O)C1CCCN1c1c2ccsc2ncn1,250.06447,[M+H]+,60.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504178,O=C(O)C1CCCN1c1c2ccsc2ncn1,250.06447,[M+H]+,20.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504179,O=C(O)C1CCCN1c1c2ccsc2ncn1,250.06447,[M+H]+,45.0,test,O=C(O)C1CCCN1c1ncnc2sccc12
504180,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504181,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504182,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504183,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,15.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504184,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504185,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504186,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504187,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504188,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504189,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504190,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504191,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504192,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,250.06447,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
504193,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,320.98729,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504194,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,320.98729,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504195,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,320.98729,[M-H]-,15.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504196,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,320.98729,[M-H]-,60.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504197,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,320.98729,[M-H]-,30.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504198,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,320.98729,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504199,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,320.98729,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504200,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,320.98729,[M-H]-,60.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504201,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,356.96397,[M+Cl]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504202,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,356.96397,[M+Cl]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504203,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,356.96397,[M+Cl]-,60.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504204,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,356.96397,[M+Cl]-,30.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504205,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,356.96397,[M+Cl]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504206,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,366.99277,[M+FA]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504207,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,366.99277,[M+FA]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504208,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,366.99277,[M+FA]-,60.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504209,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,366.99277,[M+FA]-,15.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504210,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,366.99277,[M+FA]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504211,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,366.99277,[M+FA]-,15.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504212,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,366.99277,[M+FA]-,20.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504213,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1,366.99277,[M+FA]-,60.0,test,O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCS(=O)(=O)C1
504214,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl,323.00185,[M+H]+,20.0,test,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl
504215,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl,323.00185,[M+H]+,20.0,test,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl
504216,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl,323.00185,[M+H]+,45.0,test,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl
504217,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl,323.00185,[M+H]+,60.0,test,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl
504218,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl,323.00185,[M+H]+,20.0,test,COc1c(S(=O)(=O)N2CCN=C2C)ccc(Cl)c1Cl
504219,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1,305.01684,[M-H]-,20.0,test,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1
504220,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1,305.01684,[M-H]-,20.0,test,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1
504221,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1,305.01684,[M-H]-,45.0,test,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1
504222,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1,305.01684,[M-H]-,60.0,test,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1
504223,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1,305.01684,[M-H]-,20.0,test,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1
504224,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1,305.01684,[M-H]-,20.0,test,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1
504225,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1,305.01684,[M-H]-,45.0,test,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1
504226,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1,305.01684,[M-H]-,60.0,test,O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1
504227,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,284.0266,[M-H]-,20.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504228,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,284.0266,[M-H]-,20.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504229,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,284.0266,[M-H]-,60.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504230,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,284.0266,[M-H]-,30.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504231,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,284.0266,[M-H]-,20.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504232,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,286.04115,[M+H]+,20.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504233,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,286.04115,[M+H]+,20.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504234,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,286.04115,[M+H]+,60.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504235,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,286.04115,[M+H]+,30.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504236,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,286.04115,[M+H]+,20.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504237,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,286.04115,[M+H]+,60.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504238,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,286.04115,[M+H]+,30.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504239,NCCNS(=O)(=O)c1c2cnccc2c(Cl)cc1,286.04115,[M+H]+,20.0,test,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
504240,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1,276.09544,[M+H]+,20.0,test,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1
504241,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1,276.09544,[M+H]+,20.0,test,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1
504242,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1,276.09544,[M+H]+,60.0,test,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1
504243,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1,276.09544,[M+H]+,15.0,test,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1
504244,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1,276.09544,[M+H]+,20.0,test,O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1
504245,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,322.04787,[M-H]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504246,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,322.04787,[M-H]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504247,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,322.04787,[M-H]-,60.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504248,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,322.04787,[M-H]-,30.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504249,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,322.04787,[M-H]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504250,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,322.04787,[M-H]-,60.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504251,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,322.04787,[M-H]-,30.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504252,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,322.04787,[M-H]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504253,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,324.06242,[M+H]+,20.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504254,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,324.06242,[M+H]+,20.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504255,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,324.06242,[M+H]+,60.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504256,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,324.06242,[M+H]+,30.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504257,O=C(Nc1cnc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1,324.06242,[M+H]+,20.0,test,O=C(Nc1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1
504258,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,322.04787,[M-H]-,20.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504259,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,322.04787,[M-H]-,20.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504260,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,322.04787,[M-H]-,45.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504261,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,322.04787,[M-H]-,60.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504262,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,322.04787,[M-H]-,20.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504263,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,322.04787,[M-H]-,20.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504264,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,322.04787,[M-H]-,45.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504265,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,322.04787,[M-H]-,60.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504266,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,358.02455,[M+Cl]-,20.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504267,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,358.02455,[M+Cl]-,20.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504268,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,358.02455,[M+Cl]-,60.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504269,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,358.02455,[M+Cl]-,15.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504270,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1,358.02455,[M+Cl]-,20.0,test,Cc1nc(C(=O)NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
504271,Cc1ccccc1C1(C(=O)O)CC1,158.07262,[M-H2O]+,20.0,test,Cc1ccccc1C1(C(=O)O)CC1
504272,Cc1ccccc1C1(C(=O)O)CC1,158.07262,[M-H2O]+,20.0,test,Cc1ccccc1C1(C(=O)O)CC1
504273,Cc1ccccc1C1(C(=O)O)CC1,158.07262,[M-H2O]+,60.0,test,Cc1ccccc1C1(C(=O)O)CC1
504274,Cc1ccccc1C1(C(=O)O)CC1,158.07262,[M-H2O]+,15.0,test,Cc1ccccc1C1(C(=O)O)CC1
504275,Cc1ccccc1C1(C(=O)O)CC1,158.07262,[M-H2O]+,20.0,test,Cc1ccccc1C1(C(=O)O)CC1
504276,Cc1cc2c(cc1C)C(C(=O)O)CO2,191.07137,[M-H]-,20.0,test,Cc1cc2c(cc1C)C(C(=O)O)CO2
504277,Cc1cc2c(cc1C)C(C(=O)O)CO2,191.07137,[M-H]-,20.0,test,Cc1cc2c(cc1C)C(C(=O)O)CO2
504278,Cc1cc2c(cc1C)C(C(=O)O)CO2,191.07137,[M-H]-,60.0,test,Cc1cc2c(cc1C)C(C(=O)O)CO2
504279,Cc1cc2c(cc1C)C(C(=O)O)CO2,191.07137,[M-H]-,15.0,test,Cc1cc2c(cc1C)C(C(=O)O)CO2
504280,Cc1cc2c(cc1C)C(C(=O)O)CO2,191.07137,[M-H]-,20.0,test,Cc1cc2c(cc1C)C(C(=O)O)CO2
504281,O=C(O)C1(O)CCc2ccccc2C1,191.07137,[M-H]-,20.0,test,O=C(O)C1(O)CCc2ccccc2C1
504282,O=C(O)C1(O)CCc2ccccc2C1,191.07137,[M-H]-,20.0,test,O=C(O)C1(O)CCc2ccccc2C1
504283,O=C(O)C1(O)CCc2ccccc2C1,191.07137,[M-H]-,60.0,test,O=C(O)C1(O)CCc2ccccc2C1
504284,O=C(O)C1(O)CCc2ccccc2C1,191.07137,[M-H]-,30.0,test,O=C(O)C1(O)CCc2ccccc2C1
504285,O=C(O)C1(O)CCc2ccccc2C1,191.07137,[M-H]-,20.0,test,O=C(O)C1(O)CCc2ccccc2C1
504286,O=C(O)C1(O)CCc2ccccc2C1,191.07137,[M-H]-,60.0,test,O=C(O)C1(O)CCc2ccccc2C1
504287,O=C(O)C1(O)CCc2ccccc2C1,191.07137,[M-H]-,30.0,test,O=C(O)C1(O)CCc2ccccc2C1
504288,O=C(O)C1(O)CCc2ccccc2C1,191.07137,[M-H]-,20.0,test,O=C(O)C1(O)CCc2ccccc2C1
504289,O=C(O)c1ccccc1OC1CCC1,175.07536,[M+H-H2O]+,20.0,test,O=C(O)c1ccccc1OC1CCC1
504290,O=C(O)c1ccccc1OC1CCC1,175.07536,[M+H-H2O]+,20.0,test,O=C(O)c1ccccc1OC1CCC1
504291,O=C(O)c1ccccc1OC1CCC1,175.07536,[M+H-H2O]+,60.0,test,O=C(O)c1ccccc1OC1CCC1
504292,O=C(O)c1ccccc1OC1CCC1,175.07536,[M+H-H2O]+,30.0,test,O=C(O)c1ccccc1OC1CCC1
504293,O=C(O)c1ccccc1OC1CCC1,175.07536,[M+H-H2O]+,20.0,test,O=C(O)c1ccccc1OC1CCC1
504294,O=C(O)c1ccccc1OC1CCC1,193.08592,[M+H]+,20.0,test,O=C(O)c1ccccc1OC1CCC1
504295,O=C(O)c1ccccc1OC1CCC1,193.08592,[M+H]+,20.0,test,O=C(O)c1ccccc1OC1CCC1
504296,O=C(O)c1ccccc1OC1CCC1,193.08592,[M+H]+,60.0,test,O=C(O)c1ccccc1OC1CCC1
504297,O=C(O)c1ccccc1OC1CCC1,193.08592,[M+H]+,15.0,test,O=C(O)c1ccccc1OC1CCC1
504298,O=C(O)c1ccccc1OC1CCC1,193.08592,[M+H]+,20.0,test,O=C(O)c1ccccc1OC1CCC1
504299,CCOC(=O)/C=C/c1ccc(O)cc1,191.07137,[M-H]-,20.0,test,CCOC(=O)/C=C/c1ccc(O)cc1
504300,CCOC(=O)/C=C/c1ccc(O)cc1,191.07137,[M-H]-,20.0,test,CCOC(=O)/C=C/c1ccc(O)cc1
504301,CCOC(=O)/C=C/c1ccc(O)cc1,191.07137,[M-H]-,30.0,test,CCOC(=O)/C=C/c1ccc(O)cc1
504302,CCOC(=O)/C=C/c1ccc(O)cc1,191.07137,[M-H]-,60.0,test,CCOC(=O)/C=C/c1ccc(O)cc1
504303,CCOC(=O)/C=C/c1ccc(O)cc1,191.07137,[M-H]-,20.0,test,CCOC(=O)/C=C/c1ccc(O)cc1
504304,CCOC(=O)/C=C/c1ccc(O)cc1,191.07137,[M-H]-,45.0,test,CCOC(=O)/C=C/c1ccc(O)cc1
504305,CCOC(=O)/C=C/c1ccc(O)cc1,191.07137,[M-H]-,20.0,test,CCOC(=O)/C=C/c1ccc(O)cc1
504306,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1,239.03835,[M-H]-,20.0,test,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
504307,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1,239.03835,[M-H]-,20.0,test,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
504308,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1,239.03835,[M-H]-,60.0,test,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
504309,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1,239.03835,[M-H]-,30.0,test,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
504310,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1,239.03835,[M-H]-,20.0,test,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
504311,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1,239.03835,[M-H]-,60.0,test,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
504312,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1,239.03835,[M-H]-,30.0,test,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
504313,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1,239.03835,[M-H]-,20.0,test,O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
504314,O=C(NCC1COCCO1)c1c(Br)cccn1,301.01823,[M+H]+,30.0,test,O=C(NCC1COCCO1)c1ncccc1Br
504315,O=C(NCC1COCCO1)c1c(Br)cccn1,301.01823,[M+H]+,30.0,test,O=C(NCC1COCCO1)c1ncccc1Br
504316,O=C(NCC1COCCO1)c1c(Br)cccn1,301.01823,[M+H]+,20.0,test,O=C(NCC1COCCO1)c1ncccc1Br
504317,O=C(NCC1COCCO1)c1c(Br)cccn1,301.01823,[M+H]+,60.0,test,O=C(NCC1COCCO1)c1ncccc1Br
504318,O=C(NCC1COCCO1)c1c(Br)cccn1,301.01823,[M+H]+,30.0,test,O=C(NCC1COCCO1)c1ncccc1Br
504319,O=C(NCC1COCCO1)c1c(Br)cccn1,301.01823,[M+H]+,20.0,test,O=C(NCC1COCCO1)c1ncccc1Br
504320,O=C(NCC1COCCO1)c1c(Br)cccn1,301.01823,[M+H]+,60.0,test,O=C(NCC1COCCO1)c1ncccc1Br
504321,O=C(NCC1COCCO1)c1c(Br)cccn1,301.01823,[M+H]+,30.0,test,O=C(NCC1COCCO1)c1ncccc1Br
504322,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,20.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504323,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,20.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504324,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,60.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504325,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,30.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504326,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,20.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504327,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1,301.01823,[M+H]+,30.0,test,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1
504328,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1,301.01823,[M+H]+,30.0,test,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1
504329,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1,301.01823,[M+H]+,60.0,test,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1
504330,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1,301.01823,[M+H]+,20.0,test,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1
504331,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1,301.01823,[M+H]+,30.0,test,NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1
504332,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,20.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504333,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,20.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504334,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,60.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504335,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,15.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504336,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1,301.01823,[M+H]+,20.0,test,CCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
504337,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,330.97575,[M-H]-,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504338,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,330.97575,[M-H]-,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504339,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,330.97575,[M-H]-,60.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504340,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,330.97575,[M-H]-,30.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504341,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,330.97575,[M-H]-,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504342,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,366.95243,[M+Cl]-,15.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504343,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,376.98123,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504344,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,376.98123,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504345,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,376.98123,[M+FA]-,60.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504346,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,376.98123,[M+FA]-,15.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504347,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,376.98123,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504348,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,330.97575,[M-H]-,20.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504349,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,330.97575,[M-H]-,20.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504350,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,330.97575,[M-H]-,60.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504351,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,330.97575,[M-H]-,30.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504352,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,330.97575,[M-H]-,20.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504353,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O,376.98123,[M+FA]-,20.0,test,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O
504354,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O,376.98123,[M+FA]-,20.0,test,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O
504355,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O,376.98123,[M+FA]-,60.0,test,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O
504356,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O,376.98123,[M+FA]-,15.0,test,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O
504357,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O,376.98123,[M+FA]-,20.0,test,NC(=O)CN1C(c2ccc(Br)cc2)CCS1(=O)=O
504358,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,332.9903,[M+H]+,20.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504359,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,332.9903,[M+H]+,20.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504360,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,332.9903,[M+H]+,60.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504361,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,332.9903,[M+H]+,30.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504362,O=C(CC1CCS(=O)(=O)C1)Nc1ncc(Br)cc1,332.9903,[M+H]+,20.0,test,O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Br)cn1
504363,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,332.9903,[M+H]+,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504364,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,332.9903,[M+H]+,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504365,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,332.9903,[M+H]+,60.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504366,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,332.9903,[M+H]+,15.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504367,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1,332.9903,[M+H]+,20.0,test,O=C(NCC(=O)N1CCOCC1)c1csc(Br)c1
504368,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,330.99351,[M-H]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504369,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,330.99351,[M-H]-,60.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504370,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,330.99351,[M-H]-,15.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504371,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,330.99351,[M-H]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504372,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504373,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504374,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,60.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504375,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,15.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504376,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504377,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504378,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504379,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,60.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504380,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,15.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504381,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504382,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,330.99351,[M-H]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504383,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,330.99351,[M-H]-,60.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504384,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,330.99351,[M-H]-,15.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504385,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,330.99351,[M-H]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504386,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504387,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504388,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,60.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504389,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,15.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504390,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,366.97019,[M+Cl]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504391,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504392,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504393,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,60.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504394,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,15.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504395,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,376.99899,[M+FA]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
504396,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,289.09178,[M-H]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504397,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,289.09178,[M-H]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504398,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,289.09178,[M-H]-,60.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504399,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,289.09178,[M-H]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504400,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,289.09178,[M-H]-,45.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504401,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,289.09178,[M-H]-,60.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504402,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,289.09178,[M-H]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504403,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,289.09178,[M-H]-,45.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504404,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,325.06846,[M+Cl]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504405,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,325.06846,[M+Cl]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504406,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,325.06846,[M+Cl]-,60.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504407,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,325.06846,[M+Cl]-,15.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504408,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,325.06846,[M+Cl]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504409,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,335.09726,[M+FA]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504410,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,335.09726,[M+FA]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504411,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,335.09726,[M+FA]-,60.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504412,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,335.09726,[M+FA]-,15.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504413,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,335.09726,[M+FA]-,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504414,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,289.09178,[M-H]-,20.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504415,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,289.09178,[M-H]-,20.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504416,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,289.09178,[M-H]-,60.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504417,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,289.09178,[M-H]-,20.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504418,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,289.09178,[M-H]-,45.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504419,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,289.09178,[M-H]-,60.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504420,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,289.09178,[M-H]-,20.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504421,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,289.09178,[M-H]-,45.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504422,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,291.10634,[M+H]+,20.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504423,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,291.10634,[M+H]+,20.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504424,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,291.10634,[M+H]+,60.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504425,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,291.10634,[M+H]+,30.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504426,NC(=O)C1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2)C1,291.10634,[M+H]+,20.0,test,NC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
504427,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,291.10634,[M+H]+,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504428,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,291.10634,[M+H]+,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504429,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,291.10634,[M+H]+,60.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504430,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,291.10634,[M+H]+,30.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504431,O=C1CCC[C@H](C(=O)Nc2cn(CC(F)(F)F)nc2)N1,291.10634,[M+H]+,20.0,test,O=C1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)N1
504432,CC(C)(NC(=O)c1ncc(C(=O)O)cc1)C(N)=O,250.08333,[M-H]-,20.0,test,CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O
504433,CC(C)(NC(=O)c1ncc(C(=O)O)cc1)C(N)=O,250.08333,[M-H]-,20.0,test,CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O
504434,CC(C)(NC(=O)c1ncc(C(=O)O)cc1)C(N)=O,250.08333,[M-H]-,60.0,test,CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O
504435,CC(C)(NC(=O)c1ncc(C(=O)O)cc1)C(N)=O,250.08333,[M-H]-,30.0,test,CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O
504436,CC(C)(NC(=O)c1ncc(C(=O)O)cc1)C(N)=O,250.08333,[M-H]-,20.0,test,CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O
504437,CC(C)(NC(=O)c1ncc(C(=O)O)cc1)C(N)=O,250.08333,[M-H]-,60.0,test,CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O
504438,CC(C)(NC(=O)c1ncc(C(=O)O)cc1)C(N)=O,250.08333,[M-H]-,30.0,test,CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O
504439,CC(C)(NC(=O)c1ncc(C(=O)O)cc1)C(N)=O,250.08333,[M-H]-,20.0,test,CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O
504440,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1,252.09788,[M+H]+,20.0,test,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1
504441,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1,252.09788,[M+H]+,20.0,test,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1
504442,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1,252.09788,[M+H]+,60.0,test,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1
504443,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1,252.09788,[M+H]+,30.0,test,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1
504444,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1,252.09788,[M+H]+,20.0,test,Cc1cc(=O)c(COC(=O)C2CNC(=O)C2)n[nH]1
504445,COc1nc2c(cc1)ncc(=O)n2C(CO)CO,234.08732,[M+H-H2O]+,20.0,test,COc1ccc2ncc(=O)n(C(CO)CO)c2n1
504446,COc1nc2c(cc1)ncc(=O)n2C(CO)CO,234.08732,[M+H-H2O]+,60.0,test,COc1ccc2ncc(=O)n(C(CO)CO)c2n1
504447,COc1nc2c(cc1)ncc(=O)n2C(CO)CO,234.08732,[M+H-H2O]+,20.0,test,COc1ccc2ncc(=O)n(C(CO)CO)c2n1
504448,COc1nc2c(cc1)ncc(=O)n2C(CO)CO,234.08732,[M+H-H2O]+,45.0,test,COc1ccc2ncc(=O)n(C(CO)CO)c2n1
504449,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,296.08881,[M+FA]-,20.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504450,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,296.08881,[M+FA]-,20.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504451,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,296.08881,[M+FA]-,60.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504452,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,296.08881,[M+FA]-,15.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504453,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,296.08881,[M+FA]-,20.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504454,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,252.09788,[M+H]+,15.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504455,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,252.09788,[M+H]+,15.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504456,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,252.09788,[M+H]+,60.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504457,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,252.09788,[M+H]+,20.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504458,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N,252.09788,[M+H]+,15.0,test,C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
504459,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,266.07825,[M-H]-,20.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504460,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,266.07825,[M-H]-,20.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504461,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,266.07825,[M-H]-,60.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504462,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,266.07825,[M-H]-,30.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504463,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,266.07825,[M-H]-,20.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504464,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,266.07825,[M-H]-,60.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504465,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,266.07825,[M-H]-,30.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504466,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,266.07825,[M-H]-,20.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504467,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,268.0928,[M+H]+,20.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504468,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,268.0928,[M+H]+,20.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504469,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,268.0928,[M+H]+,60.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504470,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,268.0928,[M+H]+,15.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504471,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O,268.0928,[M+H]+,20.0,test,Cn1c(=O)[nH]cc(C(=O)N2CCCC2C(=O)O)c1=O
504472,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,266.07825,[M-H]-,20.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504473,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,266.07825,[M-H]-,20.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504474,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,266.07825,[M-H]-,60.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504475,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,266.07825,[M-H]-,30.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504476,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,266.07825,[M-H]-,20.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504477,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504478,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504479,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,60.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504480,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,15.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504481,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504482,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,268.0928,[M+H]+,20.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504483,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,268.0928,[M+H]+,20.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504484,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,268.0928,[M+H]+,60.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504485,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,268.0928,[M+H]+,15.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504486,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,268.0928,[M+H]+,20.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504487,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,268.0928,[M+H]+,60.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504488,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,268.0928,[M+H]+,15.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504489,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,268.0928,[M+H]+,20.0,test,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
504490,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504491,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504492,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,60.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504493,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,15.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504494,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504495,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504496,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504497,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,60.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504498,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,15.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504499,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,268.0928,[M+H]+,20.0,test,C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
504500,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,326.02095,[M-H]-,20.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504501,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,326.02095,[M-H]-,20.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504502,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,326.02095,[M-H]-,60.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504503,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,326.02095,[M-H]-,30.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504504,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,326.02095,[M-H]-,20.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504505,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,328.0355,[M+H]+,20.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504506,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,328.0355,[M+H]+,20.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504507,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,328.0355,[M+H]+,60.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504508,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,328.0355,[M+H]+,15.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504509,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,328.0355,[M+H]+,20.0,test,CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
504510,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1,296.05053,[M+H]+,20.0,test,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1
504511,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1,296.05053,[M+H]+,20.0,test,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1
504512,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1,296.05053,[M+H]+,60.0,test,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1
504513,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1,296.05053,[M+H]+,20.0,test,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1
504514,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1,296.05053,[M+H]+,45.0,test,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1
504515,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1,296.05053,[M+H]+,60.0,test,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1
504516,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1,296.05053,[M+H]+,20.0,test,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1
504517,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1,296.05053,[M+H]+,45.0,test,Cc1nc(C)c(Br)c(NCCc2ccn[nH]2)n1
504518,Cc1nn(C)c(C(=O)NCc2cn(C)nc2)c1Br,312.04545,[M+H]+,20.0,test,Cc1nn(C)c(C(=O)NCc2cnn(C)c2)c1Br
504519,Cc1nn(C)c(C(=O)NCc2cn(C)nc2)c1Br,312.04545,[M+H]+,20.0,test,Cc1nn(C)c(C(=O)NCc2cnn(C)c2)c1Br
504520,Cc1nn(C)c(C(=O)NCc2cn(C)nc2)c1Br,312.04545,[M+H]+,60.0,test,Cc1nn(C)c(C(=O)NCc2cnn(C)c2)c1Br
504521,Cc1nn(C)c(C(=O)NCc2cn(C)nc2)c1Br,312.04545,[M+H]+,30.0,test,Cc1nn(C)c(C(=O)NCc2cnn(C)c2)c1Br
504522,Cc1nn(C)c(C(=O)NCc2cn(C)nc2)c1Br,312.04545,[M+H]+,20.0,test,Cc1nn(C)c(C(=O)NCc2cnn(C)c2)c1Br
504523,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,20.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504524,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,20.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504525,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,60.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504526,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,30.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504527,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,20.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504528,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1,312.04545,[M+H]+,20.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1
504529,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1,312.04545,[M+H]+,20.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1
504530,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1,312.04545,[M+H]+,60.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1
504531,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1,312.04545,[M+H]+,30.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1
504532,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1,312.04545,[M+H]+,20.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1
504533,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1,312.04545,[M+H]+,30.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1
504534,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1,312.04545,[M+H]+,20.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1
504535,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1,312.04545,[M+H]+,60.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)no1
504536,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,20.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504537,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,20.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504538,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,30.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504539,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,60.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504540,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,15.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504541,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,20.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504542,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,60.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504543,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1,312.04545,[M+H]+,20.0,test,Cn1nnc(C(O)CNCc2ccc(Br)cc2)n1
504544,CN(C)C(C)(C(=O)O)c1ccc(F)cc1,212.10813,[M+H]+,20.0,test,CN(C)C(C)(C(=O)O)c1ccc(F)cc1
504545,CN(C)C(C)(C(=O)O)c1ccc(F)cc1,212.10813,[M+H]+,20.0,test,CN(C)C(C)(C(=O)O)c1ccc(F)cc1
504546,CN(C)C(C)(C(=O)O)c1ccc(F)cc1,212.10813,[M+H]+,60.0,test,CN(C)C(C)(C(=O)O)c1ccc(F)cc1
504547,CN(C)C(C)(C(=O)O)c1ccc(F)cc1,212.10813,[M+H]+,15.0,test,CN(C)C(C)(C(=O)O)c1ccc(F)cc1
504548,CN(C)C(C)(C(=O)O)c1ccc(F)cc1,212.10813,[M+H]+,20.0,test,CN(C)C(C)(C(=O)O)c1ccc(F)cc1
504549,CN(C)C(C)(C(=O)O)c1ccc(F)cc1,212.10813,[M+H]+,60.0,test,CN(C)C(C)(C(=O)O)c1ccc(F)cc1
504550,CN(C)C(C)(C(=O)O)c1ccc(F)cc1,212.10813,[M+H]+,15.0,test,CN(C)C(C)(C(=O)O)c1ccc(F)cc1
504551,CN(C)C(C)(C(=O)O)c1ccc(F)cc1,212.10813,[M+H]+,20.0,test,CN(C)C(C)(C(=O)O)c1ccc(F)cc1
504552,Cc1c(CCN)c2c(ccc(O)c2)[nH]1,191.11789,[M+H]+,20.0,test,Cc1[nH]c2ccc(O)cc2c1CCN
504553,Cc1c(CCN)c2c(ccc(O)c2)[nH]1,191.11789,[M+H]+,20.0,test,Cc1[nH]c2ccc(O)cc2c1CCN
504554,Cc1c(CCN)c2c(ccc(O)c2)[nH]1,191.11789,[M+H]+,15.0,test,Cc1[nH]c2ccc(O)cc2c1CCN
504555,Cc1c(CCN)c2c(ccc(O)c2)[nH]1,191.11789,[M+H]+,60.0,test,Cc1[nH]c2ccc(O)cc2c1CCN
504556,Cc1c(CCN)c2c(ccc(O)c2)[nH]1,191.11789,[M+H]+,20.0,test,Cc1[nH]c2ccc(O)cc2c1CCN
504557,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,20.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504558,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,20.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504559,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,60.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504560,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,20.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504561,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,45.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504562,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,20.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504563,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,20.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504564,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,60.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504565,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,20.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504566,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,45.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504567,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,60.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504568,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,20.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504569,O=c1cccc2[C@H]3CNC[C@H](C3)Cn21,191.11789,[M+H]+,45.0,test,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
504570,c1cnc2c(c1)COC21CCNCC1,191.11789,[M+H]+,20.0,test,c1cnc2c(c1)COC21CCNCC1
504571,c1cnc2c(c1)COC21CCNCC1,191.11789,[M+H]+,20.0,test,c1cnc2c(c1)COC21CCNCC1
504572,c1cnc2c(c1)COC21CCNCC1,191.11789,[M+H]+,45.0,test,c1cnc2c(c1)COC21CCNCC1
504573,c1cnc2c(c1)COC21CCNCC1,191.11789,[M+H]+,60.0,test,c1cnc2c(c1)COC21CCNCC1
504574,c1cnc2c(c1)COC21CCNCC1,191.11789,[M+H]+,20.0,test,c1cnc2c(c1)COC21CCNCC1
504575,c1cnc2c(c1)COC21CCNCC1,191.11789,[M+H]+,60.0,test,c1cnc2c(c1)COC21CCNCC1
504576,c1cnc2c(c1)COC21CCNCC1,191.11789,[M+H]+,20.0,test,c1cnc2c(c1)COC21CCNCC1
504577,c1cnc2c(c1)COC21CCNCC1,191.11789,[M+H]+,45.0,test,c1cnc2c(c1)COC21CCNCC1
504578,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,20.0,test,CSC1=NCCN1Cc1ccccc1
504579,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,20.0,test,CSC1=NCCN1Cc1ccccc1
504580,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,60.0,test,CSC1=NCCN1Cc1ccccc1
504581,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,30.0,test,CSC1=NCCN1Cc1ccccc1
504582,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,20.0,test,CSC1=NCCN1Cc1ccccc1
504583,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,60.0,test,CSC1=NCCN1Cc1ccccc1
504584,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,30.0,test,CSC1=NCCN1Cc1ccccc1
504585,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,20.0,test,CSC1=NCCN1Cc1ccccc1
504586,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,20.0,test,CSC1=NCCN1Cc1ccccc1
504587,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,20.0,test,CSC1=NCCN1Cc1ccccc1
504588,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,60.0,test,CSC1=NCCN1Cc1ccccc1
504589,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,30.0,test,CSC1=NCCN1Cc1ccccc1
504590,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,20.0,test,CSC1=NCCN1Cc1ccccc1
504591,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,60.0,test,CSC1=NCCN1Cc1ccccc1
504592,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,30.0,test,CSC1=NCCN1Cc1ccccc1
504593,CSC1=NCCN1Cc1ccccc1,207.09504,[M+H]+,20.0,test,CSC1=NCCN1Cc1ccccc1
504594,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,309.05978,[M-H]-,20.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504595,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,309.05978,[M-H]-,20.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504596,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,309.05978,[M-H]-,60.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504597,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,309.05978,[M-H]-,15.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504598,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,309.05978,[M-H]-,20.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504599,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,311.07433,[M+H]+,20.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504600,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,311.07433,[M+H]+,20.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504601,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,311.07433,[M+H]+,60.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504602,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,311.07433,[M+H]+,15.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504603,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,311.07433,[M+H]+,20.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504604,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,311.07433,[M+H]+,20.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504605,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,311.07433,[M+H]+,60.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504606,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1,311.07433,[M+H]+,15.0,test,CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
504607,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,20.0,test,C/C=C/c1ccc(OC)c(OC)c1
504608,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,20.0,test,C/C=C/c1ccc(OC)c(OC)c1
504609,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,45.0,test,C/C=C/c1ccc(OC)c(OC)c1
504610,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,60.0,test,C/C=C/c1ccc(OC)c(OC)c1
504611,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,20.0,test,C/C=C/c1ccc(OC)c(OC)c1
504612,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,30.0,test,C/C=C/c1ccc(OC)c(OC)c1
504613,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,30.0,test,C/C=C/c1ccc(OC)c(OC)c1
504614,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,20.0,test,C/C=C/c1ccc(OC)c(OC)c1
504615,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,60.0,test,C/C=C/c1ccc(OC)c(OC)c1
504616,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,30.0,test,C/C=C/c1ccc(OC)c(OC)c1
504617,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,20.0,test,C/C=C/c1ccc(OC)c(OC)c1
504618,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,30.0,test,C/C=C/c1ccc(OC)c(OC)c1
504619,C/C=C/c1ccc(OC)c(OC)c1,223.09758,[M+FA]-,60.0,test,C/C=C/c1ccc(OC)c(OC)c1
504620,CC(C)CC(=O)c1c(O)cc(O)cc1O,209.08193,[M-H]-,20.0,test,CC(C)CC(=O)c1c(O)cc(O)cc1O
504621,CC(C)CC(=O)c1c(O)cc(O)cc1O,209.08193,[M-H]-,20.0,test,CC(C)CC(=O)c1c(O)cc(O)cc1O
504622,CC(C)CC(=O)c1c(O)cc(O)cc1O,209.08193,[M-H]-,60.0,test,CC(C)CC(=O)c1c(O)cc(O)cc1O
504623,CC(C)CC(=O)c1c(O)cc(O)cc1O,209.08193,[M-H]-,20.0,test,CC(C)CC(=O)c1c(O)cc(O)cc1O
504624,CC(C)CC(=O)c1c(O)cc(O)cc1O,209.08193,[M-H]-,45.0,test,CC(C)CC(=O)c1c(O)cc(O)cc1O
504625,CC(C)CC(=O)c1c(O)cc(O)cc1O,209.08193,[M-H]-,60.0,test,CC(C)CC(=O)c1c(O)cc(O)cc1O
504626,CC(C)CC(=O)c1c(O)cc(O)cc1O,209.08193,[M-H]-,20.0,test,CC(C)CC(=O)c1c(O)cc(O)cc1O
504627,CC(C)CC(=O)c1c(O)cc(O)cc1O,209.08193,[M-H]-,45.0,test,CC(C)CC(=O)c1c(O)cc(O)cc1O
504628,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,225.07685,[M-H]-,20.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504629,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,225.07685,[M-H]-,20.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504630,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,225.07685,[M-H]-,60.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504631,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,225.07685,[M-H]-,30.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504632,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,225.07685,[M-H]-,20.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504633,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,227.0914,[M+H]+,20.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504634,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,227.0914,[M+H]+,20.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504635,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,227.0914,[M+H]+,60.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504636,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,227.0914,[M+H]+,30.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504637,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2,227.0914,[M+H]+,20.0,test,Cc1c(O)c2c(oc1=O)C(C)(O)C(C)OC2
504638,CC(C)(C)/[N+]([O-])=C/c1ccccc1,178.12264,[M+H]+,20.0,test,CC(C)(C)/[N+]([O-])=C/c1ccccc1
504639,CC(C)(C)/[N+]([O-])=C/c1ccccc1,178.12264,[M+H]+,20.0,test,CC(C)(C)/[N+]([O-])=C/c1ccccc1
504640,CC(C)(C)/[N+]([O-])=C/c1ccccc1,178.12264,[M+H]+,60.0,test,CC(C)(C)/[N+]([O-])=C/c1ccccc1
504641,CC(C)(C)/[N+]([O-])=C/c1ccccc1,178.12264,[M+H]+,15.0,test,CC(C)(C)/[N+]([O-])=C/c1ccccc1
504642,CC(C)(C)/[N+]([O-])=C/c1ccccc1,178.12264,[M+H]+,20.0,test,CC(C)(C)/[N+]([O-])=C/c1ccccc1
504643,CCN(CC)c1ccc(C=O)cc1,178.12264,[M+H]+,20.0,test,CCN(CC)c1ccc(C=O)cc1
504644,CCN(CC)c1ccc(C=O)cc1,178.12264,[M+H]+,20.0,test,CCN(CC)c1ccc(C=O)cc1
504645,CCN(CC)c1ccc(C=O)cc1,178.12264,[M+H]+,60.0,test,CCN(CC)c1ccc(C=O)cc1
504646,CCN(CC)c1ccc(C=O)cc1,178.12264,[M+H]+,30.0,test,CCN(CC)c1ccc(C=O)cc1
504647,CCN(CC)c1ccc(C=O)cc1,178.12264,[M+H]+,20.0,test,CCN(CC)c1ccc(C=O)cc1
504648,CCN(CC)c1ccc(C=O)cc1,178.12264,[M+H]+,45.0,test,CCN(CC)c1ccc(C=O)cc1
504649,CCN(CC)c1ccc(C=O)cc1,178.12264,[M+H]+,60.0,test,CCN(CC)c1ccc(C=O)cc1
504650,CCN(CC)c1ccc(C=O)cc1,178.12264,[M+H]+,20.0,test,CCN(CC)c1ccc(C=O)cc1
504651,COc1ccccc1OCC(O)COC(N)=O,264.08424,[M+Na]+,20.0,test,COc1ccccc1OCC(O)COC(N)=O
504652,COc1ccccc1OCC(O)COC(N)=O,264.08424,[M+Na]+,60.0,test,COc1ccccc1OCC(O)COC(N)=O
504653,COc1ccccc1OCC(O)COC(N)=O,264.08424,[M+Na]+,20.0,test,COc1ccccc1OCC(O)COC(N)=O
504654,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O,227.0925,[M-H]-,20.0,test,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O
504655,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O,227.0925,[M-H]-,20.0,test,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O
504656,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O,227.0925,[M-H]-,60.0,test,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O
504657,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O,227.0925,[M-H]-,30.0,test,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O
504658,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O,227.0925,[M-H]-,20.0,test,CCCC[C@@H](O)[C@@H]1OC(=O)C(C)=C1C(=O)O
504659,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,273.09798,[M+FA]-,20.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504660,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,273.09798,[M+FA]-,60.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504661,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,273.09798,[M+FA]-,15.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504662,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,273.09798,[M+FA]-,20.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504663,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,229.10705,[M+H]+,20.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504664,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,229.10705,[M+H]+,20.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504665,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,229.10705,[M+H]+,60.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504666,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,229.10705,[M+H]+,15.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504667,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1,229.10705,[M+H]+,20.0,test,CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1
504668,COc1cc(=O)oc(C(C)C(C)O)c1CO,193.08593,[M+H-2H2O]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504669,COc1cc(=O)oc(C(C)C(C)O)c1CO,193.08593,[M+H-2H2O]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504670,COc1cc(=O)oc(C(C)C(C)O)c1CO,193.08593,[M+H-2H2O]+,60.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504671,COc1cc(=O)oc(C(C)C(C)O)c1CO,193.08593,[M+H-2H2O]+,30.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504672,COc1cc(=O)oc(C(C)C(C)O)c1CO,193.08593,[M+H-2H2O]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504673,COc1cc(=O)oc(C(C)C(C)O)c1CO,229.10705,[M+H]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504674,COc1cc(=O)oc(C(C)C(C)O)c1CO,229.10705,[M+H]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504675,COc1cc(=O)oc(C(C)C(C)O)c1CO,229.10705,[M+H]+,60.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504676,COc1cc(=O)oc(C(C)C(C)O)c1CO,229.10705,[M+H]+,15.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504677,COc1cc(=O)oc(C(C)C(C)O)c1CO,229.10705,[M+H]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504678,COc1cc(=O)oc(C(C)C(C)O)c1CO,229.10705,[M+H]+,60.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504679,COc1cc(=O)oc(C(C)C(C)O)c1CO,229.10705,[M+H]+,15.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504680,COc1cc(=O)oc(C(C)C(C)O)c1CO,229.10705,[M+H]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504681,COc1cc(=O)oc(C(C)C(C)O)c1CO,251.08899,[M+Na]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504682,COc1cc(=O)oc(C(C)C(C)O)c1CO,251.08899,[M+Na]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504683,COc1cc(=O)oc(C(C)C(C)O)c1CO,251.08899,[M+Na]+,60.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504684,COc1cc(=O)oc(C(C)C(C)O)c1CO,251.08899,[M+Na]+,30.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504685,COc1cc(=O)oc(C(C)C(C)O)c1CO,251.08899,[M+Na]+,20.0,test,COc1cc(=O)oc(C(C)C(C)O)c1CO
504686,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O,254.11463,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
504687,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O,254.11463,[M-H]-,30.0,test,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
504688,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O,256.12918,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
504689,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O,256.12918,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
504690,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O,256.12918,[M+H]+,60.0,test,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
504691,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O,256.12918,[M+H]+,15.0,test,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
504692,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O,256.12918,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
504693,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,318.0797,[M-H]-,20.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504694,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,318.0797,[M-H]-,20.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504695,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,318.0797,[M-H]-,60.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504696,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,318.0797,[M-H]-,30.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504697,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,318.0797,[M-H]-,20.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504698,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,318.0797,[M-H]-,20.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504699,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,318.0797,[M-H]-,30.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504700,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,318.0797,[M-H]-,60.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504701,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,320.09425,[M+H]+,20.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504702,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,320.09425,[M+H]+,20.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504703,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,320.09425,[M+H]+,60.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504704,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,320.09425,[M+H]+,15.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504705,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl,320.09425,[M+H]+,20.0,test,CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl
504706,CC(C)CC1COCCN1C(=O)Nc1cnns1,269.10777,[M-H]-,20.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504707,CC(C)CC1COCCN1C(=O)Nc1cnns1,269.10777,[M-H]-,20.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504708,CC(C)CC1COCCN1C(=O)Nc1cnns1,269.10777,[M-H]-,60.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504709,CC(C)CC1COCCN1C(=O)Nc1cnns1,269.10777,[M-H]-,30.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504710,CC(C)CC1COCCN1C(=O)Nc1cnns1,269.10777,[M-H]-,20.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504711,CC(C)CC1COCCN1C(=O)Nc1cnns1,269.10777,[M-H]-,60.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504712,CC(C)CC1COCCN1C(=O)Nc1cnns1,269.10777,[M-H]-,30.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504713,CC(C)CC1COCCN1C(=O)Nc1cnns1,269.10777,[M-H]-,20.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504714,CC(C)CC1COCCN1C(=O)Nc1cnns1,271.12232,[M+H]+,20.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504715,CC(C)CC1COCCN1C(=O)Nc1cnns1,271.12232,[M+H]+,20.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504716,CC(C)CC1COCCN1C(=O)Nc1cnns1,271.12232,[M+H]+,60.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504717,CC(C)CC1COCCN1C(=O)Nc1cnns1,271.12232,[M+H]+,15.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504718,CC(C)CC1COCCN1C(=O)Nc1cnns1,271.12232,[M+H]+,20.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504719,CC(C)CC1COCCN1C(=O)Nc1cnns1,271.12232,[M+H]+,60.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504720,CC(C)CC1COCCN1C(=O)Nc1cnns1,271.12232,[M+H]+,20.0,test,CC(C)CC1COCCN1C(=O)Nc1cnns1
504721,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1,271.12232,[M+H]+,15.0,test,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1
504722,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1,271.12232,[M+H]+,15.0,test,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1
504723,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1,271.12232,[M+H]+,20.0,test,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1
504724,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1,271.12232,[M+H]+,60.0,test,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1
504725,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1,271.12232,[M+H]+,15.0,test,Cc1nnsc1C(=O)N1CCN(CC(C)O)CC1
504726,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1,303.11215,[M+H]+,20.0,test,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1
504727,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1,303.11215,[M+H]+,20.0,test,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1
504728,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1,303.11215,[M+H]+,60.0,test,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1
504729,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1,303.11215,[M+H]+,30.0,test,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1
504730,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1,303.11215,[M+H]+,20.0,test,COCC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1
504731,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,20.0,test,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504732,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,20.0,test,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504733,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,60.0,test,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504734,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,15.0,test,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504735,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,20.0,test,CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504736,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,20.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504737,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,20.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504738,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,60.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504739,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,15.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504740,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,306.11944,[M+FA]-,20.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504741,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,279.15506,[M+NH4]+,20.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504742,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,279.15506,[M+NH4]+,20.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504743,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,279.15506,[M+NH4]+,60.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504744,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,279.15506,[M+NH4]+,15.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504745,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,279.15506,[M+NH4]+,20.0,test,CC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
504746,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1,260.11396,[M-H]-,20.0,test,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1
504747,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1,260.11396,[M-H]-,20.0,test,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1
504748,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1,260.11396,[M-H]-,45.0,test,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1
504749,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1,260.11396,[M-H]-,60.0,test,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1
504750,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1,260.11396,[M-H]-,20.0,test,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1
504751,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1,260.11396,[M-H]-,20.0,test,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1
504752,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1,260.11396,[M-H]-,45.0,test,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1
504753,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1,260.11396,[M-H]-,60.0,test,CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1
504754,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1,289.13289,[M+H]+,20.0,test,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1
504755,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1,289.13289,[M+H]+,20.0,test,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1
504756,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1,289.13289,[M+H]+,60.0,test,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1
504757,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1,289.13289,[M+H]+,30.0,test,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1
504758,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1,289.13289,[M+H]+,20.0,test,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1
504759,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1,289.13289,[M+H]+,60.0,test,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1
504760,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1,289.13289,[M+H]+,30.0,test,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1
504761,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1,289.13289,[M+H]+,20.0,test,Cc1nn(C)cc1C(C)NS(=O)(=O)N1CCOCC1
504762,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C,337.09987,[M+H]+,20.0,test,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C
504763,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C,337.09987,[M+H]+,20.0,test,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C
504764,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C,337.09987,[M+H]+,45.0,test,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C
504765,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C,337.09987,[M+H]+,60.0,test,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C
504766,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C,337.09987,[M+H]+,20.0,test,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C
504767,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C,337.09987,[M+H]+,45.0,test,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C
504768,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C,337.09987,[M+H]+,20.0,test,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C
504769,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C,337.09987,[M+H]+,60.0,test,Cc1nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cn1C
504770,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C,215.1754,[M+H]+,20.0,test,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C
504771,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C,215.1754,[M+H]+,20.0,test,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C
504772,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C,215.1754,[M+H]+,60.0,test,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C
504773,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C,215.1754,[M+H]+,15.0,test,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C
504774,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C,215.1754,[M+H]+,20.0,test,C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C
504775,CC1(C)CN(C(=O)OC(C)(C)C)CCN1,215.1754,[M+H]+,20.0,test,CC1(C)CN(C(=O)OC(C)(C)C)CCN1
504776,CC1(C)CN(C(=O)OC(C)(C)C)CCN1,215.1754,[M+H]+,20.0,test,CC1(C)CN(C(=O)OC(C)(C)C)CCN1
504777,CC1(C)CN(C(=O)OC(C)(C)C)CCN1,215.1754,[M+H]+,60.0,test,CC1(C)CN(C(=O)OC(C)(C)C)CCN1
504778,CC1(C)CN(C(=O)OC(C)(C)C)CCN1,215.1754,[M+H]+,15.0,test,CC1(C)CN(C(=O)OC(C)(C)C)CCN1
504779,CC1(C)CN(C(=O)OC(C)(C)C)CCN1,215.1754,[M+H]+,20.0,test,CC1(C)CN(C(=O)OC(C)(C)C)CCN1
504780,CC(C)(C)OC(=O)N1CCC(CN)CC1,215.1754,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCC(CN)CC1
504781,CC(C)(C)OC(=O)N1CCC(CN)CC1,215.1754,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCC(CN)CC1
504782,CC(C)(C)OC(=O)N1CCC(CN)CC1,215.1754,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCC(CN)CC1
504783,CC(C)(C)OC(=O)N1CCC(CN)CC1,215.1754,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCC(CN)CC1
504784,CC(C)(C)OC(=O)N1CCC(CN)CC1,215.1754,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCC(CN)CC1
504785,CC(=O)NCCCCNCCCNC(C)=O,230.1863,[M+H]+,20.0,test,CC(=O)NCCCCNCCCNC(C)=O
504786,CC(=O)NCCCCNCCCNC(C)=O,230.1863,[M+H]+,20.0,test,CC(=O)NCCCCNCCCNC(C)=O
504787,CC(=O)NCCCCNCCCNC(C)=O,230.1863,[M+H]+,60.0,test,CC(=O)NCCCCNCCCNC(C)=O
504788,CC(=O)NCCCCNCCCNC(C)=O,230.1863,[M+H]+,30.0,test,CC(=O)NCCCCNCCCNC(C)=O
504789,CC(=O)NCCCCNCCCNC(C)=O,230.1863,[M+H]+,20.0,test,CC(=O)NCCCCNCCCNC(C)=O
504790,CC(=O)NCCCCNCCCNC(C)=O,230.1863,[M+H]+,60.0,test,CC(=O)NCCCCNCCCNC(C)=O
504791,CC(=O)NCCCCNCCCNC(C)=O,230.1863,[M+H]+,30.0,test,CC(=O)NCCCCNCCCNC(C)=O
504792,CC(=O)NCCCCNCCCNC(C)=O,230.1863,[M+H]+,20.0,test,CC(=O)NCCCCNCCCNC(C)=O
504793,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,268.00947,[M-H]-,20.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504794,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,268.00947,[M-H]-,20.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504795,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,268.00947,[M-H]-,60.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504796,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,268.00947,[M-H]-,20.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504797,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,268.00947,[M-H]-,45.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504798,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,268.00947,[M-H]-,60.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504799,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,268.00947,[M-H]-,20.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504800,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,268.00947,[M-H]-,45.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504801,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,303.98615,[M+Cl]-,20.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504802,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,303.98615,[M+Cl]-,20.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504803,O=C(Nc1cnc(Cl)nc1)c1cc(F)c(F)cc1,303.98615,[M+Cl]-,60.0,test,O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
504804,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,240.02779,[M-H]-,20.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504805,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,240.02779,[M-H]-,20.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504806,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,240.02779,[M-H]-,60.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504807,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,240.02779,[M-H]-,15.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504808,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,240.02779,[M-H]-,20.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504809,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,240.02779,[M-H]-,60.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504810,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,240.02779,[M-H]-,15.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504811,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,240.02779,[M-H]-,20.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504812,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,240.02779,[M-H]-,20.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504813,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,240.02779,[M-H]-,20.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504814,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,240.02779,[M-H]-,15.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504815,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,240.02779,[M-H]-,60.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504816,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,240.02779,[M-H]-,30.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504817,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,240.02779,[M-H]-,20.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504818,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,240.02779,[M-H]-,60.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504819,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,240.02779,[M-H]-,20.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504820,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,242.04234,[M+H]+,20.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504821,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,242.04234,[M+H]+,20.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504822,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,242.04234,[M+H]+,60.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504823,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,242.04234,[M+H]+,20.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504824,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,242.04234,[M+H]+,45.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504825,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,242.04234,[M+H]+,60.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504826,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,242.04234,[M+H]+,20.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504827,O=C(O)c1c(C(F)(F)F)c2ccccc2nc1,242.04234,[M+H]+,45.0,test,O=C(O)c1cnc2ccccc2c1C(F)(F)F
504828,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,242.04234,[M+H]+,20.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504829,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,242.04234,[M+H]+,20.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504830,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,242.04234,[M+H]+,60.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504831,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,242.04234,[M+H]+,20.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504832,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,242.04234,[M+H]+,60.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504833,O=C(O)c1c2cccc(C(F)(F)F)c2cnc1,242.04234,[M+H]+,20.0,test,O=C(O)c1cncc2c(C(F)(F)F)cccc12
504834,O=C1c2ncccc2-c2c1nccc2,183.05529,[M+H]+,20.0,test,O=C1c2ncccc2-c2cccnc21
504835,O=C1c2ncccc2-c2c1nccc2,183.05529,[M+H]+,20.0,test,O=C1c2ncccc2-c2cccnc21
504836,O=C1c2ncccc2-c2c1nccc2,183.05529,[M+H]+,60.0,test,O=C1c2ncccc2-c2cccnc21
504837,O=C1c2ncccc2-c2c1nccc2,183.05529,[M+H]+,20.0,test,O=C1c2ncccc2-c2cccnc21
504838,O=C1c2ncccc2-c2c1nccc2,183.05529,[M+H]+,60.0,test,O=C1c2ncccc2-c2cccnc21
504839,O=c1ccc2c(cc3occc3c2O)o1,201.01933,[M-H]-,20.0,test,O=c1ccc2c(O)c3ccoc3cc2o1
504840,O=c1ccc2c(cc3occc3c2O)o1,201.01933,[M-H]-,20.0,test,O=c1ccc2c(O)c3ccoc3cc2o1
504841,O=c1ccc2c(cc3occc3c2O)o1,201.01933,[M-H]-,60.0,test,O=c1ccc2c(O)c3ccoc3cc2o1
504842,O=c1ccc2c(cc3occc3c2O)o1,201.01933,[M-H]-,20.0,test,O=c1ccc2c(O)c3ccoc3cc2o1
504843,O=c1ccc2c(cc3occc3c2O)o1,201.01933,[M-H]-,45.0,test,O=c1ccc2c(O)c3ccoc3cc2o1
504844,O=C(O)c1c(C(F)(F)F)n(-c2ccccc2)nc1,255.03869,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504845,O=C(O)c1c(C(F)(F)F)n(-c2ccccc2)nc1,255.03869,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504846,O=C(O)c1c(C(F)(F)F)n(-c2ccccc2)nc1,255.03869,[M-H]-,60.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504847,O=C(O)c1c(C(F)(F)F)n(-c2ccccc2)nc1,255.03869,[M-H]-,15.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504848,O=C(O)c1c(C(F)(F)F)n(-c2ccccc2)nc1,255.03869,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504849,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F,255.03869,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504850,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F,255.03869,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504851,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F,255.03869,[M-H]-,60.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504852,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F,255.03869,[M-H]-,15.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504853,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F,255.03869,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504854,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F,255.03869,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504855,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F,255.03869,[M-H]-,15.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504856,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F,255.03869,[M-H]-,60.0,test,O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
504857,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,255.03869,[M-H]-,20.0,test,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
504858,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,255.03869,[M-H]-,20.0,test,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
504859,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,255.03869,[M-H]-,60.0,test,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
504860,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,255.03869,[M-H]-,30.0,test,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
504861,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,255.03869,[M-H]-,20.0,test,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
504862,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,255.03869,[M-H]-,30.0,test,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
504863,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,255.03869,[M-H]-,20.0,test,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
504864,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,255.03869,[M-H]-,60.0,test,CC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
504865,O=C(O)C1(c2cc(C(F)(F)F)cc(F)c2)CC1,247.03877,[M-H]-,20.0,test,O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1
504866,O=C(O)C1(c2cc(C(F)(F)F)cc(F)c2)CC1,247.03877,[M-H]-,20.0,test,O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1
504867,O=C(O)C1(c2cc(C(F)(F)F)cc(F)c2)CC1,247.03877,[M-H]-,60.0,test,O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1
504868,O=C(O)C1(c2cc(C(F)(F)F)cc(F)c2)CC1,247.03877,[M-H]-,15.0,test,O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1
504869,O=C(O)C1(c2cc(C(F)(F)F)cc(F)c2)CC1,247.03877,[M-H]-,20.0,test,O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1
504870,O=C(O)C1(c2cc(C(F)(F)F)cc(F)c2)CC1,247.03877,[M-H]-,60.0,test,O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1
504871,O=C(O)C1(c2cc(C(F)(F)F)cc(F)c2)CC1,247.03877,[M-H]-,15.0,test,O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1
504872,O=C(O)C1(c2cc(C(F)(F)F)cc(F)c2)CC1,247.03877,[M-H]-,20.0,test,O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1
504873,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,339.95885,[M-H]-,20.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504874,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,339.95885,[M-H]-,20.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504875,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,339.95885,[M-H]-,45.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504876,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,339.95885,[M-H]-,60.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504877,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,339.95885,[M-H]-,20.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504878,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,339.95885,[M-H]-,45.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504879,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,339.95885,[M-H]-,60.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504880,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,339.95885,[M-H]-,20.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504881,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,341.9734,[M+H]+,20.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504882,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,341.9734,[M+H]+,20.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504883,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,341.9734,[M+H]+,60.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504884,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,341.9734,[M+H]+,30.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504885,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,341.9734,[M+H]+,20.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504886,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,341.9734,[M+H]+,60.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504887,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,341.9734,[M+H]+,20.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504888,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1,341.9734,[M+H]+,30.0,test,O=C(Nc1[nH]c(=O)ncc1I)c1ccccc1
504889,CCOC(=O)c1nc2c(C#N)cccn2c1I,341.9734,[M+H]+,20.0,test,CCOC(=O)c1nc2c(C#N)cccn2c1I
504890,CCOC(=O)c1nc2c(C#N)cccn2c1I,341.9734,[M+H]+,20.0,test,CCOC(=O)c1nc2c(C#N)cccn2c1I
504891,CCOC(=O)c1nc2c(C#N)cccn2c1I,341.9734,[M+H]+,30.0,test,CCOC(=O)c1nc2c(C#N)cccn2c1I
504892,CCOC(=O)c1nc2c(C#N)cccn2c1I,341.9734,[M+H]+,60.0,test,CCOC(=O)c1nc2c(C#N)cccn2c1I
504893,CCOC(=O)c1nc2c(C#N)cccn2c1I,341.9734,[M+H]+,15.0,test,CCOC(=O)c1nc2c(C#N)cccn2c1I
504894,CCOC(=O)c1nc2c(C#N)cccn2c1I,341.9734,[M+H]+,20.0,test,CCOC(=O)c1nc2c(C#N)cccn2c1I
504895,CCOC(=O)c1nc2c(C#N)cccn2c1I,341.9734,[M+H]+,60.0,test,CCOC(=O)c1nc2c(C#N)cccn2c1I
504896,CCOC(=O)c1nc2c(C#N)cccn2c1I,341.9734,[M+H]+,20.0,test,CCOC(=O)c1nc2c(C#N)cccn2c1I
504897,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,279.00812,[M-H]-,20.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504898,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,279.00812,[M-H]-,20.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504899,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,279.00812,[M-H]-,60.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504900,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,279.00812,[M-H]-,15.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504901,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,279.00812,[M-H]-,20.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504902,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,281.02267,[M+H]+,20.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504903,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,281.02267,[M+H]+,20.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504904,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,281.02267,[M+H]+,60.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504905,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,281.02267,[M+H]+,30.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504906,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,281.02267,[M+H]+,20.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504907,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,281.02267,[M+H]+,30.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504908,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,281.02267,[M+H]+,60.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504909,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,281.02267,[M+H]+,20.0,test,O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
504910,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504911,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504912,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,60.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504913,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,30.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504914,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504915,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504916,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504917,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,60.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504918,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,30.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504919,O=C(O)c1ccc(-c2ccc(O)cc2)s1,219.01214,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccc(O)cc2)s1
504920,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,251.00197,[M-H]-,20.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504921,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,251.00197,[M-H]-,20.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504922,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,251.00197,[M-H]-,60.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504923,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,251.00197,[M-H]-,15.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504924,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,251.00197,[M-H]-,20.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504925,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,253.01652,[M+H]+,20.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504926,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,253.01652,[M+H]+,20.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504927,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,253.01652,[M+H]+,60.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504928,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,253.01652,[M+H]+,30.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504929,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,253.01652,[M+H]+,20.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504930,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,274.99846,[M+Na]+,20.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504931,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,274.99846,[M+Na]+,60.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504932,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,274.99846,[M+Na]+,30.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504933,O=C(O)c1c(S(=O)(=O)c2ccccc2)occ1,274.99846,[M+Na]+,20.0,test,O=C(O)c1ccoc1S(=O)(=O)c1ccccc1
504934,COCc1nn2c(-c3ccc(Br)s3)ccnc2n1,324.97532,[M+H]+,20.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504935,COCc1nn2c(-c3ccc(Br)s3)ccnc2n1,324.97532,[M+H]+,20.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504936,COCc1nn2c(-c3ccc(Br)s3)ccnc2n1,324.97532,[M+H]+,60.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504937,COCc1nn2c(-c3ccc(Br)s3)ccnc2n1,324.97532,[M+H]+,30.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504938,COCc1nn2c(-c3ccc(Br)s3)ccnc2n1,324.97532,[M+H]+,20.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504939,COCc1nc2nccc(-c3ccc(Br)s3)n2n1,324.97532,[M+H]+,30.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504940,COCc1nc2nccc(-c3ccc(Br)s3)n2n1,324.97532,[M+H]+,30.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504941,COCc1nc2nccc(-c3ccc(Br)s3)n2n1,324.97532,[M+H]+,20.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504942,COCc1nc2nccc(-c3ccc(Br)s3)n2n1,324.97532,[M+H]+,60.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504943,COCc1nc2nccc(-c3ccc(Br)s3)n2n1,324.97532,[M+H]+,30.0,test,COCc1nc2nccc(-c3ccc(Br)s3)n2n1
504944,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,252.05901,[M-H]-,20.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504945,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,252.05901,[M-H]-,20.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504946,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,252.05901,[M-H]-,60.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504947,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,252.05901,[M-H]-,15.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504948,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,252.05901,[M-H]-,20.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504949,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,254.07356,[M+H]+,20.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504950,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,254.07356,[M+H]+,20.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504951,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,254.07356,[M+H]+,30.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504952,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,254.07356,[M+H]+,60.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504953,O=C(O)c1nn2c(C(F)F)cc(C3CC3)nc2c1,254.07356,[M+H]+,20.0,test,O=C(O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
504954,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,236.063,[M+H-H2O]+,45.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504955,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,236.063,[M+H-H2O]+,45.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504956,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,236.063,[M+H-H2O]+,20.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504957,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,236.063,[M+H-H2O]+,60.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504958,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,236.063,[M+H-H2O]+,45.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504959,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,254.07356,[M+H]+,20.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504960,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,254.07356,[M+H]+,20.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504961,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,254.07356,[M+H]+,60.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504962,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,254.07356,[M+H]+,20.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504963,O=C(O)c1c2nc(C3CC3)cc(C(F)F)n2nc1,254.07356,[M+H]+,60.0,test,O=C(O)c1cnn2c(C(F)F)cc(C3CC3)nc12
504964,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,219.05753,[M-H]-,20.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
504965,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,219.05753,[M-H]-,20.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
504966,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,219.05753,[M-H]-,60.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
504967,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,219.05753,[M-H]-,15.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
504968,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,219.05753,[M-H]-,20.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
504969,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,219.05753,[M-H]-,15.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
504970,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,219.05753,[M-H]-,15.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
504971,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,219.05753,[M-H]-,20.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
504972,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,219.05753,[M-H]-,60.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
504973,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,219.05753,[M-H]-,15.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
504974,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,219.05753,[M-H]-,20.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
504975,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,219.05753,[M-H]-,20.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
504976,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,219.05753,[M-H]-,60.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
504977,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,219.05753,[M-H]-,15.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
504978,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,219.05753,[M-H]-,20.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
504979,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,219.05753,[M-H]-,60.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
504980,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,219.05753,[M-H]-,15.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
504981,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,219.05753,[M-H]-,20.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
504982,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,203.06152,[M+H-H2O]+,20.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504983,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,203.06152,[M+H-H2O]+,20.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504984,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,203.06152,[M+H-H2O]+,60.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504985,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,203.06152,[M+H-H2O]+,45.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504986,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,221.07208,[M+H]+,20.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504987,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,221.07208,[M+H]+,20.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504988,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,221.07208,[M+H]+,60.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504989,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,221.07208,[M+H]+,20.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504990,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,221.07208,[M+H]+,60.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504991,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,221.07208,[M+H]+,20.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504992,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,243.05402,[M+Na]+,20.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504993,Cc1c(-n2ccc(C(=O)O)n2)ccc(F)c1,243.05402,[M+Na]+,15.0,test,Cc1cc(F)ccc1-n1ccc(C(=O)O)n1
504994,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,203.06152,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
504995,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,203.06152,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
504996,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,203.06152,[M+H-H2O]+,60.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
504997,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,203.06152,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
504998,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,203.06152,[M+H-H2O]+,45.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
504999,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,221.07208,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
505000,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,221.07208,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
505001,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,221.07208,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
505002,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,221.07208,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
505003,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,221.07208,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
505004,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,221.07208,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
505005,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,243.05402,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
505006,Cc1cc(C(=O)O)nn1-c1cc(F)ccc1,243.05402,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1-c1cccc(F)c1
505007,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,203.06152,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505008,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,203.06152,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505009,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,203.06152,[M+H-H2O]+,60.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505010,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,203.06152,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505011,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,203.06152,[M+H-H2O]+,45.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505012,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,221.07208,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505013,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,221.07208,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505014,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,221.07208,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505015,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,221.07208,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505016,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,221.07208,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505017,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,221.07208,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505018,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,243.05402,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505019,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,243.05402,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505020,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,243.05402,[M+Na]+,60.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505021,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,243.05402,[M+Na]+,15.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505022,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1,243.05402,[M+Na]+,20.0,test,Cc1cc(C(=O)O)nn1-c1ccc(F)cc1
505023,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,203.06152,[M+H-H2O]+,20.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505024,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,203.06152,[M+H-H2O]+,20.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505025,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,203.06152,[M+H-H2O]+,20.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505026,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,203.06152,[M+H-H2O]+,45.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505027,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,221.07208,[M+H]+,20.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505028,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,221.07208,[M+H]+,20.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505029,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,221.07208,[M+H]+,60.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505030,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,221.07208,[M+H]+,20.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505031,Cc1nc2cc(F)cc(C(=O)O)c2nc1C,221.07208,[M+H]+,45.0,test,Cc1nc2cc(F)cc(C(=O)O)c2nc1C
505032,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
505033,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
505034,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,221.07208,[M+H]+,60.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
505035,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
505036,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,221.07208,[M+H]+,45.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
505037,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,221.07208,[M+H]+,60.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
505038,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
505039,Cc1nn(-c2cc(F)ccc2)cc1C(=O)O,221.07208,[M+H]+,45.0,test,Cc1nn(-c2cccc(F)c2)cc1C(=O)O
505040,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,221.07208,[M+H]+,20.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
505041,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,221.07208,[M+H]+,20.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
505042,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,221.07208,[M+H]+,60.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
505043,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,221.07208,[M+H]+,20.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
505044,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,221.07208,[M+H]+,45.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
505045,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,221.07208,[M+H]+,60.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
505046,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,221.07208,[M+H]+,20.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
505047,Cn1cc(-c2cc(C(=O)O)c(F)cc2)cn1,221.07208,[M+H]+,45.0,test,Cn1cc(-c2ccc(F)c(C(=O)O)c2)cn1
505048,Cc1c(C(=O)O)cnn1-c1ccccc1F,221.07208,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1F
505049,Cc1c(C(=O)O)cnn1-c1ccccc1F,221.07208,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1F
505050,Cc1c(C(=O)O)cnn1-c1ccccc1F,221.07208,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1F
505051,Cc1c(C(=O)O)cnn1-c1ccccc1F,221.07208,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1F
505052,Cc1c(C(=O)O)cnn1-c1ccccc1F,221.07208,[M+H]+,45.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1F
505053,Cc1c(C(=O)O)cnn1-c1ccccc1F,221.07208,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1F
505054,Cc1c(C(=O)O)cnn1-c1ccccc1F,221.07208,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1F
505055,Cc1c(C(=O)O)cnn1-c1ccccc1F,221.07208,[M+H]+,45.0,test,Cc1c(C(=O)O)cnn1-c1ccccc1F
505056,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,203.06152,[M+H-H2O]+,20.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505057,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,203.06152,[M+H-H2O]+,20.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505058,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,203.06152,[M+H-H2O]+,60.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505059,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,203.06152,[M+H-H2O]+,20.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505060,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,203.06152,[M+H-H2O]+,45.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505061,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505062,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505063,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,221.07208,[M+H]+,60.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505064,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505065,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,221.07208,[M+H]+,45.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505066,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,221.07208,[M+H]+,60.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505067,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505068,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O,221.07208,[M+H]+,45.0,test,Cc1cn(-c2ccc(F)cc2)nc1C(=O)O
505069,O=C(O)Cc1nn(-c2ccc(F)cc2)cc1,221.07208,[M+H]+,20.0,test,O=C(O)Cc1ccn(-c2ccc(F)cc2)n1
505070,O=C(O)Cc1nn(-c2ccc(F)cc2)cc1,221.07208,[M+H]+,20.0,test,O=C(O)Cc1ccn(-c2ccc(F)cc2)n1
505071,O=C(O)Cc1nn(-c2ccc(F)cc2)cc1,221.07208,[M+H]+,60.0,test,O=C(O)Cc1ccn(-c2ccc(F)cc2)n1
505072,O=C(O)Cc1nn(-c2ccc(F)cc2)cc1,221.07208,[M+H]+,30.0,test,O=C(O)Cc1ccn(-c2ccc(F)cc2)n1
505073,O=C(O)Cc1nn(-c2ccc(F)cc2)cc1,221.07208,[M+H]+,20.0,test,O=C(O)Cc1ccn(-c2ccc(F)cc2)n1
505074,O=C(O)Cc1nn(-c2ccc(F)cc2)cc1,221.07208,[M+H]+,60.0,test,O=C(O)Cc1ccn(-c2ccc(F)cc2)n1
505075,O=C(O)Cc1nn(-c2ccc(F)cc2)cc1,221.07208,[M+H]+,30.0,test,O=C(O)Cc1ccn(-c2ccc(F)cc2)n1
505076,O=C(O)Cc1nn(-c2ccc(F)cc2)cc1,221.07208,[M+H]+,20.0,test,O=C(O)Cc1ccn(-c2ccc(F)cc2)n1
505077,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,221.07208,[M+H]+,20.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
505078,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,221.07208,[M+H]+,20.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
505079,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,221.07208,[M+H]+,60.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
505080,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,221.07208,[M+H]+,20.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
505081,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,221.07208,[M+H]+,45.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
505082,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,221.07208,[M+H]+,60.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
505083,Cn1cncc1-c1c(C(=O)O)ccc(F)c1,221.07208,[M+H]+,20.0,test,Cn1cncc1-c1cc(F)ccc1C(=O)O
505084,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
505085,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
505086,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O,221.07208,[M+H]+,60.0,test,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
505087,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
505088,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O,221.07208,[M+H]+,45.0,test,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
505089,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O,221.07208,[M+H]+,60.0,test,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
505090,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O,221.07208,[M+H]+,20.0,test,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
505091,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O,221.07208,[M+H]+,45.0,test,Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
505092,O=C1NCCSc2c1sc1c2cc(O)cc1,252.01475,[M+H]+,20.0,test,O=C1NCCSc2c1sc1ccc(O)cc21
505093,O=C1NCCSc2c1sc1c2cc(O)cc1,252.01475,[M+H]+,20.0,test,O=C1NCCSc2c1sc1ccc(O)cc21
505094,O=C1NCCSc2c1sc1c2cc(O)cc1,252.01475,[M+H]+,60.0,test,O=C1NCCSc2c1sc1ccc(O)cc21
505095,O=C1NCCSc2c1sc1c2cc(O)cc1,252.01475,[M+H]+,30.0,test,O=C1NCCSc2c1sc1ccc(O)cc21
505096,O=C1NCCSc2c1sc1c2cc(O)cc1,252.01475,[M+H]+,20.0,test,O=C1NCCSc2c1sc1ccc(O)cc21
505097,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,341.96327,[M-H]-,20.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505098,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,341.96327,[M-H]-,20.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505099,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,341.96327,[M-H]-,45.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505100,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,341.96327,[M-H]-,60.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505101,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,341.96327,[M-H]-,20.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505102,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,343.97782,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505103,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,343.97782,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505104,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,343.97782,[M+H]+,60.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505105,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,343.97782,[M+H]+,30.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505106,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,343.97782,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505107,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,343.97782,[M+H]+,60.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505108,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,343.97782,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505109,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O,343.97782,[M+H]+,30.0,test,CCOC(=O)c1c[nH]c2c(I)cccc2c1=O
505110,O=C(O)c1cc(Nc2ccncc2)ccc1,213.06695,[M-H]-,20.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505111,O=C(O)c1cc(Nc2ccncc2)ccc1,213.06695,[M-H]-,20.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505112,O=C(O)c1cc(Nc2ccncc2)ccc1,213.06695,[M-H]-,60.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505113,O=C(O)c1cc(Nc2ccncc2)ccc1,213.06695,[M-H]-,30.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505114,O=C(O)c1cc(Nc2ccncc2)ccc1,213.06695,[M-H]-,20.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505115,Nc1c(C(=O)O)ccnc1-c1ccccc1,213.06695,[M-H]-,20.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505116,Nc1c(C(=O)O)ccnc1-c1ccccc1,213.06695,[M-H]-,20.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505117,Nc1c(C(=O)O)ccnc1-c1ccccc1,213.06695,[M-H]-,60.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505118,Nc1c(C(=O)O)ccnc1-c1ccccc1,213.06695,[M-H]-,30.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505119,Nc1c(C(=O)O)ccnc1-c1ccccc1,213.06695,[M-H]-,20.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505120,Nc1c(C(=O)O)ccnc1-c1ccccc1,213.06695,[M-H]-,60.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505121,Nc1c(C(=O)O)ccnc1-c1ccccc1,213.06695,[M-H]-,30.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505122,Nc1c(C(=O)O)ccnc1-c1ccccc1,213.06695,[M-H]-,20.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505123,O=C(O)c1nc2ccccc2nc1C1CC1,215.0815,[M+H]+,20.0,test,O=C(O)c1nc2ccccc2nc1C1CC1
505124,O=C(O)c1nc2ccccc2nc1C1CC1,215.0815,[M+H]+,20.0,test,O=C(O)c1nc2ccccc2nc1C1CC1
505125,O=C(O)c1nc2ccccc2nc1C1CC1,215.0815,[M+H]+,60.0,test,O=C(O)c1nc2ccccc2nc1C1CC1
505126,O=C(O)c1nc2ccccc2nc1C1CC1,215.0815,[M+H]+,30.0,test,O=C(O)c1nc2ccccc2nc1C1CC1
505127,O=C(O)c1nc2ccccc2nc1C1CC1,215.0815,[M+H]+,20.0,test,O=C(O)c1nc2ccccc2nc1C1CC1
505128,O=C(O)c1cc(Nc2ccncc2)ccc1,215.0815,[M+H]+,20.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505129,O=C(O)c1cc(Nc2ccncc2)ccc1,215.0815,[M+H]+,20.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505130,O=C(O)c1cc(Nc2ccncc2)ccc1,215.0815,[M+H]+,60.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505131,O=C(O)c1cc(Nc2ccncc2)ccc1,215.0815,[M+H]+,20.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505132,O=C(O)c1cc(Nc2ccncc2)ccc1,215.0815,[M+H]+,60.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505133,O=C(O)c1cc(Nc2ccncc2)ccc1,215.0815,[M+H]+,20.0,test,O=C(O)c1cccc(Nc2ccncc2)c1
505134,O=C(O)c1ccc(Nc2cnccc2)cc1,215.0815,[M+H]+,20.0,test,O=C(O)c1ccc(Nc2cccnc2)cc1
505135,O=C(O)c1ccc(Nc2cnccc2)cc1,215.0815,[M+H]+,20.0,test,O=C(O)c1ccc(Nc2cccnc2)cc1
505136,O=C(O)c1ccc(Nc2cnccc2)cc1,215.0815,[M+H]+,60.0,test,O=C(O)c1ccc(Nc2cccnc2)cc1
505137,O=C(O)c1ccc(Nc2cnccc2)cc1,215.0815,[M+H]+,20.0,test,O=C(O)c1ccc(Nc2cccnc2)cc1
505138,O=C(O)c1ccc(Nc2cnccc2)cc1,215.0815,[M+H]+,60.0,test,O=C(O)c1ccc(Nc2cccnc2)cc1
505139,O=C(O)c1ccc(Nc2cnccc2)cc1,215.0815,[M+H]+,20.0,test,O=C(O)c1ccc(Nc2cccnc2)cc1
505140,O=C(O)c1ccc(Nc2cnccc2)cc1,232.10805,[M+NH4]+,30.0,test,O=C(O)c1ccc(Nc2cccnc2)cc1
505141,O=C(O)c1ccc(Nc2cnccc2)cc1,232.10805,[M+NH4]+,30.0,test,O=C(O)c1ccc(Nc2cccnc2)cc1
505142,Cc1nnc(-c2ccc(C(=O)O)cc2)cc1,215.0815,[M+H]+,20.0,test,Cc1ccc(-c2ccc(C(=O)O)cc2)nn1
505143,Cc1nnc(-c2ccc(C(=O)O)cc2)cc1,215.0815,[M+H]+,20.0,test,Cc1ccc(-c2ccc(C(=O)O)cc2)nn1
505144,Cc1nnc(-c2ccc(C(=O)O)cc2)cc1,215.0815,[M+H]+,60.0,test,Cc1ccc(-c2ccc(C(=O)O)cc2)nn1
505145,Cc1nnc(-c2ccc(C(=O)O)cc2)cc1,215.0815,[M+H]+,20.0,test,Cc1ccc(-c2ccc(C(=O)O)cc2)nn1
505146,Cc1nnc(-c2ccc(C(=O)O)cc2)cc1,215.0815,[M+H]+,45.0,test,Cc1ccc(-c2ccc(C(=O)O)cc2)nn1
505147,Cc1nnc(-c2ccc(C(=O)O)cc2)cc1,215.0815,[M+H]+,60.0,test,Cc1ccc(-c2ccc(C(=O)O)cc2)nn1
505148,Cc1nnc(-c2ccc(C(=O)O)cc2)cc1,215.0815,[M+H]+,20.0,test,Cc1ccc(-c2ccc(C(=O)O)cc2)nn1
505149,Nc1c(C(=O)O)ccnc1-c1ccccc1,215.0815,[M+H]+,20.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505150,Nc1c(C(=O)O)ccnc1-c1ccccc1,215.0815,[M+H]+,20.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505151,Nc1c(C(=O)O)ccnc1-c1ccccc1,215.0815,[M+H]+,60.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505152,Nc1c(C(=O)O)ccnc1-c1ccccc1,215.0815,[M+H]+,20.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505153,Nc1c(C(=O)O)ccnc1-c1ccccc1,215.0815,[M+H]+,45.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505154,Nc1c(C(=O)O)ccnc1-c1ccccc1,215.0815,[M+H]+,60.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505155,Nc1c(C(=O)O)ccnc1-c1ccccc1,215.0815,[M+H]+,20.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505156,Nc1c(C(=O)O)ccnc1-c1ccccc1,215.0815,[M+H]+,45.0,test,Nc1c(C(=O)O)ccnc1-c1ccccc1
505157,Nc1c(-c2ccccc2)cc(C(=O)O)cn1,215.0815,[M+H]+,20.0,test,Nc1ncc(C(=O)O)cc1-c1ccccc1
505158,Nc1c(-c2ccccc2)cc(C(=O)O)cn1,215.0815,[M+H]+,20.0,test,Nc1ncc(C(=O)O)cc1-c1ccccc1
505159,Nc1c(-c2ccccc2)cc(C(=O)O)cn1,215.0815,[M+H]+,60.0,test,Nc1ncc(C(=O)O)cc1-c1ccccc1
505160,Nc1c(-c2ccccc2)cc(C(=O)O)cn1,215.0815,[M+H]+,20.0,test,Nc1ncc(C(=O)O)cc1-c1ccccc1
505161,Nc1c(-c2ccccc2)cc(C(=O)O)cn1,215.0815,[M+H]+,45.0,test,Nc1ncc(C(=O)O)cc1-c1ccccc1
505162,Nc1c(-c2ccccc2)cc(C(=O)O)cn1,215.0815,[M+H]+,60.0,test,Nc1ncc(C(=O)O)cc1-c1ccccc1
505163,Nc1c(-c2ccccc2)cc(C(=O)O)cn1,215.0815,[M+H]+,20.0,test,Nc1ncc(C(=O)O)cc1-c1ccccc1
505164,Nc1c(-c2ccccc2)cc(C(=O)O)cn1,215.0815,[M+H]+,45.0,test,Nc1ncc(C(=O)O)cc1-c1ccccc1
505165,Cc1c(C(=O)O)ccc(NC(=O)c2cscn2)c1,263.04849,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cscn2)ccc1C(=O)O
505166,Cc1c(C(=O)O)ccc(NC(=O)c2cscn2)c1,263.04849,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cscn2)ccc1C(=O)O
505167,Cc1c(C(=O)O)ccc(NC(=O)c2cscn2)c1,263.04849,[M+H]+,60.0,test,Cc1cc(NC(=O)c2cscn2)ccc1C(=O)O
505168,Cc1c(C(=O)O)ccc(NC(=O)c2cscn2)c1,263.04849,[M+H]+,30.0,test,Cc1cc(NC(=O)c2cscn2)ccc1C(=O)O
505169,Cc1c(C(=O)O)ccc(NC(=O)c2cscn2)c1,263.04849,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cscn2)ccc1C(=O)O
505170,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,321.01216,[M-H]-,20.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505171,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,321.01216,[M-H]-,20.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505172,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,321.01216,[M-H]-,60.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505173,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,321.01216,[M-H]-,30.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505174,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,321.01216,[M-H]-,20.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505175,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,321.01216,[M-H]-,20.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505176,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,321.01216,[M-H]-,30.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505177,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,321.01216,[M-H]-,60.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505178,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,323.02671,[M+H]+,20.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505179,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,323.02671,[M+H]+,20.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505180,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,323.02671,[M+H]+,30.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505181,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,323.02671,[M+H]+,60.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505182,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,323.02671,[M+H]+,15.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505183,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,323.02671,[M+H]+,20.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505184,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,323.02671,[M+H]+,20.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505185,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1,323.02671,[M+H]+,60.0,test,Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1
505186,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,20.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505187,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,20.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505188,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,60.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505189,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,30.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505190,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,20.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505191,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,60.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505192,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,30.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505193,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,20.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505194,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,20.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505195,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,20.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505196,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,60.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505197,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,30.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505198,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1,305.035,[M-H]-,20.0,test,O=C(O)c1ccc(-n2nnnc2SC2CCOC2=O)cc1
505199,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,320.99926,[M-H]-,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505200,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,320.99926,[M-H]-,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505201,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,320.99926,[M-H]-,60.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505202,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,320.99926,[M-H]-,30.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505203,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,320.99926,[M-H]-,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505204,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,320.99926,[M-H]-,60.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505205,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,320.99926,[M-H]-,30.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505206,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,320.99926,[M-H]-,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505207,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,323.01381,[M+H]+,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505208,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,323.01381,[M+H]+,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505209,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,323.01381,[M+H]+,60.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505210,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,323.01381,[M+H]+,30.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505211,COc1ccccc1/C=N/NC(=O)c1c(Br)cn[nH]1,323.01381,[M+H]+,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505212,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,320.99926,[M-H]-,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505213,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,320.99926,[M-H]-,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505214,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,320.99926,[M-H]-,60.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505215,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,320.99926,[M-H]-,30.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505216,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,320.99926,[M-H]-,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505217,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,320.99926,[M-H]-,30.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505218,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,320.99926,[M-H]-,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505219,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,320.99926,[M-H]-,60.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505220,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,320.99926,[M-H]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505221,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,320.99926,[M-H]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505222,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,320.99926,[M-H]-,60.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505223,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,320.99926,[M-H]-,30.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505224,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,320.99926,[M-H]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505225,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,320.99926,[M-H]-,60.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505226,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,320.99926,[M-H]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505227,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,320.99926,[M-H]-,30.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505228,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,323.01381,[M+H]+,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505229,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,323.01381,[M+H]+,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505230,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,323.01381,[M+H]+,60.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505231,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,323.01381,[M+H]+,30.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505232,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1,323.01381,[M+H]+,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1
505233,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,323.01381,[M+H]+,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505234,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,323.01381,[M+H]+,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505235,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,323.01381,[M+H]+,60.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505236,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,323.01381,[M+H]+,30.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505237,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br,323.01381,[M+H]+,20.0,test,COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br
505238,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1,350.04485,[M+H]+,20.0,test,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1
505239,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1,350.04485,[M+H]+,20.0,test,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1
505240,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1,350.04485,[M+H]+,60.0,test,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1
505241,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1,350.04485,[M+H]+,30.0,test,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1
505242,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1,350.04485,[M+H]+,20.0,test,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1
505243,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1,350.04485,[M+H]+,30.0,test,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1
505244,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1,350.04485,[M+H]+,60.0,test,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1
505245,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1,350.04485,[M+H]+,20.0,test,Cc1nnc(N2CC(Nc3ncc(C(F)(F)F)cc3Cl)C2)s1
505246,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,305.03817,[M-H]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505247,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,305.03817,[M-H]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505248,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,305.03817,[M-H]-,60.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505249,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,305.03817,[M-H]-,30.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505250,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,305.03817,[M-H]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505251,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,305.03817,[M-H]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505252,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,305.03817,[M-H]-,30.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505253,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,305.03817,[M-H]-,60.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505254,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,341.01484,[M+Cl]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505255,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,341.01484,[M+Cl]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505256,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,341.01484,[M+Cl]-,60.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505257,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,341.01484,[M+Cl]-,15.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505258,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,341.01484,[M+Cl]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505259,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,341.01484,[M+Cl]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505260,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,341.01484,[M+Cl]-,15.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505261,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,341.01484,[M+Cl]-,60.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505262,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,351.04365,[M+FA]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505263,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,351.04365,[M+FA]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505264,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,351.04365,[M+FA]-,60.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505265,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,351.04365,[M+FA]-,15.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505266,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,351.04365,[M+FA]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505267,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,351.04365,[M+FA]-,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505268,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,351.04365,[M+FA]-,60.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505269,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,351.04365,[M+FA]-,15.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505270,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,307.05272,[M+H]+,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505271,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,307.05272,[M+H]+,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505272,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,307.05272,[M+H]+,60.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505273,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,307.05272,[M+H]+,30.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505274,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,307.05272,[M+H]+,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505275,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,307.05272,[M+H]+,30.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505276,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,307.05272,[M+H]+,60.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505277,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1,307.05272,[M+H]+,20.0,test,Clc1ccc(SCCNc2ccc3nnnn3n2)cc1
505278,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,287.0649,[M-H]-,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505279,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,287.0649,[M-H]-,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505280,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,287.0649,[M-H]-,60.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505281,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,287.0649,[M-H]-,30.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505282,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,287.0649,[M-H]-,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505283,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,287.0649,[M-H]-,60.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505284,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,287.0649,[M-H]-,30.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505285,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,287.0649,[M-H]-,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505286,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505287,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505288,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,60.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505289,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,30.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505290,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505291,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505292,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505293,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,60.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505294,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,30.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505295,O=C(O)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2)C1,289.07945,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
505296,COC(=O)Nc1nc(SCc2cc(C(F)(F)F)ccc2)n[nH]1,333.06276,[M+H]+,20.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505297,COC(=O)Nc1nc(SCc2cc(C(F)(F)F)ccc2)n[nH]1,333.06276,[M+H]+,20.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505298,COC(=O)Nc1nc(SCc2cc(C(F)(F)F)ccc2)n[nH]1,333.06276,[M+H]+,60.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505299,COC(=O)Nc1nc(SCc2cc(C(F)(F)F)ccc2)n[nH]1,333.06276,[M+H]+,30.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505300,COC(=O)Nc1nc(SCc2cc(C(F)(F)F)ccc2)n[nH]1,333.06276,[M+H]+,20.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505301,COC(=O)Nc1nc(SCc2cc(C(F)(F)F)ccc2)n[nH]1,333.06276,[M+H]+,60.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505302,COC(=O)Nc1nc(SCc2cc(C(F)(F)F)ccc2)n[nH]1,333.06276,[M+H]+,30.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505303,COC(=O)Nc1nc(SCc2cc(C(F)(F)F)ccc2)n[nH]1,333.06276,[M+H]+,20.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505304,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1,333.06276,[M+H]+,20.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505305,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1,333.06276,[M+H]+,20.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505306,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1,333.06276,[M+H]+,60.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505307,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1,333.06276,[M+H]+,30.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505308,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1,333.06276,[M+H]+,20.0,test,COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1
505309,COC(=O)c1sccc1NC(=O)CSc1ncccn1,310.03146,[M+H]+,20.0,test,COC(=O)c1sccc1NC(=O)CSc1ncccn1
505310,COC(=O)c1sccc1NC(=O)CSc1ncccn1,310.03146,[M+H]+,20.0,test,COC(=O)c1sccc1NC(=O)CSc1ncccn1
505311,COC(=O)c1sccc1NC(=O)CSc1ncccn1,310.03146,[M+H]+,60.0,test,COC(=O)c1sccc1NC(=O)CSc1ncccn1
505312,COC(=O)c1sccc1NC(=O)CSc1ncccn1,310.03146,[M+H]+,15.0,test,COC(=O)c1sccc1NC(=O)CSc1ncccn1
505313,COC(=O)c1sccc1NC(=O)CSc1ncccn1,310.03146,[M+H]+,20.0,test,COC(=O)c1sccc1NC(=O)CSc1ncccn1
505314,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,304.05098,[M-H]-,20.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505315,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,304.05098,[M-H]-,20.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505316,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,304.05098,[M-H]-,60.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505317,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,304.05098,[M-H]-,15.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505318,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,304.05098,[M-H]-,20.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505319,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,304.05098,[M-H]-,20.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505320,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,304.05098,[M-H]-,15.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505321,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,304.05098,[M-H]-,60.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505322,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,306.06554,[M+H]+,20.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505323,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,306.06554,[M+H]+,20.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505324,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,306.06554,[M+H]+,60.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505325,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,306.06554,[M+H]+,30.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505326,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,306.06554,[M+H]+,20.0,test,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
505327,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,312.02151,[M-H]-,20.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505328,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,312.02151,[M-H]-,20.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505329,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,312.02151,[M-H]-,60.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505330,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,312.02151,[M-H]-,30.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505331,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,312.02151,[M-H]-,20.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505332,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1,314.03607,[M+H]+,15.0,test,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1
505333,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1,314.03607,[M+H]+,15.0,test,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1
505334,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1,314.03607,[M+H]+,20.0,test,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1
505335,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1,314.03607,[M+H]+,60.0,test,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1
505336,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1,314.03607,[M+H]+,15.0,test,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1
505337,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1,314.03607,[M+H]+,60.0,test,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1
505338,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1,314.03607,[M+H]+,20.0,test,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1
505339,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1,314.03607,[M+H]+,15.0,test,CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1
505340,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,314.03607,[M+H]+,20.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505341,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,314.03607,[M+H]+,20.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505342,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,314.03607,[M+H]+,60.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505343,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,314.03607,[M+H]+,30.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505344,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl,314.03607,[M+H]+,20.0,test,COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl
505345,Cc1c(S(=O)(=O)Nc2cn(CC(=O)O)nc2)ccc(Cl)c1,328.01643,[M-H]-,20.0,test,Cc1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(=O)O)c1
505346,Cc1c(S(=O)(=O)Nc2cn(CC(=O)O)nc2)ccc(Cl)c1,328.01643,[M-H]-,20.0,test,Cc1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(=O)O)c1
505347,Cc1c(S(=O)(=O)Nc2cn(CC(=O)O)nc2)ccc(Cl)c1,328.01643,[M-H]-,60.0,test,Cc1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(=O)O)c1
505348,Cc1c(S(=O)(=O)Nc2cn(CC(=O)O)nc2)ccc(Cl)c1,328.01643,[M-H]-,30.0,test,Cc1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(=O)O)c1
505349,Cc1c(S(=O)(=O)Nc2cn(CC(=O)O)nc2)ccc(Cl)c1,328.01643,[M-H]-,20.0,test,Cc1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(=O)O)c1
505350,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505351,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505352,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,60.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505353,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,15.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505354,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505355,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,60.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505356,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,15.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505357,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505358,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,350.06371,[M+Cl]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505359,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,360.09251,[M+FA]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505360,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,360.09251,[M+FA]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505361,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,360.09251,[M+FA]-,60.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505362,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,360.09251,[M+FA]-,15.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505363,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,360.09251,[M+FA]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505364,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505365,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505366,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,60.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505367,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,15.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505368,CC(C(=O)Nc1cn(C)nc1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505369,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,314.08703,[M-H]-,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505370,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,314.08703,[M-H]-,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505371,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,314.08703,[M-H]-,60.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505372,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,314.08703,[M-H]-,15.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505373,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,314.08703,[M-H]-,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505374,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,314.08703,[M-H]-,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505375,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,314.08703,[M-H]-,15.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505376,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,314.08703,[M-H]-,60.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505377,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,350.06371,[M+Cl]-,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505378,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,350.06371,[M+Cl]-,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505379,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,350.06371,[M+Cl]-,60.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505380,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,350.06371,[M+Cl]-,15.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505381,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,350.06371,[M+Cl]-,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505382,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,15.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505383,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,15.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505384,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505385,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,60.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505386,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,314.08703,[M-H]-,15.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505387,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505388,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505389,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,60.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505390,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,15.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505391,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O,316.10159,[M+H]+,20.0,test,CC(C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O
505392,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,316.10159,[M+H]+,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505393,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,316.10159,[M+H]+,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505394,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,316.10159,[M+H]+,60.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505395,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,316.10159,[M+H]+,15.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505396,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,316.10159,[M+H]+,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505397,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,316.10159,[M+H]+,60.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505398,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,316.10159,[M+H]+,15.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505399,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1,316.10159,[M+H]+,20.0,test,Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)n[nH]1
505400,NCCNC(=O)c1c(-c2cc(F)ccc2)scn1,248.06523,[M+H-H2O]+,20.0,test,NCCNC(=O)c1ncsc1-c1cccc(F)c1
505401,NCCNC(=O)c1c(-c2cc(F)ccc2)scn1,248.06523,[M+H-H2O]+,60.0,test,NCCNC(=O)c1ncsc1-c1cccc(F)c1
505402,NCCNC(=O)c1c(-c2cc(F)ccc2)scn1,248.06523,[M+H-H2O]+,45.0,test,NCCNC(=O)c1ncsc1-c1cccc(F)c1
505403,NCCNC(=O)c1c(-c2cc(F)ccc2)scn1,266.07579,[M+H]+,20.0,test,NCCNC(=O)c1ncsc1-c1cccc(F)c1
505404,NCCNC(=O)c1c(-c2cc(F)ccc2)scn1,266.07579,[M+H]+,20.0,test,NCCNC(=O)c1ncsc1-c1cccc(F)c1
505405,NCCNC(=O)c1c(-c2cc(F)ccc2)scn1,266.07579,[M+H]+,60.0,test,NCCNC(=O)c1ncsc1-c1cccc(F)c1
505406,NCCNC(=O)c1c(-c2cc(F)ccc2)scn1,266.07579,[M+H]+,15.0,test,NCCNC(=O)c1ncsc1-c1cccc(F)c1
505407,NCCNC(=O)c1c(-c2cc(F)ccc2)scn1,266.07579,[M+H]+,20.0,test,NCCNC(=O)c1ncsc1-c1cccc(F)c1
505408,COc1cccc(NC(=O)c2nn(C)cc2I)c1,358.0047,[M+H]+,20.0,test,COc1cccc(NC(=O)c2nn(C)cc2I)c1
505409,COc1cccc(NC(=O)c2nn(C)cc2I)c1,358.0047,[M+H]+,20.0,test,COc1cccc(NC(=O)c2nn(C)cc2I)c1
505410,COc1cccc(NC(=O)c2nn(C)cc2I)c1,358.0047,[M+H]+,60.0,test,COc1cccc(NC(=O)c2nn(C)cc2I)c1
505411,COc1cccc(NC(=O)c2nn(C)cc2I)c1,358.0047,[M+H]+,30.0,test,COc1cccc(NC(=O)c2nn(C)cc2I)c1
505412,COc1cccc(NC(=O)c2nn(C)cc2I)c1,358.0047,[M+H]+,20.0,test,COc1cccc(NC(=O)c2nn(C)cc2I)c1
505413,COc1cccc(NC(=O)c2nn(C)cc2I)c1,358.0047,[M+H]+,30.0,test,COc1cccc(NC(=O)c2nn(C)cc2I)c1
505414,COc1cccc(NC(=O)c2nn(C)cc2I)c1,358.0047,[M+H]+,20.0,test,COc1cccc(NC(=O)c2nn(C)cc2I)c1
505415,COc1cccc(NC(=O)c2nn(C)cc2I)c1,358.0047,[M+H]+,60.0,test,COc1cccc(NC(=O)c2nn(C)cc2I)c1
505416,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,30.0,test,Oc1ccccc1NCc1ccccn1
505417,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,30.0,test,Oc1ccccc1NCc1ccccn1
505418,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,20.0,test,Oc1ccccc1NCc1ccccn1
505419,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,60.0,test,Oc1ccccc1NCc1ccccn1
505420,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,30.0,test,Oc1ccccc1NCc1ccccn1
505421,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,20.0,test,Oc1ccccc1NCc1ccccn1
505422,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,20.0,test,Oc1ccccc1NCc1ccccn1
505423,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,60.0,test,Oc1ccccc1NCc1ccccn1
505424,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,30.0,test,Oc1ccccc1NCc1ccccn1
505425,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,20.0,test,Oc1ccccc1NCc1ccccn1
505426,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,20.0,test,Oc1ccccc1NCc1ccccn1
505427,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,20.0,test,Oc1ccccc1NCc1ccccn1
505428,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,60.0,test,Oc1ccccc1NCc1ccccn1
505429,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,30.0,test,Oc1ccccc1NCc1ccccn1
505430,Oc1ccccc1NCc1ccccn1,201.10224,[M+H]+,20.0,test,Oc1ccccc1NCc1ccccn1
505431,CC1=NCCc2c1[nH]c1cc(O)ccc21,199.08769,[M-H]-,20.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505432,CC1=NCCc2c1[nH]c1cc(O)ccc21,199.08769,[M-H]-,20.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505433,CC1=NCCc2c1[nH]c1cc(O)ccc21,199.08769,[M-H]-,45.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505434,CC1=NCCc2c1[nH]c1cc(O)ccc21,199.08769,[M-H]-,60.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505435,CC1=NCCc2c1[nH]c1cc(O)ccc21,199.08769,[M-H]-,20.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505436,CC1=NCCc2c1[nH]c1cc(O)ccc21,201.10224,[M+H]+,20.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505437,CC1=NCCc2c1[nH]c1cc(O)ccc21,201.10224,[M+H]+,20.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505438,CC1=NCCc2c1[nH]c1cc(O)ccc21,201.10224,[M+H]+,60.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505439,CC1=NCCc2c1[nH]c1cc(O)ccc21,201.10224,[M+H]+,20.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505440,CC1=NCCc2c1[nH]c1cc(O)ccc21,201.10224,[M+H]+,60.0,test,CC1=NCCc2c1[nH]c1cc(O)ccc21
505441,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,307.05065,[M-H]-,20.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505442,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,307.05065,[M-H]-,20.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505443,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,307.05065,[M-H]-,60.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505444,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,307.05065,[M-H]-,30.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505445,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,307.05065,[M-H]-,20.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505446,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,307.05065,[M-H]-,60.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505447,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,307.05065,[M-H]-,30.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505448,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,307.05065,[M-H]-,20.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505449,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,309.0652,[M+H]+,20.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505450,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,309.0652,[M+H]+,20.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505451,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,309.0652,[M+H]+,60.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505452,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,309.0652,[M+H]+,15.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505453,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,309.0652,[M+H]+,20.0,test,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
505454,Cc1nc(Nc2nc(-c3c[nH]nc3)c(C)s2)ncc1,273.09169,[M+H]+,20.0,test,Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1
505455,Cc1nc(Nc2nc(-c3c[nH]nc3)c(C)s2)ncc1,273.09169,[M+H]+,20.0,test,Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1
505456,Cc1nc(Nc2nc(-c3c[nH]nc3)c(C)s2)ncc1,273.09169,[M+H]+,60.0,test,Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1
505457,Cc1nc(Nc2nc(-c3c[nH]nc3)c(C)s2)ncc1,273.09169,[M+H]+,20.0,test,Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1
505458,Cc1nc(Nc2nc(-c3c[nH]nc3)c(C)s2)ncc1,273.09169,[M+H]+,60.0,test,Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1
505459,COc1c(OC)c(OC)c2oc(=O)ccc2c1,237.07575,[M+H]+,20.0,test,COc1cc2ccc(=O)oc2c(OC)c1OC
505460,COc1c(OC)c(OC)c2oc(=O)ccc2c1,237.07575,[M+H]+,20.0,test,COc1cc2ccc(=O)oc2c(OC)c1OC
505461,COc1c(OC)c(OC)c2oc(=O)ccc2c1,237.07575,[M+H]+,60.0,test,COc1cc2ccc(=O)oc2c(OC)c1OC
505462,COc1c(OC)c(OC)c2oc(=O)ccc2c1,237.07575,[M+H]+,20.0,test,COc1cc2ccc(=O)oc2c(OC)c1OC
505463,COc1c(OC)c(OC)c2oc(=O)ccc2c1,237.07575,[M+H]+,45.0,test,COc1cc2ccc(=O)oc2c(OC)c1OC
505464,COc1c(OC)c(OC)c2oc(=O)ccc2c1,237.07575,[M+H]+,60.0,test,COc1cc2ccc(=O)oc2c(OC)c1OC
505465,COc1c(OC)c(OC)c2oc(=O)ccc2c1,237.07575,[M+H]+,20.0,test,COc1cc2ccc(=O)oc2c(OC)c1OC
505466,COc1c(OC)c(OC)c2oc(=O)ccc2c1,237.07575,[M+H]+,45.0,test,COc1cc2ccc(=O)oc2c(OC)c1OC
505467,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,235.0612,[M-H]-,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505468,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,235.0612,[M-H]-,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505469,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,235.0612,[M-H]-,60.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505470,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,235.0612,[M-H]-,30.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505471,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,235.0612,[M-H]-,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505472,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,235.0612,[M-H]-,60.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505473,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,235.0612,[M-H]-,30.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505474,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,235.0612,[M-H]-,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505475,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1,237.07575,[M+H]+,20.0,test,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1
505476,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1,237.07575,[M+H]+,20.0,test,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1
505477,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1,237.07575,[M+H]+,60.0,test,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1
505478,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1,237.07575,[M+H]+,30.0,test,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1
505479,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1,237.07575,[M+H]+,20.0,test,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1
505480,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,237.07575,[M+H]+,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505481,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,237.07575,[M+H]+,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505482,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,237.07575,[M+H]+,60.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505483,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,237.07575,[M+H]+,15.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505484,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,237.07575,[M+H]+,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505485,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,237.07575,[M+H]+,60.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505486,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,237.07575,[M+H]+,15.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505487,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,237.07575,[M+H]+,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505488,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,254.1023,[M+NH4]+,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505489,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,254.1023,[M+NH4]+,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505490,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,254.1023,[M+NH4]+,60.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505491,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,254.1023,[M+NH4]+,15.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505492,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1,254.1023,[M+NH4]+,20.0,test,C/C=C/c1cc(O)c(C(=O)C(=O)CC)c(=O)o1
505493,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1,258.06916,[M+H]+,20.0,test,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1
505494,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1,258.06916,[M+H]+,20.0,test,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1
505495,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1,258.06916,[M+H]+,60.0,test,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1
505496,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1,258.06916,[M+H]+,30.0,test,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1
505497,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1,258.06916,[M+H]+,20.0,test,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1
505498,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1,258.06916,[M+H]+,60.0,test,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1
505499,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1,258.06916,[M+H]+,30.0,test,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1
505500,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1,258.06916,[M+H]+,20.0,test,O=C(Cc1c(F)cccc1Cl)N1CC(CO)C1
505501,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,60.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505502,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,60.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505503,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,20.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505504,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,60.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505505,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,20.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505506,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,60.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505507,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,20.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505508,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,20.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505509,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,60.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505510,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,15.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505511,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,20.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505512,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,60.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505513,CCc1c(-c2ccc(Cl)cc2)c(N)nc(N)n1,249.09015,[M+H]+,20.0,test,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
505514,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,20.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505515,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,20.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505516,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,60.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505517,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,30.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505518,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,20.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505519,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,20.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505520,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,20.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505521,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,45.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505522,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,60.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505523,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,20.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505524,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,60.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505525,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,45.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505526,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1,303.08858,[M+H]+,20.0,test,CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1
505527,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1,303.08858,[M+H]+,20.0,test,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1
505528,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1,303.08858,[M+H]+,20.0,test,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1
505529,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1,303.08858,[M+H]+,60.0,test,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1
505530,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1,303.08858,[M+H]+,20.0,test,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1
505531,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1,303.08858,[M+H]+,60.0,test,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1
505532,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1,303.08858,[M+H]+,20.0,test,CSc1ncc(C#N)c(N2CCC(C(F)(F)F)CC2)n1
505533,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,313.10302,[M-H]-,20.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505534,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,313.10302,[M-H]-,20.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505535,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,313.10302,[M-H]-,60.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505536,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,313.10302,[M-H]-,30.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505537,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,313.10302,[M-H]-,20.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505538,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,313.10302,[M-H]-,60.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505539,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,313.10302,[M-H]-,30.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505540,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,313.10302,[M-H]-,20.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505541,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,315.11757,[M+H]+,20.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505542,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,315.11757,[M+H]+,20.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505543,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,315.11757,[M+H]+,60.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505544,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,315.11757,[M+H]+,30.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505545,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,315.11757,[M+H]+,20.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505546,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,315.11757,[M+H]+,60.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505547,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,315.11757,[M+H]+,30.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505548,FC(F)(F)c1nc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)ncc1,315.11757,[M+H]+,20.0,test,FC(F)(F)c1ccnc(NC[C@H]2CC[C@@H](c3ncn[nH]3)O2)n1
505549,Cc1cc(C)nc(Nc2ccccc2)n1,200.11822,[M+H]+,20.0,test,Cc1cc(C)nc(Nc2ccccc2)n1
505550,Cc1cc(C)nc(Nc2ccccc2)n1,200.11822,[M+H]+,20.0,test,Cc1cc(C)nc(Nc2ccccc2)n1
505551,Cc1cc(C)nc(Nc2ccccc2)n1,200.11822,[M+H]+,60.0,test,Cc1cc(C)nc(Nc2ccccc2)n1
505552,Cc1cc(C)nc(Nc2ccccc2)n1,200.11822,[M+H]+,20.0,test,Cc1cc(C)nc(Nc2ccccc2)n1
505553,Cc1cc(C)nc(Nc2ccccc2)n1,200.11822,[M+H]+,60.0,test,Cc1cc(C)nc(Nc2ccccc2)n1
505554,Cc1cc(C)nc(Nc2ccccc2)n1,200.11822,[M+H]+,20.0,test,Cc1cc(C)nc(Nc2ccccc2)n1
505555,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,262.08333,[M-H]-,15.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505556,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,262.08333,[M-H]-,15.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505557,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,262.08333,[M-H]-,20.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505558,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,262.08333,[M-H]-,60.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505559,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,262.08333,[M-H]-,15.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505560,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,262.08333,[M-H]-,20.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505561,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,262.08333,[M-H]-,20.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505562,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,262.08333,[M-H]-,60.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505563,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,262.08333,[M-H]-,15.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505564,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,262.08333,[M-H]-,20.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505565,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,298.06001,[M+Cl]-,20.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505566,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,298.06001,[M+Cl]-,20.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505567,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,298.06001,[M+Cl]-,60.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505568,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,298.06001,[M+Cl]-,15.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505569,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1,298.06001,[M+Cl]-,20.0,test,O=C1CCC(NC(=O)c2conc2C2CC2)C(=O)N1
505570,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,264.09788,[M+H]+,20.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505571,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,264.09788,[M+H]+,20.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505572,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,264.09788,[M+H]+,60.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505573,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,264.09788,[M+H]+,30.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505574,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C,264.09788,[M+H]+,20.0,test,Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C
505575,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,250.05434,[M-H]-,20.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505576,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,250.05434,[M-H]-,20.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505577,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,250.05434,[M-H]-,60.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505578,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,250.05434,[M-H]-,20.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505579,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,250.05434,[M-H]-,45.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505580,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,250.05434,[M-H]-,60.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505581,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,250.05434,[M-H]-,20.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505582,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,250.05434,[M-H]-,45.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505583,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,252.06889,[M+H]+,20.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505584,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,252.06889,[M+H]+,20.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505585,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,252.06889,[M+H]+,60.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505586,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,252.06889,[M+H]+,30.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505587,O=C(O)C1CC2CCC1N2C(=O)c1cscc1,252.06889,[M+H]+,20.0,test,O=C(O)C1CC2CCC1N2C(=O)c1ccsc1
505588,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,250.05434,[M-H]-,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505589,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,250.05434,[M-H]-,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505590,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,250.05434,[M-H]-,60.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505591,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,250.05434,[M-H]-,30.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505592,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,250.05434,[M-H]-,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505593,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,250.05434,[M-H]-,60.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505594,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,250.05434,[M-H]-,30.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505595,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,250.05434,[M-H]-,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505596,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,250.05434,[M-H]-,20.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505597,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,250.05434,[M-H]-,20.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505598,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,250.05434,[M-H]-,30.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505599,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,250.05434,[M-H]-,60.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505600,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,250.05434,[M-H]-,15.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505601,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,250.05434,[M-H]-,20.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505602,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,250.05434,[M-H]-,60.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505603,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,250.05434,[M-H]-,20.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505604,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,250.05434,[M-H]-,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505605,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,250.05434,[M-H]-,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505606,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,250.05434,[M-H]-,60.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505607,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,250.05434,[M-H]-,15.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505608,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,250.05434,[M-H]-,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505609,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,252.06889,[M+H]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505610,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,252.06889,[M+H]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505611,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,252.06889,[M+H]+,60.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505612,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,252.06889,[M+H]+,15.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505613,O=C(NC1(C(=O)O)CC1)c1cc2c(CCC2)s1,252.06889,[M+H]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2
505614,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,252.06889,[M+H]+,20.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505615,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,252.06889,[M+H]+,20.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505616,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,252.06889,[M+H]+,60.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505617,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,252.06889,[M+H]+,30.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505618,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,252.06889,[M+H]+,20.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505619,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,252.06889,[M+H]+,60.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505620,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,252.06889,[M+H]+,30.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505621,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1,252.06889,[M+H]+,20.0,test,O=C(O)C1CSC(Cc2ccccc2)C(=O)N1
505622,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,252.06889,[M+H]+,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505623,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,252.06889,[M+H]+,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505624,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,252.06889,[M+H]+,60.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505625,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,252.06889,[M+H]+,30.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505626,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,252.06889,[M+H]+,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505627,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,252.06889,[M+H]+,60.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505628,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,252.06889,[M+H]+,30.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505629,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,252.06889,[M+H]+,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505630,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,274.05083,[M+Na]+,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505631,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,274.05083,[M+Na]+,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505632,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,274.05083,[M+Na]+,60.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505633,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,274.05083,[M+Na]+,30.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505634,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O,274.05083,[M+Na]+,20.0,test,CC(C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
505635,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,250.0721,[M-H]-,20.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505636,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,250.0721,[M-H]-,20.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505637,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,250.0721,[M-H]-,60.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505638,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,250.0721,[M-H]-,30.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505639,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,250.0721,[M-H]-,20.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505640,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,252.08665,[M+H]+,20.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505641,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,252.08665,[M+H]+,20.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505642,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,252.08665,[M+H]+,60.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505643,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,252.08665,[M+H]+,15.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505644,CC(=O)N[C@@H](CC(=O)O)c1cc2c(cc1)OCO2,252.08665,[M+H]+,20.0,test,CC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2
505645,Cc1c(C(=O)O)c(S(=O)(=O)NCc2cscc2)c(C)o1,314.01624,[M-H]-,20.0,test,Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O
505646,Cc1c(C(=O)O)c(S(=O)(=O)NCc2cscc2)c(C)o1,314.01624,[M-H]-,20.0,test,Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O
505647,Cc1c(C(=O)O)c(S(=O)(=O)NCc2cscc2)c(C)o1,314.01624,[M-H]-,60.0,test,Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O
505648,Cc1c(C(=O)O)c(S(=O)(=O)NCc2cscc2)c(C)o1,314.01624,[M-H]-,30.0,test,Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O
505649,Cc1c(C(=O)O)c(S(=O)(=O)NCc2cscc2)c(C)o1,314.01624,[M-H]-,20.0,test,Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O
505650,Cc1c(C(=O)O)c(S(=O)(=O)NCc2cscc2)c(C)o1,314.01624,[M-H]-,60.0,test,Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O
505651,Cc1c(C(=O)O)c(S(=O)(=O)NCc2cscc2)c(C)o1,314.01624,[M-H]-,30.0,test,Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O
505652,Cc1c(C(=O)O)c(S(=O)(=O)NCc2cscc2)c(C)o1,314.01624,[M-H]-,20.0,test,Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O
505653,NCC1CCCN1C(=O)c1c(F)cc(Br)cc1,301.03463,[M+H]+,20.0,test,NCC1CCCN1C(=O)c1ccc(Br)cc1F
505654,NCC1CCCN1C(=O)c1c(F)cc(Br)cc1,301.03463,[M+H]+,20.0,test,NCC1CCCN1C(=O)c1ccc(Br)cc1F
505655,NCC1CCCN1C(=O)c1c(F)cc(Br)cc1,301.03463,[M+H]+,60.0,test,NCC1CCCN1C(=O)c1ccc(Br)cc1F
505656,NCC1CCCN1C(=O)c1c(F)cc(Br)cc1,301.03463,[M+H]+,30.0,test,NCC1CCCN1C(=O)c1ccc(Br)cc1F
505657,NCC1CCCN1C(=O)c1c(F)cc(Br)cc1,301.03463,[M+H]+,20.0,test,NCC1CCCN1C(=O)c1ccc(Br)cc1F
505658,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1,340.0226,[M+H]+,45.0,test,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1
505659,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1,340.0226,[M+H]+,45.0,test,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1
505660,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1,340.0226,[M+H]+,45.0,test,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1
505661,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1,340.0226,[M+H]+,20.0,test,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1
505662,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1,340.0226,[M+H]+,60.0,test,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1
505663,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1,340.0226,[M+H]+,60.0,test,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1
505664,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1,340.0226,[M+H]+,45.0,test,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1
505665,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1,340.0226,[M+H]+,20.0,test,Brc1cnn(CC2CN(c3nc(C4CC4)ns3)C2)c1
505666,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,288.09654,[M-H]-,20.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505667,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,288.09654,[M-H]-,20.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505668,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,288.09654,[M-H]-,60.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505669,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,288.09654,[M-H]-,30.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505670,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,288.09654,[M-H]-,20.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505671,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,290.11109,[M+H]+,20.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505672,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,290.11109,[M+H]+,20.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505673,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,290.11109,[M+H]+,60.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505674,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,290.11109,[M+H]+,20.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505675,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,290.11109,[M+H]+,60.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505676,Cc1nc(C(F)(F)F)cc(N2CCC[C@@H](C(=O)O)C2)n1,290.11109,[M+H]+,20.0,test,Cc1nc(N2CCC[C@@H](C(=O)O)C2)cc(C(F)(F)F)n1
505677,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,322.09078,[M+FA]-,20.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505678,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,322.09078,[M+FA]-,20.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505679,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,322.09078,[M+FA]-,60.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505680,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,322.09078,[M+FA]-,15.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505681,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,322.09078,[M+FA]-,20.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505682,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,278.09985,[M+H]+,20.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505683,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,278.09985,[M+H]+,20.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505684,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,278.09985,[M+H]+,60.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505685,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,278.09985,[M+H]+,30.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505686,CN(C[C@H](O)CO)C(=O)c1cc(F)c(C(F)F)cc1,278.09985,[M+H]+,20.0,test,CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
505687,O=C1CNC[C@@H]2c3ccccc3CCN12,203.11789,[M+H]+,30.0,test,O=C1CNC[C@@H]2c3ccccc3CCN12
505688,O=C1CNC[C@@H]2c3ccccc3CCN12,203.11789,[M+H]+,30.0,test,O=C1CNC[C@@H]2c3ccccc3CCN12
505689,O=C1CNC[C@@H]2c3ccccc3CCN12,203.11789,[M+H]+,20.0,test,O=C1CNC[C@@H]2c3ccccc3CCN12
505690,O=C1CNC[C@@H]2c3ccccc3CCN12,203.11789,[M+H]+,60.0,test,O=C1CNC[C@@H]2c3ccccc3CCN12
505691,O=C1CNC[C@@H]2c3ccccc3CCN12,203.11789,[M+H]+,30.0,test,O=C1CNC[C@@H]2c3ccccc3CCN12
505692,CC(=O)NCCc1c[nH]c2ccccc12,203.11789,[M+H]+,20.0,test,CC(=O)NCCc1c[nH]c2ccccc12
505693,CC(=O)NCCc1c[nH]c2ccccc12,203.11789,[M+H]+,20.0,test,CC(=O)NCCc1c[nH]c2ccccc12
505694,CC(=O)NCCc1c[nH]c2ccccc12,203.11789,[M+H]+,60.0,test,CC(=O)NCCc1c[nH]c2ccccc12
505695,CC(=O)NCCc1c[nH]c2ccccc12,203.11789,[M+H]+,15.0,test,CC(=O)NCCc1c[nH]c2ccccc12
505696,CC(=O)NCCc1c[nH]c2ccccc12,203.11789,[M+H]+,20.0,test,CC(=O)NCCc1c[nH]c2ccccc12
505697,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,309.0663,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505698,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,309.0663,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505699,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,309.0663,[M-H]-,60.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505700,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,309.0663,[M-H]-,30.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505701,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,309.0663,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505702,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,309.0663,[M-H]-,60.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505703,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,309.0663,[M-H]-,30.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505704,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,309.0663,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505705,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,311.08085,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505706,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,311.08085,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505707,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,311.08085,[M+H]+,60.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505708,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,311.08085,[M+H]+,30.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505709,Cc1c(C(=O)O)ccc(S(=O)(=O)NCc2nncn2C)c1,311.08085,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)NCc2nncn2C)ccc1C(=O)O
505710,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505711,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505712,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505713,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505714,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,45.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505715,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505716,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505717,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505718,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,30.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505719,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505720,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505721,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505722,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,60.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505723,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,30.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505724,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505725,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505726,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505727,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505728,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,30.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505729,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505730,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505731,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505732,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505733,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505734,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,45.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505735,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505736,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505737,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,45.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505738,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505739,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505740,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,309.0663,[M-H]-,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505741,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505742,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,309.0663,[M-H]-,45.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505743,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,309.0663,[M-H]-,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505744,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,309.0663,[M-H]-,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505745,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,309.0663,[M-H]-,60.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505746,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,309.0663,[M-H]-,30.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505747,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,309.0663,[M-H]-,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505748,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,309.0663,[M-H]-,60.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505749,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,309.0663,[M-H]-,30.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505750,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,309.0663,[M-H]-,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505751,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505752,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505753,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,60.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505754,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,30.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505755,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505756,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,60.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505757,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,30.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505758,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,311.08085,[M+H]+,20.0,test,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
505759,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505760,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505761,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505762,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,30.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505763,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505764,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505765,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505766,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,311.08085,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505767,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,311.08085,[M+H]+,30.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505768,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505769,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,311.08085,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505770,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,311.08085,[M+H]+,30.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505771,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505772,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505773,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505774,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505775,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505776,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,309.0663,[M-H]-,45.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505777,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505778,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505779,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505780,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,30.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505781,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505782,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505783,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,30.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505784,COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1,311.08085,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
505785,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1,327.02736,[M+H]+,20.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1
505786,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1,327.02736,[M+H]+,20.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1
505787,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1,327.02736,[M+H]+,45.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1
505788,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1,327.02736,[M+H]+,60.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1
505789,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1,327.02736,[M+H]+,20.0,test,Cc1nc(CN2CC(Cn3cc(Br)cn3)C2)cs1
505790,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1,328.08387,[M+H]+,20.0,test,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1
505791,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1,328.08387,[M+H]+,20.0,test,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1
505792,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1,328.08387,[M+H]+,60.0,test,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1
505793,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1,328.08387,[M+H]+,20.0,test,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1
505794,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1,328.08387,[M+H]+,45.0,test,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1
505795,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1,328.08387,[M+H]+,60.0,test,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1
505796,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1,328.08387,[M+H]+,20.0,test,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1
505797,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1,328.08387,[M+H]+,45.0,test,CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1
505798,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505799,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505800,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505801,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505802,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505803,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,60.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505804,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,15.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505805,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505806,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,60.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505807,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,15.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505808,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505809,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505810,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505811,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,30.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505812,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505813,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505814,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,324.07321,[M-H]-,30.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505815,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505816,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505817,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,60.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505818,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,15.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505819,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505820,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,15.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505821,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505822,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,370.07869,[M+FA]-,60.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505823,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,326.08776,[M+H]+,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505824,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,326.08776,[M+H]+,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505825,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,326.08776,[M+H]+,60.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505826,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,326.08776,[M+H]+,30.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505827,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,326.08776,[M+H]+,20.0,test,Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1
505828,Cn1nnnc1SCCCNCc1c(F)cccc1Cl,316.07935,[M+H]+,20.0,test,Cn1nnnc1SCCCNCc1c(F)cccc1Cl
505829,Cn1nnnc1SCCCNCc1c(F)cccc1Cl,316.07935,[M+H]+,20.0,test,Cn1nnnc1SCCCNCc1c(F)cccc1Cl
505830,Cn1nnnc1SCCCNCc1c(F)cccc1Cl,316.07935,[M+H]+,60.0,test,Cn1nnnc1SCCCNCc1c(F)cccc1Cl
505831,Cn1nnnc1SCCCNCc1c(F)cccc1Cl,316.07935,[M+H]+,30.0,test,Cn1nnnc1SCCCNCc1c(F)cccc1Cl
505832,Cn1nnnc1SCCCNCc1c(F)cccc1Cl,316.07935,[M+H]+,20.0,test,Cn1nnnc1SCCCNCc1c(F)cccc1Cl
505833,Cn1nnnc1SCCCNCc1c(F)cccc1Cl,316.07935,[M+H]+,60.0,test,Cn1nnnc1SCCCNCc1c(F)cccc1Cl
505834,Cn1nnnc1SCCCNCc1c(F)cccc1Cl,316.07935,[M+H]+,30.0,test,Cn1nnnc1SCCCNCc1c(F)cccc1Cl
505835,Cn1nnnc1SCCCNCc1c(F)cccc1Cl,316.07935,[M+H]+,20.0,test,Cn1nnnc1SCCCNCc1c(F)cccc1Cl
505836,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,329.04806,[M-H]-,20.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505837,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,329.04806,[M-H]-,20.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505838,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,329.04806,[M-H]-,60.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505839,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,329.04806,[M-H]-,15.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505840,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,329.04806,[M-H]-,20.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505841,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,331.06261,[M+H]+,20.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505842,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,331.06261,[M+H]+,20.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505843,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,331.06261,[M+H]+,60.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505844,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,331.06261,[M+H]+,30.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505845,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,331.06261,[M+H]+,20.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505846,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,331.06261,[M+H]+,60.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505847,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,331.06261,[M+H]+,30.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505848,CNS(=O)(=O)CCn1cc(-c2c(Cl)cc(OC)cc2)nn1,331.06261,[M+H]+,20.0,test,CNS(=O)(=O)CCn1cc(-c2ccc(OC)cc2Cl)nn1
505849,CCC(C)(CNS(=O)(=O)c1c(F)cc(F)cc1)C(=O)O,306.06171,[M-H]-,20.0,test,CCC(C)(CNS(=O)(=O)c1ccc(F)cc1F)C(=O)O
505850,CCC(C)(CNS(=O)(=O)c1c(F)cc(F)cc1)C(=O)O,306.06171,[M-H]-,20.0,test,CCC(C)(CNS(=O)(=O)c1ccc(F)cc1F)C(=O)O
505851,CCC(C)(CNS(=O)(=O)c1c(F)cc(F)cc1)C(=O)O,306.06171,[M-H]-,60.0,test,CCC(C)(CNS(=O)(=O)c1ccc(F)cc1F)C(=O)O
505852,CCC(C)(CNS(=O)(=O)c1c(F)cc(F)cc1)C(=O)O,306.06171,[M-H]-,30.0,test,CCC(C)(CNS(=O)(=O)c1ccc(F)cc1F)C(=O)O
505853,CCC(C)(CNS(=O)(=O)c1c(F)cc(F)cc1)C(=O)O,306.06171,[M-H]-,20.0,test,CCC(C)(CNS(=O)(=O)c1ccc(F)cc1F)C(=O)O
505854,CCC(C)(CNS(=O)(=O)c1c(F)cc(F)cc1)C(=O)O,306.06171,[M-H]-,60.0,test,CCC(C)(CNS(=O)(=O)c1ccc(F)cc1F)C(=O)O
505855,CCC(C)(CNS(=O)(=O)c1c(F)cc(F)cc1)C(=O)O,306.06171,[M-H]-,30.0,test,CCC(C)(CNS(=O)(=O)c1ccc(F)cc1F)C(=O)O
505856,CCC(C)(CNS(=O)(=O)c1c(F)cc(F)cc1)C(=O)O,306.06171,[M-H]-,20.0,test,CCC(C)(CNS(=O)(=O)c1ccc(F)cc1F)C(=O)O
505857,Cc1c(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)scc1,338.03378,[M-H]-,20.0,test,Cc1ccsc1S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1
505858,Cc1c(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)scc1,338.03378,[M-H]-,20.0,test,Cc1ccsc1S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1
505859,Cc1c(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)scc1,338.03378,[M-H]-,60.0,test,Cc1ccsc1S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1
505860,Cc1c(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)scc1,338.03378,[M-H]-,20.0,test,Cc1ccsc1S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1
505861,Cc1c(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)scc1,338.03378,[M-H]-,45.0,test,Cc1ccsc1S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1
505862,Cc1c(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)scc1,338.03378,[M-H]-,60.0,test,Cc1ccsc1S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1
505863,Cc1c(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)scc1,338.03378,[M-H]-,45.0,test,Cc1ccsc1S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1
505864,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F,277.11584,[M+H]+,20.0,test,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F
505865,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F,277.11584,[M+H]+,20.0,test,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F
505866,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F,277.11584,[M+H]+,60.0,test,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F
505867,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F,277.11584,[M+H]+,30.0,test,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F
505868,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F,277.11584,[M+H]+,20.0,test,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F
505869,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F,277.11584,[M+H]+,60.0,test,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F
505870,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F,277.11584,[M+H]+,30.0,test,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F
505871,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F,277.11584,[M+H]+,20.0,test,O=C(O)c1cn(CC2CCCCN2)cc1C(F)(F)F
505872,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1,321.1169,[M+H]+,20.0,test,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1
505873,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1,321.1169,[M+H]+,20.0,test,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1
505874,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1,321.1169,[M+H]+,60.0,test,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1
505875,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1,321.1169,[M+H]+,30.0,test,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1
505876,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1,321.1169,[M+H]+,20.0,test,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1
505877,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1,321.1169,[M+H]+,20.0,test,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1
505878,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1,321.1169,[M+H]+,30.0,test,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1
505879,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1,321.1169,[M+H]+,60.0,test,O=C(NC1CC1)C1CN(Cc2nnc(C(F)(F)F)o2)CCO1
505880,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1,354.08776,[M+FA]-,20.0,test,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1
505881,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1,354.08776,[M+FA]-,20.0,test,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1
505882,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1,354.08776,[M+FA]-,60.0,test,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1
505883,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1,354.08776,[M+FA]-,15.0,test,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1
505884,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1,354.08776,[M+FA]-,20.0,test,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1
505885,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,308.08228,[M-H]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505886,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,308.08228,[M-H]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505887,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,308.08228,[M-H]-,60.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505888,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,308.08228,[M-H]-,30.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505889,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,308.08228,[M-H]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505890,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,344.05896,[M+Cl]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505891,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,344.05896,[M+Cl]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505892,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,344.05896,[M+Cl]-,60.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505893,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,310.09684,[M+H]+,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505894,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,310.09684,[M+H]+,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505895,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,310.09684,[M+H]+,60.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505896,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,310.09684,[M+H]+,30.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505897,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1,310.09684,[M+H]+,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1
505898,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1,287.13141,[M+H]+,20.0,test,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1
505899,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1,287.13141,[M+H]+,20.0,test,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1
505900,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1,287.13141,[M+H]+,60.0,test,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1
505901,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1,287.13141,[M+H]+,30.0,test,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1
505902,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1,287.13141,[M+H]+,20.0,test,O=C(NC1CC1)N1CCC(c2noc(C(F)F)n2)CC1
505903,CN(c1cc(C(F)(F)F)ncc1)C1CCNCC1,260.13691,[M+H]+,20.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505904,CN(c1cc(C(F)(F)F)ncc1)C1CCNCC1,260.13691,[M+H]+,20.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505905,CN(c1cc(C(F)(F)F)ncc1)C1CCNCC1,260.13691,[M+H]+,60.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505906,CN(c1cc(C(F)(F)F)ncc1)C1CCNCC1,260.13691,[M+H]+,30.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505907,CN(c1cc(C(F)(F)F)ncc1)C1CCNCC1,260.13691,[M+H]+,20.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505908,CN(c1cc(C(F)(F)F)ncc1)C1CCNCC1,260.13691,[M+H]+,60.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505909,CN(c1cc(C(F)(F)F)ncc1)C1CCNCC1,260.13691,[M+H]+,30.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505910,CN(c1cc(C(F)(F)F)ncc1)C1CCNCC1,260.13691,[M+H]+,20.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505911,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1,260.13691,[M+H]+,20.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505912,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1,260.13691,[M+H]+,20.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505913,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1,260.13691,[M+H]+,30.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505914,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1,260.13691,[M+H]+,60.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505915,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1,260.13691,[M+H]+,15.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505916,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1,260.13691,[M+H]+,20.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505917,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1,260.13691,[M+H]+,20.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505918,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1,260.13691,[M+H]+,60.0,test,CN(c1ccnc(C(F)(F)F)c1)C1CCNCC1
505919,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1,294.09587,[M-H]-,20.0,test,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1
505920,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1,294.09587,[M-H]-,20.0,test,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1
505921,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1,294.09587,[M-H]-,30.0,test,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1
505922,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1,294.09587,[M-H]-,60.0,test,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1
505923,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1,294.09587,[M-H]-,20.0,test,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1
505924,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1,294.09587,[M-H]-,45.0,test,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1
505925,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1,294.09587,[M-H]-,20.0,test,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1
505926,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1,294.09587,[M-H]-,60.0,test,CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1
505927,CCCN(CC(=O)O)S(=O)(=O)c1cc(F)c(OC)cc1,304.06605,[M-H]-,20.0,test,CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1
505928,CCCN(CC(=O)O)S(=O)(=O)c1cc(F)c(OC)cc1,304.06605,[M-H]-,20.0,test,CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1
505929,CCCN(CC(=O)O)S(=O)(=O)c1cc(F)c(OC)cc1,304.06605,[M-H]-,60.0,test,CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1
505930,CCCN(CC(=O)O)S(=O)(=O)c1cc(F)c(OC)cc1,304.06605,[M-H]-,30.0,test,CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1
505931,CCCN(CC(=O)O)S(=O)(=O)c1cc(F)c(OC)cc1,304.06605,[M-H]-,20.0,test,CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1
505932,CCCN(CC(=O)O)S(=O)(=O)c1cc(F)c(OC)cc1,304.06605,[M-H]-,60.0,test,CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1
505933,CCCN(CC(=O)O)S(=O)(=O)c1cc(F)c(OC)cc1,304.06605,[M-H]-,30.0,test,CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1
505934,CCCN(CC(=O)O)S(=O)(=O)c1cc(F)c(OC)cc1,304.06605,[M-H]-,20.0,test,CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1
505935,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,299.05296,[M-H]-,20.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505936,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,299.05296,[M-H]-,20.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505937,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,299.05296,[M-H]-,60.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505938,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,299.05296,[M-H]-,20.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505939,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,299.05296,[M-H]-,45.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505940,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,299.05296,[M-H]-,60.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505941,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,299.05296,[M-H]-,20.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505942,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,299.05296,[M-H]-,45.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505943,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,301.06751,[M+H]+,15.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505944,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,301.06751,[M+H]+,15.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505945,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,301.06751,[M+H]+,20.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505946,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,301.06751,[M+H]+,60.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505947,O=C(CC1CC1)NS(=O)(=O)N1CCc2c(ccs2)C1,301.06751,[M+H]+,15.0,test,O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1
505948,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1,301.06751,[M+H]+,20.0,test,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1
505949,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1,301.06751,[M+H]+,20.0,test,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1
505950,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1,301.06751,[M+H]+,60.0,test,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1
505951,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1,301.06751,[M+H]+,15.0,test,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1
505952,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1,301.06751,[M+H]+,20.0,test,CN(C)C(CNS(=O)(=O)c1cccs1)c1ccco1
505953,CNC(=O)C1CCCN1S(=O)(=O)c1c(C(=O)O)scc1C,331.04279,[M-H]-,30.0,test,CNC(=O)C1CCCN1S(=O)(=O)c1c(C)csc1C(=O)O
505954,CNC(=O)C1CCCN1S(=O)(=O)c1c(C(=O)O)scc1C,331.04279,[M-H]-,20.0,test,CNC(=O)C1CCCN1S(=O)(=O)c1c(C)csc1C(=O)O
505955,CNC(=O)C1CCCN1S(=O)(=O)c1c(C(=O)O)scc1C,333.05734,[M+H]+,20.0,test,CNC(=O)C1CCCN1S(=O)(=O)c1c(C)csc1C(=O)O
505956,CNC(=O)C1CCCN1S(=O)(=O)c1c(C(=O)O)scc1C,333.05734,[M+H]+,20.0,test,CNC(=O)C1CCCN1S(=O)(=O)c1c(C)csc1C(=O)O
505957,CNC(=O)C1CCCN1S(=O)(=O)c1c(C(=O)O)scc1C,333.05734,[M+H]+,60.0,test,CNC(=O)C1CCCN1S(=O)(=O)c1c(C)csc1C(=O)O
505958,CNC(=O)C1CCCN1S(=O)(=O)c1c(C(=O)O)scc1C,333.05734,[M+H]+,15.0,test,CNC(=O)C1CCCN1S(=O)(=O)c1c(C)csc1C(=O)O
505959,CNC(=O)C1CCCN1S(=O)(=O)c1c(C(=O)O)scc1C,333.05734,[M+H]+,20.0,test,CNC(=O)C1CCCN1S(=O)(=O)c1c(C)csc1C(=O)O
505960,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,301.09289,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
505961,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,301.09289,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
505962,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,301.09289,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
505963,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,301.09289,[M+FA]-,15.0,test,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
505964,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,301.09289,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
505965,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,333.08272,[M+FA]-,15.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505966,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,333.08272,[M+FA]-,15.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505967,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,333.08272,[M+FA]-,20.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505968,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,333.08272,[M+FA]-,60.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505969,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,333.08272,[M+FA]-,15.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505970,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,289.09179,[M+H]+,20.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505971,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,289.09179,[M+H]+,20.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505972,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,289.09179,[M+H]+,60.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505973,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,289.09179,[M+H]+,15.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505974,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,289.09179,[M+H]+,20.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505975,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,289.09179,[M+H]+,60.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505976,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,289.09179,[M+H]+,15.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505977,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,289.09179,[M+H]+,20.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505978,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,311.07373,[M+Na]+,20.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505979,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,311.07373,[M+Na]+,20.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505980,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,311.07373,[M+Na]+,60.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505981,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,311.07373,[M+Na]+,30.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505982,Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1,311.07373,[M+Na]+,20.0,test,Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
505983,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,321.10024,[M-H]-,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505984,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,321.10024,[M-H]-,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505985,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,321.10024,[M-H]-,60.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505986,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,321.10024,[M-H]-,30.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505987,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,321.10024,[M-H]-,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505988,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,357.07692,[M+Cl]-,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505989,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,357.07692,[M+Cl]-,15.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505990,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,367.10572,[M+FA]-,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505991,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,367.10572,[M+FA]-,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505992,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,367.10572,[M+FA]-,60.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505993,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,367.10572,[M+FA]-,15.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505994,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,367.10572,[M+FA]-,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505995,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,367.10572,[M+FA]-,60.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505996,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,367.10572,[M+FA]-,15.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505997,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,367.10572,[M+FA]-,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505998,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,323.11479,[M+H]+,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
505999,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,323.11479,[M+H]+,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
506000,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,323.11479,[M+H]+,30.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
506001,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,323.11479,[M+H]+,60.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
506002,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,323.11479,[M+H]+,15.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
506003,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,323.11479,[M+H]+,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
506004,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,323.11479,[M+H]+,60.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
506005,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1,323.11479,[M+H]+,20.0,test,CCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
506006,COc1cnc(NC(=O)NCC2CC=CCC2)s1,266.09687,[M-H]-,20.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506007,COc1cnc(NC(=O)NCC2CC=CCC2)s1,266.09687,[M-H]-,20.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506008,COc1cnc(NC(=O)NCC2CC=CCC2)s1,266.09687,[M-H]-,60.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506009,COc1cnc(NC(=O)NCC2CC=CCC2)s1,266.09687,[M-H]-,15.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506010,COc1cnc(NC(=O)NCC2CC=CCC2)s1,266.09687,[M-H]-,20.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506011,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,266.09687,[M-H]-,20.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506012,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,266.09687,[M-H]-,20.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506013,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,266.09687,[M-H]-,60.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506014,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,266.09687,[M-H]-,30.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506015,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,266.09687,[M-H]-,20.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506016,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,268.11142,[M+H]+,20.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506017,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,268.11142,[M+H]+,20.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506018,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,268.11142,[M+H]+,60.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506019,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,268.11142,[M+H]+,30.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506020,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1,268.11142,[M+H]+,20.0,test,Cc1cnc(C(C)NC(=O)[C@H]2CCCC(=O)N2)s1
506021,COc1cnc(NC(=O)NCC2CC=CCC2)s1,268.11142,[M+H]+,20.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506022,COc1cnc(NC(=O)NCC2CC=CCC2)s1,268.11142,[M+H]+,20.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506023,COc1cnc(NC(=O)NCC2CC=CCC2)s1,268.11142,[M+H]+,60.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506024,COc1cnc(NC(=O)NCC2CC=CCC2)s1,268.11142,[M+H]+,30.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506025,COc1cnc(NC(=O)NCC2CC=CCC2)s1,268.11142,[M+H]+,20.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506026,COc1cnc(NC(=O)NCC2CC=CCC2)s1,268.11142,[M+H]+,60.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506027,COc1cnc(NC(=O)NCC2CC=CCC2)s1,268.11142,[M+H]+,30.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506028,COc1cnc(NC(=O)NCC2CC=CCC2)s1,268.11142,[M+H]+,20.0,test,COc1cnc(NC(=O)NCC2CC=CCC2)s1
506029,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,282.09179,[M-H]-,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506030,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,282.09179,[M-H]-,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506031,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,282.09179,[M-H]-,60.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506032,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,282.09179,[M-H]-,15.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506033,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,282.09179,[M-H]-,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506034,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,318.06846,[M+Cl]-,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506035,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,318.06846,[M+Cl]-,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506036,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,318.06846,[M+Cl]-,60.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506037,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,318.06846,[M+Cl]-,15.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506038,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,318.06846,[M+Cl]-,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506039,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C,282.09179,[M-H]-,20.0,test,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C
506040,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C,282.09179,[M-H]-,20.0,test,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C
506041,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C,282.09179,[M-H]-,60.0,test,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C
506042,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C,282.09179,[M-H]-,20.0,test,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C
506043,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C,282.09179,[M-H]-,45.0,test,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C
506044,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C,282.09179,[M-H]-,60.0,test,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C
506045,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C,282.09179,[M-H]-,20.0,test,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C
506046,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C,282.09179,[M-H]-,45.0,test,C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C
506047,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,282.09179,[M-H]-,20.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506048,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,282.09179,[M-H]-,20.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506049,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,282.09179,[M-H]-,60.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506050,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,282.09179,[M-H]-,30.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506051,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,282.09179,[M-H]-,20.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506052,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,282.09179,[M-H]-,60.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506053,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,282.09179,[M-H]-,30.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506054,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,282.09179,[M-H]-,20.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506055,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,282.09179,[M-H]-,20.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506056,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,282.09179,[M-H]-,20.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506057,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,282.09179,[M-H]-,60.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506058,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,282.09179,[M-H]-,30.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506059,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,282.09179,[M-H]-,20.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506060,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,282.09179,[M-H]-,60.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506061,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,282.09179,[M-H]-,30.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506062,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,282.09179,[M-H]-,20.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506063,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,284.10634,[M+H]+,20.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506064,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,284.10634,[M+H]+,20.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506065,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,284.10634,[M+H]+,30.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506066,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,284.10634,[M+H]+,60.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506067,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,284.10634,[M+H]+,15.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506068,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,284.10634,[M+H]+,20.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506069,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,284.10634,[M+H]+,60.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506070,CCOC(=O)c1c(C)nc(NC(=O)NCC2CC2)s1,284.10634,[M+H]+,20.0,test,CCOC(=O)c1sc(NC(=O)NCC2CC2)nc1C
506071,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,284.10634,[M+H]+,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506072,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,284.10634,[M+H]+,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506073,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,284.10634,[M+H]+,30.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506074,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,284.10634,[M+H]+,60.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506075,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,284.10634,[M+H]+,15.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506076,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,284.10634,[M+H]+,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506077,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,284.10634,[M+H]+,60.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506078,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1,284.10634,[M+H]+,20.0,test,CC(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
506079,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,284.10634,[M+H]+,20.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506080,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,284.10634,[M+H]+,20.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506081,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,284.10634,[M+H]+,60.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506082,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,284.10634,[M+H]+,30.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506083,O=C(O)c1n[nH]c(CCNC(=O)C2CCSCC2)c1,284.10634,[M+H]+,20.0,test,O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1
506084,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,282.09179,[M-H]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506085,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,282.09179,[M-H]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506086,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,282.09179,[M-H]-,60.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506087,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,282.09179,[M-H]-,30.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506088,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,282.09179,[M-H]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506089,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,318.06846,[M+Cl]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506090,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,318.06846,[M+Cl]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506091,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,318.06846,[M+Cl]-,60.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506092,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,318.06846,[M+Cl]-,15.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506093,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,318.06846,[M+Cl]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506094,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,328.09726,[M+FA]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506095,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,328.09726,[M+FA]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506096,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,328.09726,[M+FA]-,60.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506097,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,328.09726,[M+FA]-,15.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506098,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,328.09726,[M+FA]-,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506099,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,284.10634,[M+H]+,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506100,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,284.10634,[M+H]+,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506101,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,284.10634,[M+H]+,60.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506102,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,284.10634,[M+H]+,30.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506103,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,284.10634,[M+H]+,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506104,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,284.10634,[M+H]+,60.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506105,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,284.10634,[M+H]+,30.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506106,CC(C)c1c(S(C)(=O)=O)cc(C(=O)N=C(N)N)cc1,284.10634,[M+H]+,20.0,test,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
506107,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,314.06386,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506108,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,314.06386,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506109,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,314.06386,[M-H]-,60.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506110,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,314.06386,[M-H]-,30.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506111,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,314.06386,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506112,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,314.06386,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506113,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,314.06386,[M-H]-,30.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506114,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,314.06386,[M-H]-,60.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506115,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,350.04053,[M+Cl]-,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506116,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,350.04053,[M+Cl]-,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506117,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,350.04053,[M+Cl]-,60.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506118,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,350.04053,[M+Cl]-,15.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506119,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,350.04053,[M+Cl]-,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506120,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,316.07841,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506121,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,316.07841,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506122,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,316.07841,[M+H]+,60.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506123,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,316.07841,[M+H]+,30.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506124,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1,316.07841,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(NC(=S)NCC2CCCO2)cc1
506125,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,282.10955,[M-H]-,20.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506126,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,282.10955,[M-H]-,20.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506127,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,282.10955,[M-H]-,60.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506128,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,282.10955,[M-H]-,30.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506129,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,282.10955,[M-H]-,20.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506130,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,284.1241,[M+H]+,20.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506131,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,284.1241,[M+H]+,20.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506132,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,284.1241,[M+H]+,60.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506133,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,284.1241,[M+H]+,15.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506134,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O,284.1241,[M+H]+,20.0,test,CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(N)nc1=O
506135,CCC(C)(C)N=C(NC#N)Nc1cnccc1,230.14112,[M-H]-,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506136,CCC(C)(C)N=C(NC#N)Nc1cnccc1,230.14112,[M-H]-,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506137,CCC(C)(C)N=C(NC#N)Nc1cnccc1,230.14112,[M-H]-,60.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506138,CCC(C)(C)N=C(NC#N)Nc1cnccc1,230.14112,[M-H]-,30.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506139,CCC(C)(C)N=C(NC#N)Nc1cnccc1,230.14112,[M-H]-,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506140,CCC(C)(C)N=C(NC#N)Nc1cnccc1,266.1178,[M+Cl]-,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506141,CCC(C)(C)N=C(NC#N)Nc1cnccc1,266.1178,[M+Cl]-,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506142,CCC(C)(C)N=C(NC#N)Nc1cnccc1,266.1178,[M+Cl]-,15.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506143,CCC(C)(C)N=C(NC#N)Nc1cnccc1,266.1178,[M+Cl]-,60.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506144,CCC(C)(C)N=C(NC#N)Nc1cnccc1,266.1178,[M+Cl]-,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506145,CCC(C)(C)N=C(NC#N)Nc1cnccc1,232.15567,[M+H]+,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506146,CCC(C)(C)N=C(NC#N)Nc1cnccc1,232.15567,[M+H]+,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506147,CCC(C)(C)N=C(NC#N)Nc1cnccc1,232.15567,[M+H]+,60.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506148,CCC(C)(C)N=C(NC#N)Nc1cnccc1,232.15567,[M+H]+,30.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506149,CCC(C)(C)N=C(NC#N)Nc1cnccc1,232.15567,[M+H]+,20.0,test,CCC(C)(C)N=C(NC#N)Nc1cccnc1
506150,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21,276.15673,[M+H]+,20.0,test,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21
506151,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21,276.15673,[M+H]+,20.0,test,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21
506152,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21,276.15673,[M+H]+,60.0,test,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21
506153,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21,276.15673,[M+H]+,20.0,test,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21
506154,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21,276.15673,[M+H]+,45.0,test,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21
506155,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21,276.15673,[M+H]+,60.0,test,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21
506156,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21,276.15673,[M+H]+,20.0,test,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21
506157,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21,276.15673,[M+H]+,45.0,test,C[C@@H]1CNCCN1C(=O)Cn1cnc2c(N)ncnc21
506158,CCc1cc(S(=O)(=O)N=S2(=O)CCCC2)ccc1,288.07226,[M+H]+,20.0,test,CCc1cccc(S(=O)(=O)N=S2(=O)CCCC2)c1
506159,CCc1cc(S(=O)(=O)N=S2(=O)CCCC2)ccc1,288.07226,[M+H]+,20.0,test,CCc1cccc(S(=O)(=O)N=S2(=O)CCCC2)c1
506160,CCc1cc(S(=O)(=O)N=S2(=O)CCCC2)ccc1,288.07226,[M+H]+,60.0,test,CCc1cccc(S(=O)(=O)N=S2(=O)CCCC2)c1
506161,CCc1cc(S(=O)(=O)N=S2(=O)CCCC2)ccc1,288.07226,[M+H]+,30.0,test,CCc1cccc(S(=O)(=O)N=S2(=O)CCCC2)c1
506162,CCc1cc(S(=O)(=O)N=S2(=O)CCCC2)ccc1,288.07226,[M+H]+,20.0,test,CCc1cccc(S(=O)(=O)N=S2(=O)CCCC2)c1
506163,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,222.11247,[M+H-H2O]+,20.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506164,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,222.11247,[M+H-H2O]+,20.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506165,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,222.11247,[M+H-H2O]+,60.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506166,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,222.11247,[M+H-H2O]+,30.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506167,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,222.11247,[M+H-H2O]+,20.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506168,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,240.12303,[M+H]+,20.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506169,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,240.12303,[M+H]+,20.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506170,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,240.12303,[M+H]+,60.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506171,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,240.12303,[M+H]+,15.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506172,O=C(O)C1CC=CCC1C(=O)N1CCOCC1,240.12303,[M+H]+,20.0,test,O=C(O)C1CC=CCC1C(=O)N1CCOCC1
506173,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,238.10848,[M-H]-,20.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506174,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,238.10848,[M-H]-,20.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506175,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,238.10848,[M-H]-,60.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506176,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,238.10848,[M-H]-,30.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506177,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,238.10848,[M-H]-,20.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506178,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,240.12303,[M+H]+,20.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506179,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,240.12303,[M+H]+,20.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506180,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,240.12303,[M+H]+,60.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506181,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,240.12303,[M+H]+,15.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506182,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,240.12303,[M+H]+,20.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506183,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,240.12303,[M+H]+,60.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506184,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,240.12303,[M+H]+,15.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506185,CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1,240.12303,[M+H]+,20.0,test,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
506186,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,284.11396,[M+FA]-,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506187,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,284.11396,[M+FA]-,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506188,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,284.11396,[M+FA]-,60.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506189,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,284.11396,[M+FA]-,15.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506190,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,284.11396,[M+FA]-,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506191,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,240.12303,[M+H]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506192,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,240.12303,[M+H]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506193,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,240.12303,[M+H]+,60.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506194,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,240.12303,[M+H]+,15.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506195,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,240.12303,[M+H]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506196,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,240.12303,[M+H]+,60.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506197,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,240.12303,[M+H]+,15.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506198,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,240.12303,[M+H]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506199,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,257.14958,[M+NH4]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506200,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,257.14958,[M+NH4]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506201,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,257.14958,[M+NH4]+,60.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506202,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,257.14958,[M+NH4]+,15.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506203,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,257.14958,[M+NH4]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506204,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,262.10498,[M+Na]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506205,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,262.10498,[M+Na]+,30.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506206,COc1cc(=O)oc(C(NC(C)=O)C(C)C)c1,262.10498,[M+Na]+,20.0,test,COc1cc(C(NC(C)=O)C(C)C)oc(=O)c1
506207,Cc1cc2c(OC(C(O)CC(C)C)O2)c(=O)[nH]1,240.12303,[M+H]+,20.0,test,Cc1cc2c(c(=O)[nH]1)OC(C(O)CC(C)C)O2
506208,Cc1cc2c(OC(C(O)CC(C)C)O2)c(=O)[nH]1,240.12303,[M+H]+,20.0,test,Cc1cc2c(c(=O)[nH]1)OC(C(O)CC(C)C)O2
506209,Cc1cc2c(OC(C(O)CC(C)C)O2)c(=O)[nH]1,240.12303,[M+H]+,60.0,test,Cc1cc2c(c(=O)[nH]1)OC(C(O)CC(C)C)O2
506210,Cc1cc2c(OC(C(O)CC(C)C)O2)c(=O)[nH]1,240.12303,[M+H]+,30.0,test,Cc1cc2c(c(=O)[nH]1)OC(C(O)CC(C)C)O2
506211,Cc1cc2c(OC(C(O)CC(C)C)O2)c(=O)[nH]1,240.12303,[M+H]+,20.0,test,Cc1cc2c(c(=O)[nH]1)OC(C(O)CC(C)C)O2
506212,CCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1,334.0118,[M-H]-,20.0,test,CCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1
506213,CCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1,334.0118,[M-H]-,30.0,test,CCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1
506214,CCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1,334.0118,[M-H]-,20.0,test,CCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1
506215,CCCCc1cc(C)c(N=CNO)cc1,207.14919,[M+H]+,45.0,test,CCCCc1ccc(N=CNO)c(C)c1
506216,CCCCc1cc(C)c(N=CNO)cc1,207.14919,[M+H]+,45.0,test,CCCCc1ccc(N=CNO)c(C)c1
506217,CCCCc1cc(C)c(N=CNO)cc1,207.14919,[M+H]+,30.0,test,CCCCc1ccc(N=CNO)c(C)c1
506218,CCCCc1cc(C)c(N=CNO)cc1,207.14919,[M+H]+,20.0,test,CCCCc1ccc(N=CNO)c(C)c1
506219,CCCCc1cc(C)c(N=CNO)cc1,207.14919,[M+H]+,60.0,test,CCCCc1ccc(N=CNO)c(C)c1
506220,CCCCc1cc(C)c(N=CNO)cc1,207.14919,[M+H]+,45.0,test,CCCCc1ccc(N=CNO)c(C)c1
506221,CCCCc1cc(C)c(N=CNO)cc1,207.14919,[M+H]+,20.0,test,CCCCc1ccc(N=CNO)c(C)c1
506222,CCCCc1cc(C)c(N=CNO)cc1,207.14919,[M+H]+,60.0,test,CCCCc1ccc(N=CNO)c(C)c1
506223,COCCCNC(=O)c1nc(NC(C)C)ncc1Br,331.07641,[M+H]+,20.0,test,COCCCNC(=O)c1nc(NC(C)C)ncc1Br
506224,COCCCNC(=O)c1nc(NC(C)C)ncc1Br,331.07641,[M+H]+,20.0,test,COCCCNC(=O)c1nc(NC(C)C)ncc1Br
506225,COCCCNC(=O)c1nc(NC(C)C)ncc1Br,331.07641,[M+H]+,60.0,test,COCCCNC(=O)c1nc(NC(C)C)ncc1Br
506226,COCCCNC(=O)c1nc(NC(C)C)ncc1Br,331.07641,[M+H]+,30.0,test,COCCCNC(=O)c1nc(NC(C)C)ncc1Br
506227,COCCCNC(=O)c1nc(NC(C)C)ncc1Br,331.07641,[M+H]+,20.0,test,COCCCNC(=O)c1nc(NC(C)C)ncc1Br
506228,COCCCNC(=O)c1nc(NC(C)C)ncc1Br,331.07641,[M+H]+,60.0,test,COCCCNC(=O)c1nc(NC(C)C)ncc1Br
506229,COCCCNC(=O)c1nc(NC(C)C)ncc1Br,331.07641,[M+H]+,30.0,test,COCCCNC(=O)c1nc(NC(C)C)ncc1Br
506230,COCCCNC(=O)c1nc(NC(C)C)ncc1Br,331.07641,[M+H]+,20.0,test,COCCCNC(=O)c1nc(NC(C)C)ncc1Br
506231,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1,331.07641,[M+H]+,20.0,test,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1
506232,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1,331.07641,[M+H]+,20.0,test,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1
506233,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1,331.07641,[M+H]+,60.0,test,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1
506234,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1,331.07641,[M+H]+,15.0,test,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1
506235,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1,331.07641,[M+H]+,20.0,test,CC(C)(C)OC(=O)NCCCNc1ncc(Br)cn1
506236,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,306.10933,[M-H]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506237,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,306.10933,[M-H]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506238,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,306.10933,[M-H]-,60.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506239,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,306.10933,[M-H]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506240,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,306.10933,[M-H]-,45.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506241,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,306.10933,[M-H]-,60.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506242,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,306.10933,[M-H]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506243,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,306.10933,[M-H]-,45.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506244,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,342.08601,[M+Cl]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506245,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,342.08601,[M+Cl]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506246,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,342.08601,[M+Cl]-,60.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506247,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,342.08601,[M+Cl]-,15.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506248,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,342.08601,[M+Cl]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506249,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,352.11481,[M+FA]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506250,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,352.11481,[M+FA]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506251,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,352.11481,[M+FA]-,60.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506252,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,352.11481,[M+FA]-,15.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506253,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1,352.11481,[M+FA]-,20.0,test,CC(C)n1cc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1
506254,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,20.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506255,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,20.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506256,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,60.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506257,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,15.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506258,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,20.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506259,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,20.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506260,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,20.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506261,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,60.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506262,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,15.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506263,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1,264.14058,[M+H]+,20.0,test,CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1
506264,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,294.0981,[M-H]-,20.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506265,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,294.0981,[M-H]-,20.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506266,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,294.0981,[M-H]-,60.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506267,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,294.0981,[M-H]-,30.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506268,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,294.0981,[M-H]-,20.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506269,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,294.0981,[M-H]-,60.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506270,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,294.0981,[M-H]-,30.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506271,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,294.0981,[M-H]-,20.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506272,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,330.07477,[M+Cl]-,20.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506273,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,330.07477,[M+Cl]-,20.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506274,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,330.07477,[M+Cl]-,15.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506275,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,330.07477,[M+Cl]-,20.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506276,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,340.10357,[M+FA]-,15.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506277,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,340.10357,[M+FA]-,15.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506278,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,340.10357,[M+FA]-,20.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506279,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,340.10357,[M+FA]-,60.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506280,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1,340.10357,[M+FA]-,15.0,test,CS(=O)(=O)C1(CNC(=O)C2CCCC(F)(F)C2)CC1
506281,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,316.09727,[M-H]-,20.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506282,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,316.09727,[M-H]-,20.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506283,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,316.09727,[M-H]-,60.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506284,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,316.09727,[M-H]-,30.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506285,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,316.09727,[M-H]-,20.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506286,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,318.11182,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506287,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,318.11182,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506288,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,318.11182,[M+H]+,60.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506289,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,318.11182,[M+H]+,30.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506290,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C,318.11182,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCOC(CC(=O)O)C2)nc1C
506291,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,318.11182,[M+H]+,20.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506292,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,318.11182,[M+H]+,20.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506293,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,318.11182,[M+H]+,60.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506294,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,318.11182,[M+H]+,15.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506295,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,318.11182,[M+H]+,20.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506296,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,318.11182,[M+H]+,20.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506297,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,318.11182,[M+H]+,15.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506298,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,318.11182,[M+H]+,60.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506299,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,340.09376,[M+Na]+,20.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506300,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1,340.09376,[M+Na]+,20.0,test,CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1
506301,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1,225.15975,[M+H]+,20.0,test,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1
506302,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1,225.15975,[M+H]+,20.0,test,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1
506303,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1,225.15975,[M+H]+,60.0,test,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1
506304,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1,225.15975,[M+H]+,30.0,test,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1
506305,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1,225.15975,[M+H]+,20.0,test,CC(C)[C@@H](CO)NC(=O)[C@H](C)n1cccc1
506306,O=C(O)C1CCCN1C(=O)NC1CCCCC1,239.14012,[M-H]-,20.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506307,O=C(O)C1CCCN1C(=O)NC1CCCCC1,239.14012,[M-H]-,20.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506308,O=C(O)C1CCCN1C(=O)NC1CCCCC1,239.14012,[M-H]-,60.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506309,O=C(O)C1CCCN1C(=O)NC1CCCCC1,239.14012,[M-H]-,15.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506310,O=C(O)C1CCCN1C(=O)NC1CCCCC1,239.14012,[M-H]-,20.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506311,O=C(O)C1CCCN1C(=O)NC1CCCCC1,239.14012,[M-H]-,60.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506312,O=C(O)C1CCCN1C(=O)NC1CCCCC1,239.14012,[M-H]-,15.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506313,O=C(O)C1CCCN1C(=O)NC1CCCCC1,239.14012,[M-H]-,20.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506314,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,239.14012,[M-H]-,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506315,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,239.14012,[M-H]-,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506316,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,239.14012,[M-H]-,60.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506317,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,239.14012,[M-H]-,15.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506318,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,239.14012,[M-H]-,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506319,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,239.14012,[M-H]-,60.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506320,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,239.14012,[M-H]-,15.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506321,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,239.14012,[M-H]-,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506322,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,275.11679,[M+Cl]-,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506323,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,275.11679,[M+Cl]-,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506324,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,275.11679,[M+Cl]-,60.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506325,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,275.11679,[M+Cl]-,15.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506326,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,275.11679,[M+Cl]-,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506327,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,223.14411,[M+H-H2O]+,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506328,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,223.14411,[M+H-H2O]+,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506329,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,223.14411,[M+H-H2O]+,60.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506330,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,223.14411,[M+H-H2O]+,30.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506331,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,223.14411,[M+H-H2O]+,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506332,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,241.15467,[M+H]+,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506333,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,241.15467,[M+H]+,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506334,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,241.15467,[M+H]+,60.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506335,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,241.15467,[M+H]+,30.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506336,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,241.15467,[M+H]+,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506337,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,241.15467,[M+H]+,60.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506338,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,241.15467,[M+H]+,30.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506339,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1,241.15467,[M+H]+,20.0,test,O=C(O)C1CCCN(C(=O)NC2CCCC2)C1
506340,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,223.14411,[M+H-H2O]+,20.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506341,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,223.14411,[M+H-H2O]+,20.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506342,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,223.14411,[M+H-H2O]+,60.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506343,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,223.14411,[M+H-H2O]+,30.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506344,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,223.14411,[M+H-H2O]+,20.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506345,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,241.15467,[M+H]+,20.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506346,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,241.15467,[M+H]+,20.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506347,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,241.15467,[M+H]+,60.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506348,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,241.15467,[M+H]+,30.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506349,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1,241.15467,[M+H]+,20.0,test,CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1
506350,O=C(O)C1CCCN1C(=O)NC1CCCCC1,241.15467,[M+H]+,20.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506351,O=C(O)C1CCCN1C(=O)NC1CCCCC1,241.15467,[M+H]+,20.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506352,O=C(O)C1CCCN1C(=O)NC1CCCCC1,241.15467,[M+H]+,30.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506353,O=C(O)C1CCCN1C(=O)NC1CCCCC1,241.15467,[M+H]+,60.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506354,O=C(O)C1CCCN1C(=O)NC1CCCCC1,241.15467,[M+H]+,15.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506355,O=C(O)C1CCCN1C(=O)NC1CCCCC1,241.15467,[M+H]+,20.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506356,O=C(O)C1CCCN1C(=O)NC1CCCCC1,241.15467,[M+H]+,60.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506357,O=C(O)C1CCCN1C(=O)NC1CCCCC1,241.15467,[M+H]+,20.0,test,O=C(O)C1CCCN1C(=O)NC1CCCCC1
506358,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,271.11219,[M-H]-,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506359,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,271.11219,[M-H]-,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506360,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,271.11219,[M-H]-,60.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506361,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,271.11219,[M-H]-,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506362,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,271.11219,[M-H]-,45.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506363,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,271.11219,[M-H]-,60.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506364,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,271.11219,[M-H]-,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506365,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,271.11219,[M-H]-,45.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506366,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,307.08886,[M+Cl]-,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506367,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,307.08886,[M+Cl]-,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506368,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,307.08886,[M+Cl]-,60.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506369,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,307.08886,[M+Cl]-,15.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506370,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,273.12674,[M+H]+,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506371,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,273.12674,[M+H]+,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506372,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,273.12674,[M+H]+,60.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506373,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,273.12674,[M+H]+,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506374,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,273.12674,[M+H]+,45.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506375,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,273.12674,[M+H]+,60.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506376,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,273.12674,[M+H]+,20.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506377,C[C@@H](O)CNS(=O)(=O)c1cnc(C(C)(C)C)cc1,273.12674,[M+H]+,45.0,test,C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1
506378,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,271.11219,[M-H]-,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506379,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,271.11219,[M-H]-,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506380,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,271.11219,[M-H]-,60.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506381,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,271.11219,[M-H]-,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506382,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,271.11219,[M-H]-,45.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506383,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,254.10835,[M-H2O]+,30.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506384,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,254.10835,[M-H2O]+,30.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506385,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,254.10835,[M-H2O]+,60.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506386,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,254.10835,[M-H2O]+,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506387,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,254.10835,[M-H2O]+,30.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506388,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,255.11618,[M+H-H2O]+,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506389,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,255.11618,[M+H-H2O]+,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506390,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,255.11618,[M+H-H2O]+,60.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506391,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,255.11618,[M+H-H2O]+,30.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506392,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,255.11618,[M+H-H2O]+,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506393,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,273.12674,[M+H]+,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506394,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,273.12674,[M+H]+,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506395,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,273.12674,[M+H]+,60.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506396,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,273.12674,[M+H]+,15.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506397,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,273.12674,[M+H]+,20.0,test,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
506398,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,334.09007,[M-H]-,20.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506399,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,334.09007,[M-H]-,20.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506400,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,334.09007,[M-H]-,60.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506401,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,334.09007,[M-H]-,30.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506402,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,334.09007,[M-H]-,20.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506403,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,334.09007,[M-H]-,60.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506404,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,334.09007,[M-H]-,30.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506405,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,334.09007,[M-H]-,20.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506406,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,336.10462,[M+H]+,20.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506407,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,336.10462,[M+H]+,20.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506408,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,336.10462,[M+H]+,60.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506409,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,336.10462,[M+H]+,30.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506410,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,336.10462,[M+H]+,20.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506411,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,336.10462,[M+H]+,60.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506412,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,336.10462,[M+H]+,30.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506413,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C,336.10462,[M+H]+,20.0,test,CN=S(=O)(c1ccc(NS(=O)(=O)CCOC)cc1)N(C)C
506414,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,338.09151,[M-H]-,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506415,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,338.09151,[M-H]-,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506416,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,338.09151,[M-H]-,60.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506417,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,338.09151,[M-H]-,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506418,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,338.09151,[M-H]-,45.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506419,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,374.06819,[M+Cl]-,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506420,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,374.06819,[M+Cl]-,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506421,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,374.06819,[M+Cl]-,60.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506422,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,374.06819,[M+Cl]-,15.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506423,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,374.06819,[M+Cl]-,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506424,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,357.13261,[M+NH4]+,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506425,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,357.13261,[M+NH4]+,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506426,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,357.13261,[M+NH4]+,60.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506427,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,357.13261,[M+NH4]+,15.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506428,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,357.13261,[M+NH4]+,20.0,test,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
506429,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O,262.14601,[M-H]-,20.0,test,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O
506430,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O,262.14601,[M-H]-,20.0,test,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O
506431,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O,262.14601,[M-H]-,60.0,test,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O
506432,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O,262.14601,[M-H]-,30.0,test,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O
506433,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O,262.14601,[M-H]-,20.0,test,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O
506434,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O,262.14601,[M-H]-,30.0,test,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O
506435,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O,262.14601,[M-H]-,20.0,test,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O
506436,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O,262.14601,[M-H]-,60.0,test,CN(C(=O)OC(C)(C)C)C(CC(C)(C)F)C(=O)O
506437,CCC(O)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,325.15041,[M+FA]-,20.0,test,CCC(O)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
506438,CCC(O)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,325.15041,[M+FA]-,60.0,test,CCC(O)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
506439,CCC(O)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,325.15041,[M+FA]-,20.0,test,CCC(O)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
506440,O=C1C=CC(=O)C(c2c(Cl)ccc(Cl)c2)=C1,250.96721,[M-H]-,20.0,test,O=C1C=CC(=O)C(c2cc(Cl)ccc2Cl)=C1
506441,O=C1C=CC(=O)C(c2c(Cl)ccc(Cl)c2)=C1,250.96721,[M-H]-,20.0,test,O=C1C=CC(=O)C(c2cc(Cl)ccc2Cl)=C1
506442,O=C1C=CC(=O)C(c2c(Cl)ccc(Cl)c2)=C1,250.96721,[M-H]-,60.0,test,O=C1C=CC(=O)C(c2cc(Cl)ccc2Cl)=C1
506443,O=C1C=CC(=O)C(c2c(Cl)ccc(Cl)c2)=C1,250.96721,[M-H]-,20.0,test,O=C1C=CC(=O)C(c2cc(Cl)ccc2Cl)=C1
506444,O=C1C=CC(=O)C(c2c(Cl)ccc(Cl)c2)=C1,250.96721,[M-H]-,45.0,test,O=C1C=CC(=O)C(c2cc(Cl)ccc2Cl)=C1
506445,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,250.03212,[M-H]-,20.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506446,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,250.03212,[M-H]-,20.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506447,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,250.03212,[M-H]-,30.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506448,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,250.03212,[M-H]-,60.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506449,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,250.03212,[M-H]-,15.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506450,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,250.03212,[M-H]-,20.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506451,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,250.03212,[M-H]-,60.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506452,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,250.03212,[M-H]-,20.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506453,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,252.04668,[M+H]+,20.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506454,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,252.04668,[M+H]+,20.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506455,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,252.04668,[M+H]+,60.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506456,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,252.04668,[M+H]+,20.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506457,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,252.04668,[M+H]+,45.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506458,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,252.04668,[M+H]+,60.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506459,O=C(O)c1cc(Oc2c(F)cc(F)cc2)ncc1,252.04668,[M+H]+,20.0,test,O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1
506460,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ncc(O)cc1,302.01042,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506461,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ncc(O)cc1,302.01042,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506462,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ncc(O)cc1,302.01042,[M-H]-,60.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506463,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ncc(O)cc1,302.01042,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506464,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ncc(O)cc1,302.01042,[M-H]-,45.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506465,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ncc(O)cc1,302.01042,[M-H]-,60.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506466,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ncc(O)cc1,302.01042,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506467,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ncc(O)cc1,302.01042,[M-H]-,45.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506468,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,302.01042,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506469,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,302.01042,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506470,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,302.01042,[M-H]-,45.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506471,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,302.01042,[M-H]-,60.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506472,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,302.01042,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506473,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,302.01042,[M-H]-,45.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506474,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,302.01042,[M-H]-,60.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506475,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,302.01042,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506476,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,304.02497,[M+H]+,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506477,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,304.02497,[M+H]+,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506478,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,304.02497,[M+H]+,45.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506479,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,304.02497,[M+H]+,60.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506480,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1,304.02497,[M+H]+,20.0,test,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
506481,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,286.99378,[M-H]-,20.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506482,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,286.99378,[M-H]-,20.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506483,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,286.99378,[M-H]-,45.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506484,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,286.99378,[M-H]-,60.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506485,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,286.99378,[M-H]-,20.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506486,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,289.00833,[M+H]+,20.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506487,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,289.00833,[M+H]+,20.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506488,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,289.00833,[M+H]+,45.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506489,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,289.00833,[M+H]+,60.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506490,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,289.00833,[M+H]+,20.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506491,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,289.00833,[M+H]+,45.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506492,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,289.00833,[M+H]+,60.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506493,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1,289.00833,[M+H]+,20.0,test,Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
506494,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1,336.97532,[M+H]+,20.0,test,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1
506495,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1,336.97532,[M+H]+,20.0,test,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1
506496,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1,336.97532,[M+H]+,60.0,test,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1
506497,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1,336.97532,[M+H]+,30.0,test,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1
506498,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1,336.97532,[M+H]+,20.0,test,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1
506499,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1,336.97532,[M+H]+,30.0,test,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1
506500,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1,336.97532,[M+H]+,60.0,test,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1
506501,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1,336.97532,[M+H]+,20.0,test,Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1
506502,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,20.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506503,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,20.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506504,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,60.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506505,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,15.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506506,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,20.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506507,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,60.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506508,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,15.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506509,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,20.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506510,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,20.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506511,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,20.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506512,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,60.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506513,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,15.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506514,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,20.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506515,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,60.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506516,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,15.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506517,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,285.02479,[M-H]-,20.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506518,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,20.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506519,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,20.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506520,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,60.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506521,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,20.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506522,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,45.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506523,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,60.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506524,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,20.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506525,Cc1nn(-c2cc(Cl)ccc2)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,45.0,test,Cc1nn(-c2cccc(Cl)c2)c(C(F)F)c1C(=O)O
506526,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,20.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506527,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,20.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506528,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,60.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506529,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,20.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506530,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,45.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506531,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,60.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506532,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,20.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506533,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O,287.03934,[M+H]+,45.0,test,Cc1nn(-c2ccccc2Cl)c(C(F)F)c1C(=O)O
506534,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,20.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506535,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,20.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506536,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,60.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506537,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,30.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506538,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,20.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506539,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,307.0062,[M-H]-,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506540,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,307.0062,[M-H]-,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506541,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,307.0062,[M-H]-,45.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506542,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,307.0062,[M-H]-,60.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506543,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,307.0062,[M-H]-,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506544,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,307.0062,[M-H]-,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506545,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,307.0062,[M-H]-,60.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506546,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,307.0062,[M-H]-,45.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506547,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,307.0062,[M-H]-,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506548,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,307.0062,[M-H]-,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506549,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,307.0062,[M-H]-,45.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506550,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,307.0062,[M-H]-,60.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506551,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,307.0062,[M-H]-,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506552,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,309.02075,[M+H]+,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506553,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,309.02075,[M+H]+,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506554,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,309.02075,[M+H]+,60.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506555,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,309.02075,[M+H]+,30.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506556,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,309.02075,[M+H]+,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506557,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,309.02075,[M+H]+,60.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506558,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,309.02075,[M+H]+,30.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506559,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1,309.02075,[M+H]+,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccc(Cl)cc1
506560,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,309.02075,[M+H]+,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506561,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,309.02075,[M+H]+,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506562,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,309.02075,[M+H]+,60.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506563,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,309.02075,[M+H]+,30.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506564,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,309.02075,[M+H]+,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506565,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,309.02075,[M+H]+,60.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506566,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,309.02075,[M+H]+,30.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506567,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl,309.02075,[M+H]+,20.0,test,O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
506568,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,20.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506569,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,20.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506570,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,60.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506571,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,30.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506572,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O,309.02075,[M+H]+,20.0,test,Cc1nnc2sc(COc3ccccc3Cl)nn2c1=O
506573,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1,303.04096,[M+H]+,20.0,test,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
506574,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1,303.04096,[M+H]+,20.0,test,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
506575,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1,303.04096,[M+H]+,45.0,test,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
506576,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1,303.04096,[M+H]+,60.0,test,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
506577,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1,303.04096,[M+H]+,20.0,test,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
506578,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1,303.04096,[M+H]+,45.0,test,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
506579,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1,303.04096,[M+H]+,60.0,test,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
506580,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1,303.04096,[M+H]+,20.0,test,Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
506581,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,230.04588,[M-H]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506582,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,230.04588,[M-H]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506583,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,230.04588,[M-H]-,60.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506584,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,230.04588,[M-H]-,30.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506585,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,230.04588,[M-H]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506586,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,230.04588,[M-H]-,60.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506587,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,230.04588,[M-H]-,30.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506588,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,230.04588,[M-H]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506589,O=C(Nc1ccccc1C(=O)O)c1ccco1,230.04588,[M-H]-,20.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506590,O=C(Nc1ccccc1C(=O)O)c1ccco1,230.04588,[M-H]-,20.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506591,O=C(Nc1ccccc1C(=O)O)c1ccco1,230.04588,[M-H]-,60.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506592,O=C(Nc1ccccc1C(=O)O)c1ccco1,230.04588,[M-H]-,30.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506593,O=C(Nc1ccccc1C(=O)O)c1ccco1,230.04588,[M-H]-,20.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506594,O=C(Nc1ccccc1C(=O)O)c1ccco1,230.04588,[M-H]-,60.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506595,O=C(Nc1ccccc1C(=O)O)c1ccco1,230.04588,[M-H]-,30.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506596,O=C(Nc1ccccc1C(=O)O)c1ccco1,230.04588,[M-H]-,20.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506597,C=CCN1C(=O)c2c(cc(C(=O)O)cc2)C1=O,230.04588,[M-H]-,20.0,test,C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
506598,C=CCN1C(=O)c2c(cc(C(=O)O)cc2)C1=O,230.04588,[M-H]-,20.0,test,C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
506599,C=CCN1C(=O)c2c(cc(C(=O)O)cc2)C1=O,230.04588,[M-H]-,60.0,test,C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
506600,C=CCN1C(=O)c2c(cc(C(=O)O)cc2)C1=O,230.04588,[M-H]-,15.0,test,C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
506601,C=CCN1C(=O)c2c(cc(C(=O)O)cc2)C1=O,230.04588,[M-H]-,20.0,test,C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
506602,C=CCN1C(=O)c2c(cc(C(=O)O)cc2)C1=O,230.04588,[M-H]-,60.0,test,C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
506603,C=CCN1C(=O)c2c(cc(C(=O)O)cc2)C1=O,230.04588,[M-H]-,15.0,test,C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
506604,C=CCN1C(=O)c2c(cc(C(=O)O)cc2)C1=O,230.04588,[M-H]-,20.0,test,C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
506605,O=C(O)c1noc(-c2cc3c(cc2)OCC3)c1,232.06043,[M+H]+,20.0,test,O=C(O)c1cc(-c2ccc3c(c2)CCO3)on1
506606,O=C(O)c1noc(-c2cc3c(cc2)OCC3)c1,232.06043,[M+H]+,20.0,test,O=C(O)c1cc(-c2ccc3c(c2)CCO3)on1
506607,O=C(O)c1noc(-c2cc3c(cc2)OCC3)c1,232.06043,[M+H]+,60.0,test,O=C(O)c1cc(-c2ccc3c(c2)CCO3)on1
506608,O=C(O)c1noc(-c2cc3c(cc2)OCC3)c1,232.06043,[M+H]+,20.0,test,O=C(O)c1cc(-c2ccc3c(c2)CCO3)on1
506609,O=C(O)c1noc(-c2cc3c(cc2)OCC3)c1,232.06043,[M+H]+,45.0,test,O=C(O)c1cc(-c2ccc3c(c2)CCO3)on1
506610,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,214.04987,[M+H-H2O]+,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506611,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,214.04987,[M+H-H2O]+,60.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506612,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,214.04987,[M+H-H2O]+,30.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506613,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,214.04987,[M+H-H2O]+,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506614,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,232.06043,[M+H]+,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506615,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,232.06043,[M+H]+,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506616,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,232.06043,[M+H]+,60.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506617,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,232.06043,[M+H]+,30.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506618,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,232.06043,[M+H]+,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506619,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,232.06043,[M+H]+,60.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506620,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,232.06043,[M+H]+,30.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506621,O=C(O)c1cc(NC(=O)c2ccco2)ccc1,232.06043,[M+H]+,20.0,test,O=C(O)c1cccc(NC(=O)c2ccco2)c1
506622,O=C(Nc1ccccc1C(=O)O)c1ccco1,232.06043,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506623,O=C(Nc1ccccc1C(=O)O)c1ccco1,232.06043,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506624,O=C(Nc1ccccc1C(=O)O)c1ccco1,232.06043,[M+H]+,60.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506625,O=C(Nc1ccccc1C(=O)O)c1ccco1,232.06043,[M+H]+,15.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506626,O=C(Nc1ccccc1C(=O)O)c1ccco1,232.06043,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)O)c1ccco1
506627,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,309.97687,[M-H]-,20.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506628,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,309.97687,[M-H]-,20.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506629,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,309.97687,[M-H]-,60.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506630,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,309.97687,[M-H]-,15.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506631,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,309.97687,[M-H]-,20.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506632,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,311.99142,[M+H]+,20.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506633,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,311.99142,[M+H]+,20.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506634,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,311.99142,[M+H]+,60.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506635,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,311.99142,[M+H]+,15.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506636,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1,311.99142,[M+H]+,20.0,test,O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1
506637,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,245.04555,[M-H]-,20.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506638,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,245.04555,[M-H]-,20.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506639,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,245.04555,[M-H]-,60.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506640,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,245.04555,[M-H]-,30.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506641,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,245.04555,[M-H]-,20.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506642,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,247.0601,[M+H]+,20.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506643,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,247.0601,[M+H]+,20.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506644,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,247.0601,[M+H]+,60.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506645,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,247.0601,[M+H]+,30.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506646,O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2)o1,247.0601,[M+H]+,20.0,test,O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1
506647,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,20.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506648,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,20.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506649,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,60.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506650,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,20.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506651,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,45.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506652,O=C(c1cc(O)ccc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,20.0,test,O=C(c1cccc(O)c1)c1c(O)cc(O)cc1O
506653,O=C(c1cc(O)ccc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,20.0,test,O=C(c1cccc(O)c1)c1c(O)cc(O)cc1O
506654,O=C(c1cc(O)ccc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,60.0,test,O=C(c1cccc(O)c1)c1c(O)cc(O)cc1O
506655,O=C(c1cc(O)ccc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,20.0,test,O=C(c1cccc(O)c1)c1c(O)cc(O)cc1O
506656,O=C(c1cc(O)ccc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,45.0,test,O=C(c1cccc(O)c1)c1c(O)cc(O)cc1O
506657,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,20.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506658,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,20.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506659,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,30.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506660,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,60.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506661,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,20.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506662,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,45.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506663,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,60.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506664,COc1c2ccoc2c(OC)c2c1ccc(=O)o2,247.0601,[M+H]+,20.0,test,COc1c2ccoc2c(OC)c2oc(=O)ccc12
506665,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,20.0,test,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O
506666,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,20.0,test,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O
506667,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,60.0,test,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O
506668,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,30.0,test,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O
506669,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,20.0,test,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O
506670,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,30.0,test,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O
506671,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,20.0,test,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O
506672,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O,245.04555,[M-H]-,60.0,test,O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O
506673,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,309.9978,[M-H]-,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506674,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,309.9978,[M-H]-,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506675,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,309.9978,[M-H]-,60.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506676,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,309.9978,[M-H]-,15.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506677,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,309.9978,[M-H]-,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506678,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,309.9978,[M-H]-,15.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506679,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,309.9978,[M-H]-,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506680,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,309.9978,[M-H]-,60.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506681,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,345.97447,[M+Cl]-,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506682,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,345.97447,[M+Cl]-,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506683,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,345.97447,[M+Cl]-,60.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506684,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,345.97447,[M+Cl]-,15.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506685,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,345.97447,[M+Cl]-,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506686,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,309.9978,[M-H]-,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506687,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,309.9978,[M-H]-,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506688,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,309.9978,[M-H]-,60.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506689,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,309.9978,[M-H]-,30.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506690,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,309.9978,[M-H]-,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506691,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,309.9978,[M-H]-,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506692,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,309.9978,[M-H]-,30.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506693,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,309.9978,[M-H]-,60.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506694,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,345.97447,[M+Cl]-,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506695,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,345.97447,[M+Cl]-,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506696,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,345.97447,[M+Cl]-,15.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506697,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,345.97447,[M+Cl]-,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506698,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,312.01235,[M+H]+,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506699,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,312.01235,[M+H]+,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506700,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,312.01235,[M+H]+,60.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506701,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,312.01235,[M+H]+,30.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506702,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,312.01235,[M+H]+,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506703,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,312.01235,[M+H]+,60.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506704,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,312.01235,[M+H]+,30.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506705,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl,312.01235,[M+H]+,20.0,test,S=C(NCc1ccncc1)Nc1ccc(Cl)cc1Cl
506706,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,312.01235,[M+H]+,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506707,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,312.01235,[M+H]+,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506708,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,312.01235,[M+H]+,60.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506709,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,312.01235,[M+H]+,30.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506710,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,312.01235,[M+H]+,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506711,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,312.01235,[M+H]+,60.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506712,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,312.01235,[M+H]+,30.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506713,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1,312.01235,[M+H]+,20.0,test,SC(=NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
506714,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,332.04191,[M-H]-,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506715,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,332.04191,[M-H]-,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506716,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,332.04191,[M-H]-,45.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506717,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,332.04191,[M-H]-,60.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506718,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,332.04191,[M-H]-,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506719,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,332.04191,[M-H]-,60.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506720,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,332.04191,[M-H]-,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506721,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,368.01859,[M+Cl]-,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506722,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,368.01859,[M+Cl]-,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506723,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,368.01859,[M+Cl]-,60.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506724,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,334.05647,[M+H]+,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506725,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,334.05647,[M+H]+,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506726,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,334.05647,[M+H]+,60.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506727,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,334.05647,[M+H]+,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506728,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,334.05647,[M+H]+,60.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506729,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O,334.05647,[M+H]+,20.0,test,Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
506730,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,315.04206,[M-H]-,20.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506731,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,315.04206,[M-H]-,20.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506732,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,315.04206,[M-H]-,60.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506733,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,315.04206,[M-H]-,15.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506734,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,315.04206,[M-H]-,20.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506735,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,315.04206,[M-H]-,20.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506736,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,315.04206,[M-H]-,15.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506737,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,315.04206,[M-H]-,60.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506738,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,317.05661,[M+H]+,20.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506739,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,317.05661,[M+H]+,20.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506740,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,317.05661,[M+H]+,60.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506741,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,317.05661,[M+H]+,30.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506742,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1,317.05661,[M+H]+,20.0,test,O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1
506743,Cn1ncc2c1nnn(CC(=O)Nc1cc(F)ccc1)c2=O,301.08548,[M-H]-,20.0,test,Cn1ncc2c(=O)n(CC(=O)Nc3cccc(F)c3)nnc21
506744,Cn1ncc2c1nnn(CC(=O)Nc1cc(F)ccc1)c2=O,301.08548,[M-H]-,20.0,test,Cn1ncc2c(=O)n(CC(=O)Nc3cccc(F)c3)nnc21
506745,Cn1ncc2c1nnn(CC(=O)Nc1cc(F)ccc1)c2=O,301.08548,[M-H]-,60.0,test,Cn1ncc2c(=O)n(CC(=O)Nc3cccc(F)c3)nnc21
506746,Cn1ncc2c1nnn(CC(=O)Nc1cc(F)ccc1)c2=O,301.08548,[M-H]-,30.0,test,Cn1ncc2c(=O)n(CC(=O)Nc3cccc(F)c3)nnc21
506747,Cn1ncc2c1nnn(CC(=O)Nc1cc(F)ccc1)c2=O,301.08548,[M-H]-,20.0,test,Cn1ncc2c(=O)n(CC(=O)Nc3cccc(F)c3)nnc21
506748,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,272.04992,[M-H]-,20.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506749,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,272.04992,[M-H]-,20.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506750,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,272.04992,[M-H]-,60.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506751,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,272.04992,[M-H]-,15.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506752,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,272.04992,[M-H]-,20.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506753,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,272.04992,[M-H]-,60.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506754,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,272.04992,[M-H]-,15.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506755,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,272.04992,[M-H]-,20.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506756,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,274.06447,[M+H]+,20.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506757,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,274.06447,[M+H]+,20.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506758,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,274.06447,[M+H]+,60.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506759,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,274.06447,[M+H]+,20.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506760,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,274.06447,[M+H]+,60.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506761,Cc1c(-c2nc3ccccc3n2CC(=O)O)scn1,274.06447,[M+H]+,20.0,test,Cc1ncsc1-c1nc2ccccc2n1CC(=O)O
506762,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506763,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506764,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506765,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,15.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506766,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506767,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506768,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506769,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506770,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,15.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506771,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506772,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506773,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,15.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506774,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,336.01182,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506775,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,338.02637,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506776,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,338.02637,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506777,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,338.02637,[M+H]+,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506778,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,338.02637,[M+H]+,30.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506779,CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccs2)S1(=O)=O,338.02637,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
506780,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,284.07891,[M-H]-,20.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506781,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,284.07891,[M-H]-,20.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506782,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,284.07891,[M-H]-,60.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506783,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,284.07891,[M-H]-,30.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506784,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,284.07891,[M-H]-,20.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506785,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,286.09346,[M+H]+,20.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506786,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,286.09346,[M+H]+,20.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506787,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,286.09346,[M+H]+,60.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506788,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,286.09346,[M+H]+,15.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506789,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1,286.09346,[M+H]+,20.0,test,O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1
506790,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,244.06153,[M-H]-,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506791,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,244.06153,[M-H]-,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506792,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,244.06153,[M-H]-,60.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506793,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,244.06153,[M-H]-,30.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506794,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,244.06153,[M-H]-,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506795,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,244.06153,[M-H]-,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506796,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,244.06153,[M-H]-,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506797,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,244.06153,[M-H]-,60.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506798,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,244.06153,[M-H]-,30.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506799,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,244.06153,[M-H]-,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506800,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,244.06153,[M-H]-,60.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506801,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,244.06153,[M-H]-,30.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506802,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,244.06153,[M-H]-,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506803,COc1ccccc1-n1cc(C(=O)O)ccc1=O,244.06153,[M-H]-,20.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506804,COc1ccccc1-n1cc(C(=O)O)ccc1=O,244.06153,[M-H]-,20.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506805,COc1ccccc1-n1cc(C(=O)O)ccc1=O,244.06153,[M-H]-,60.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506806,COc1ccccc1-n1cc(C(=O)O)ccc1=O,244.06153,[M-H]-,15.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506807,COc1ccccc1-n1cc(C(=O)O)ccc1=O,244.06153,[M-H]-,20.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506808,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,244.06153,[M-H]-,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506809,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,244.06153,[M-H]-,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506810,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,244.06153,[M-H]-,60.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506811,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,244.06153,[M-H]-,30.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506812,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,244.06153,[M-H]-,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506813,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,244.06153,[M-H]-,60.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506814,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,244.06153,[M-H]-,30.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506815,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,244.06153,[M-H]-,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506816,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,244.06153,[M-H]-,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506817,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,244.06153,[M-H]-,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506818,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,244.06153,[M-H]-,60.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506819,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,244.06153,[M-H]-,30.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506820,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,244.06153,[M-H]-,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506821,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,244.06153,[M-H]-,60.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506822,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,244.06153,[M-H]-,30.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506823,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,244.06153,[M-H]-,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506824,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,228.06552,[M+H-H2O]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506825,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,228.06552,[M+H-H2O]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506826,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,228.06552,[M+H-H2O]+,60.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506827,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,228.06552,[M+H-H2O]+,30.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506828,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,228.06552,[M+H-H2O]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506829,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,246.07608,[M+H]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506830,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,246.07608,[M+H]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506831,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,246.07608,[M+H]+,60.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506832,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,246.07608,[M+H]+,15.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506833,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,246.07608,[M+H]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506834,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,246.07608,[M+H]+,60.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506835,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,246.07608,[M+H]+,15.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506836,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1,246.07608,[M+H]+,20.0,test,O=C(NC1(C(=O)O)CC1)c1cc2ccccc2o1
506837,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,246.07608,[M+H]+,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506838,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,246.07608,[M+H]+,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506839,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,246.07608,[M+H]+,60.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506840,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,246.07608,[M+H]+,30.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506841,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,246.07608,[M+H]+,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506842,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,246.07608,[M+H]+,60.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506843,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,246.07608,[M+H]+,30.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506844,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,246.07608,[M+H]+,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506845,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,268.05803,[M+Na]+,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506846,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,268.05803,[M+Na]+,60.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506847,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,268.05803,[M+Na]+,30.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506848,Cc1c(NC(=O)c2ccco2)cc(C(=O)O)cc1,268.05803,[M+Na]+,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1
506849,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,246.07608,[M+H]+,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506850,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,246.07608,[M+H]+,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506851,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,246.07608,[M+H]+,60.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506852,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,246.07608,[M+H]+,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506853,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,246.07608,[M+H]+,45.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506854,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,246.07608,[M+H]+,60.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506855,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,246.07608,[M+H]+,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506856,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,268.05803,[M+Na]+,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506857,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,268.05803,[M+Na]+,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506858,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,268.05803,[M+Na]+,60.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506859,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,268.05803,[M+Na]+,30.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506860,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1,268.05803,[M+Na]+,20.0,test,COc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1
506861,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,228.06552,[M+H-H2O]+,20.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506862,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,228.06552,[M+H-H2O]+,20.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506863,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,228.06552,[M+H-H2O]+,60.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506864,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,228.06552,[M+H-H2O]+,20.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506865,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,228.06552,[M+H-H2O]+,45.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506866,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,228.06552,[M+H-H2O]+,60.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506867,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,228.06552,[M+H-H2O]+,20.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506868,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,228.06552,[M+H-H2O]+,45.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506869,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,246.07608,[M+H]+,20.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506870,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,246.07608,[M+H]+,20.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506871,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,246.07608,[M+H]+,60.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506872,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,246.07608,[M+H]+,30.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506873,O=C(O)c1c[nH]cc1-c1cc2c(cc1)OCCO2,246.07608,[M+H]+,20.0,test,O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2
506874,COc1ccccc1-n1cc(C(=O)O)ccc1=O,246.07608,[M+H]+,20.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506875,COc1ccccc1-n1cc(C(=O)O)ccc1=O,246.07608,[M+H]+,20.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506876,COc1ccccc1-n1cc(C(=O)O)ccc1=O,246.07608,[M+H]+,60.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506877,COc1ccccc1-n1cc(C(=O)O)ccc1=O,246.07608,[M+H]+,20.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506878,COc1ccccc1-n1cc(C(=O)O)ccc1=O,246.07608,[M+H]+,45.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506879,COc1ccccc1-n1cc(C(=O)O)ccc1=O,246.07608,[M+H]+,60.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506880,COc1ccccc1-n1cc(C(=O)O)ccc1=O,246.07608,[M+H]+,20.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506881,COc1ccccc1-n1cc(C(=O)O)ccc1=O,246.07608,[M+H]+,45.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506882,COc1ccccc1-n1cc(C(=O)O)ccc1=O,268.05803,[M+Na]+,30.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506883,COc1ccccc1-n1cc(C(=O)O)ccc1=O,268.05803,[M+Na]+,20.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506884,COc1ccccc1-n1cc(C(=O)O)ccc1=O,268.05803,[M+Na]+,60.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506885,COc1ccccc1-n1cc(C(=O)O)ccc1=O,268.05803,[M+Na]+,30.0,test,COc1ccccc1-n1cc(C(=O)O)ccc1=O
506886,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,228.06552,[M+H-H2O]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506887,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,228.06552,[M+H-H2O]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506888,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,228.06552,[M+H-H2O]+,60.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506889,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,228.06552,[M+H-H2O]+,30.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506890,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,228.06552,[M+H-H2O]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506891,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,228.06552,[M+H-H2O]+,60.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506892,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,228.06552,[M+H-H2O]+,30.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506893,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,228.06552,[M+H-H2O]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506894,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,246.07608,[M+H]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506895,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,246.07608,[M+H]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506896,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,246.07608,[M+H]+,60.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506897,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,246.07608,[M+H]+,15.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506898,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,246.07608,[M+H]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506899,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,246.07608,[M+H]+,60.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506900,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,246.07608,[M+H]+,15.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506901,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,246.07608,[M+H]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506902,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,268.05803,[M+Na]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506903,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,268.05803,[M+Na]+,60.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506904,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,268.05803,[M+Na]+,30.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506905,Cc1c(NC(=O)c2ccco2)c(C(=O)O)ccc1,268.05803,[M+Na]+,20.0,test,Cc1cccc(C(=O)O)c1NC(=O)c1ccco1
506906,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1,308.00567,[M-H]-,20.0,test,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1
506907,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1,308.00567,[M-H]-,20.0,test,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1
506908,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1,308.00567,[M-H]-,60.0,test,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1
506909,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1,308.00567,[M-H]-,15.0,test,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1
506910,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1,308.00567,[M-H]-,20.0,test,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1
506911,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1,308.00567,[M-H]-,60.0,test,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1
506912,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1,308.00567,[M-H]-,15.0,test,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1
506913,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1,308.00567,[M-H]-,20.0,test,O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cs1
506914,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1,308.00567,[M-H]-,20.0,test,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1
506915,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1,308.00567,[M-H]-,20.0,test,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1
506916,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1,308.00567,[M-H]-,60.0,test,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1
506917,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1,308.00567,[M-H]-,15.0,test,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1
506918,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1,308.00567,[M-H]-,20.0,test,O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1
506919,Cc1cc2c(nc(C)n(NC(=O)c3nn(C)cc3Br)c2=O)s1,381.99678,[M+H]+,20.0,test,Cc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1
506920,Cc1cc2c(nc(C)n(NC(=O)c3nn(C)cc3Br)c2=O)s1,381.99678,[M+H]+,20.0,test,Cc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1
506921,Cc1cc2c(nc(C)n(NC(=O)c3nn(C)cc3Br)c2=O)s1,381.99678,[M+H]+,60.0,test,Cc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1
506922,Cc1cc2c(nc(C)n(NC(=O)c3nn(C)cc3Br)c2=O)s1,381.99678,[M+H]+,30.0,test,Cc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1
506923,Cc1cc2c(nc(C)n(NC(=O)c3nn(C)cc3Br)c2=O)s1,381.99678,[M+H]+,20.0,test,Cc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1
506924,Cc1c(NS(=O)(=O)c2ccccc2)ccc(Br)c1,323.96994,[M-H]-,20.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1
506925,Cc1c(NS(=O)(=O)c2ccccc2)ccc(Br)c1,323.96994,[M-H]-,20.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1
506926,Cc1c(NS(=O)(=O)c2ccccc2)ccc(Br)c1,323.96994,[M-H]-,60.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1
506927,Cc1c(NS(=O)(=O)c2ccccc2)ccc(Br)c1,323.96994,[M-H]-,20.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1
506928,Cc1c(NS(=O)(=O)c2ccccc2)ccc(Br)c1,323.96994,[M-H]-,45.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1
506929,COc1ccc(Br)cc1C(=O)NCc1cccs1,325.98449,[M+H]+,15.0,test,COc1ccc(Br)cc1C(=O)NCc1cccs1
506930,COc1ccc(Br)cc1C(=O)NCc1cccs1,325.98449,[M+H]+,15.0,test,COc1ccc(Br)cc1C(=O)NCc1cccs1
506931,COc1ccc(Br)cc1C(=O)NCc1cccs1,325.98449,[M+H]+,20.0,test,COc1ccc(Br)cc1C(=O)NCc1cccs1
506932,COc1ccc(Br)cc1C(=O)NCc1cccs1,325.98449,[M+H]+,60.0,test,COc1ccc(Br)cc1C(=O)NCc1cccs1
506933,COc1ccc(Br)cc1C(=O)NCc1cccs1,325.98449,[M+H]+,15.0,test,COc1ccc(Br)cc1C(=O)NCc1cccs1
506934,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1,325.98449,[M+H]+,15.0,test,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1
506935,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1,325.98449,[M+H]+,15.0,test,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1
506936,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1,325.98449,[M+H]+,20.0,test,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1
506937,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1,325.98449,[M+H]+,60.0,test,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1
506938,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1,325.98449,[M+H]+,15.0,test,COc1ccc(Br)c(C(=O)NCc2ccsc2)c1
506939,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1,325.98449,[M+H]+,20.0,test,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1
506940,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1,325.98449,[M+H]+,20.0,test,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1
506941,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1,325.98449,[M+H]+,60.0,test,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1
506942,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1,325.98449,[M+H]+,30.0,test,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1
506943,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1,325.98449,[M+H]+,20.0,test,O=C(NCC1(c2ccsc2)CC1)c1ccc(Br)o1
506944,O=C(NCC(O)c1ccoc1)c1ccccc1Br,307.99278,[M-H]-,20.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506945,O=C(NCC(O)c1ccoc1)c1ccccc1Br,307.99278,[M-H]-,20.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506946,O=C(NCC(O)c1ccoc1)c1ccccc1Br,307.99278,[M-H]-,60.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506947,O=C(NCC(O)c1ccoc1)c1ccccc1Br,307.99278,[M-H]-,30.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506948,O=C(NCC(O)c1ccoc1)c1ccccc1Br,307.99278,[M-H]-,20.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506949,COc1ccccc1CNC(=O)c1ccc(Br)o1,310.00733,[M+H]+,20.0,test,COc1ccccc1CNC(=O)c1ccc(Br)o1
506950,COc1ccccc1CNC(=O)c1ccc(Br)o1,310.00733,[M+H]+,20.0,test,COc1ccccc1CNC(=O)c1ccc(Br)o1
506951,COc1ccccc1CNC(=O)c1ccc(Br)o1,310.00733,[M+H]+,60.0,test,COc1ccccc1CNC(=O)c1ccc(Br)o1
506952,COc1ccccc1CNC(=O)c1ccc(Br)o1,310.00733,[M+H]+,15.0,test,COc1ccccc1CNC(=O)c1ccc(Br)o1
506953,COc1ccccc1CNC(=O)c1ccc(Br)o1,310.00733,[M+H]+,20.0,test,COc1ccccc1CNC(=O)c1ccc(Br)o1
506954,O=C(NCC(O)c1ccoc1)c1ccccc1Br,291.99677,[M+H-H2O]+,30.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506955,O=C(NCC(O)c1ccoc1)c1ccccc1Br,291.99677,[M+H-H2O]+,30.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506956,O=C(NCC(O)c1ccoc1)c1ccccc1Br,291.99677,[M+H-H2O]+,20.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506957,O=C(NCC(O)c1ccoc1)c1ccccc1Br,291.99677,[M+H-H2O]+,60.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506958,O=C(NCC(O)c1ccoc1)c1ccccc1Br,291.99677,[M+H-H2O]+,30.0,test,O=C(NCC(O)c1ccoc1)c1ccccc1Br
506959,CCOC(=O)c1c(Nc2c(Cl)ccc(Cl)c2)snc1C,331.00693,[M+H]+,30.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506960,CCOC(=O)c1c(Nc2c(Cl)ccc(Cl)c2)snc1C,331.00693,[M+H]+,30.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506961,CCOC(=O)c1c(Nc2c(Cl)ccc(Cl)c2)snc1C,331.00693,[M+H]+,20.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506962,CCOC(=O)c1c(Nc2c(Cl)ccc(Cl)c2)snc1C,331.00693,[M+H]+,60.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506963,CCOC(=O)c1c(Nc2c(Cl)ccc(Cl)c2)snc1C,331.00693,[M+H]+,30.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506964,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,328.99238,[M-H]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506965,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,328.99238,[M-H]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506966,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,328.99238,[M-H]-,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506967,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,328.99238,[M-H]-,15.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506968,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,328.99238,[M-H]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506969,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1,328.99238,[M-H]-,20.0,test,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
506970,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1,328.99238,[M-H]-,20.0,test,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
506971,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1,328.99238,[M-H]-,45.0,test,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
506972,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1,328.99238,[M-H]-,60.0,test,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
506973,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1,328.99238,[M-H]-,20.0,test,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
506974,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1,328.99238,[M-H]-,20.0,test,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
506975,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1,328.99238,[M-H]-,45.0,test,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
506976,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1,328.99238,[M-H]-,60.0,test,Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
506977,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl,331.00693,[M+H]+,20.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506978,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl,331.00693,[M+H]+,20.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506979,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl,331.00693,[M+H]+,60.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506980,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl,331.00693,[M+H]+,30.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506981,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl,331.00693,[M+H]+,20.0,test,CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl
506982,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C,331.00693,[M+H]+,20.0,test,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C
506983,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C,331.00693,[M+H]+,20.0,test,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C
506984,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C,331.00693,[M+H]+,60.0,test,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C
506985,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C,331.00693,[M+H]+,30.0,test,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C
506986,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C,331.00693,[M+H]+,20.0,test,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C
506987,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C,331.00693,[M+H]+,30.0,test,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C
506988,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C,331.00693,[M+H]+,20.0,test,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C
506989,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C,331.00693,[M+H]+,60.0,test,Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C
506990,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,331.00693,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506991,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,331.00693,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506992,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,331.00693,[M+H]+,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506993,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,331.00693,[M+H]+,30.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506994,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,331.00693,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506995,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,331.00693,[M+H]+,30.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506996,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,331.00693,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506997,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1,331.00693,[M+H]+,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1
506998,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,344.98729,[M-H]-,20.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
506999,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,344.98729,[M-H]-,60.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507000,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,344.98729,[M-H]-,30.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507001,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,344.98729,[M-H]-,20.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507002,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,347.00185,[M+H]+,20.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507003,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,347.00185,[M+H]+,20.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507004,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,347.00185,[M+H]+,45.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507005,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,347.00185,[M+H]+,60.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507006,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,347.00185,[M+H]+,20.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507007,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,347.00185,[M+H]+,60.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507008,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,347.00185,[M+H]+,45.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507009,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl,347.00185,[M+H]+,20.0,test,COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
507010,C=C(CC)C(=O)c1c(Cl)c(Cl)c(OCC(=O)O)cc1,301.00399,[M-H]-,20.0,test,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
507011,C=C(CC)C(=O)c1c(Cl)c(Cl)c(OCC(=O)O)cc1,301.00399,[M-H]-,20.0,test,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
507012,C=C(CC)C(=O)c1c(Cl)c(Cl)c(OCC(=O)O)cc1,301.00399,[M-H]-,60.0,test,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
507013,C=C(CC)C(=O)c1c(Cl)c(Cl)c(OCC(=O)O)cc1,301.00399,[M-H]-,15.0,test,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
507014,C=C(CC)C(=O)c1c(Cl)c(Cl)c(OCC(=O)O)cc1,301.00399,[M-H]-,20.0,test,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
507015,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,347.05281,[M-H]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507016,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,347.05281,[M-H]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507017,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,347.05281,[M-H]-,60.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507018,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,347.05281,[M-H]-,30.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507019,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,347.05281,[M-H]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507020,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,347.05281,[M-H]-,30.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507021,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,347.05281,[M-H]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507022,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,347.05281,[M-H]-,60.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507023,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,383.02949,[M+Cl]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507024,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,383.02949,[M+Cl]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507025,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,383.02949,[M+Cl]-,60.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507026,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,383.02949,[M+Cl]-,15.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507027,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,383.02949,[M+Cl]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507028,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,393.05829,[M+FA]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507029,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,393.05829,[M+FA]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507030,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,393.05829,[M+FA]-,60.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507031,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,393.05829,[M+FA]-,15.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507032,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl,393.05829,[M+FA]-,20.0,test,Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1Cl
507033,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O,349.06736,[M+H]+,20.0,test,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O
507034,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O,349.06736,[M+H]+,20.0,test,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O
507035,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O,349.06736,[M+H]+,60.0,test,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O
507036,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O,349.06736,[M+H]+,30.0,test,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O
507037,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O,349.06736,[M+H]+,20.0,test,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O
507038,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O,349.06736,[M+H]+,60.0,test,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O
507039,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O,349.06736,[M+H]+,30.0,test,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O
507040,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O,349.06736,[M+H]+,20.0,test,Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O
507041,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,325.03316,[M-H]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507042,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,325.03316,[M-H]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507043,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,325.03316,[M-H]-,60.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507044,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,325.03316,[M-H]-,30.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507045,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,325.03316,[M-H]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507046,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,325.03316,[M-H]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507047,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,325.03316,[M-H]-,30.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507048,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,325.03316,[M-H]-,60.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507049,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,361.00984,[M+Cl]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507050,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,361.00984,[M+Cl]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507051,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,361.00984,[M+Cl]-,60.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507052,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,327.04771,[M+H]+,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507053,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,327.04771,[M+H]+,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507054,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,327.04771,[M+H]+,45.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507055,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,327.04771,[M+H]+,60.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507056,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,327.04771,[M+H]+,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507057,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,327.04771,[M+H]+,45.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507058,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,327.04771,[M+H]+,20.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507059,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1,327.04771,[M+H]+,60.0,test,Cc1nnc(N2CC(NC(=O)c3cc(F)cc(Cl)c3)C2)s1
507060,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,324.02151,[M-H]-,20.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507061,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,324.02151,[M-H]-,60.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507062,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,324.02151,[M-H]-,15.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507063,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,324.02151,[M-H]-,20.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507064,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,326.03607,[M+H]+,20.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507065,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,326.03607,[M+H]+,20.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507066,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,326.03607,[M+H]+,60.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507067,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,326.03607,[M+H]+,15.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507068,COc1c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc(Cl)cc1,326.03607,[M+H]+,20.0,test,COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
507069,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,324.02151,[M-H]-,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507070,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,324.02151,[M-H]-,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507071,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,324.02151,[M-H]-,60.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507072,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,324.02151,[M-H]-,30.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507073,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,324.02151,[M-H]-,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507074,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,324.02151,[M-H]-,30.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507075,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,324.02151,[M-H]-,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507076,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,324.02151,[M-H]-,60.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507077,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,359.99819,[M+Cl]-,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507078,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,359.99819,[M+Cl]-,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507079,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,359.99819,[M+Cl]-,60.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507080,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,359.99819,[M+Cl]-,15.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507081,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,359.99819,[M+Cl]-,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507082,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,324.02151,[M-H]-,20.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507083,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,324.02151,[M-H]-,20.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507084,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,324.02151,[M-H]-,60.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507085,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,324.02151,[M-H]-,30.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507086,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,324.02151,[M-H]-,20.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507087,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,324.02151,[M-H]-,30.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507088,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,324.02151,[M-H]-,20.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507089,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,324.02151,[M-H]-,60.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507090,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,326.03607,[M+H]+,20.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507091,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,326.03607,[M+H]+,20.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507092,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,326.03607,[M+H]+,60.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507093,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,326.03607,[M+H]+,30.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507094,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1,326.03607,[M+H]+,20.0,test,C/C(=N\NC1=NC(=O)C(CC(=O)O)S1)c1ccc(Cl)cc1
507095,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,326.03607,[M+H]+,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507096,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,326.03607,[M+H]+,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507097,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,326.03607,[M+H]+,30.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507098,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,326.03607,[M+H]+,60.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507099,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1,326.03607,[M+H]+,20.0,test,O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1
507100,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,243.07752,[M-H]-,20.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507101,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,243.07752,[M-H]-,20.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507102,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,243.07752,[M-H]-,60.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507103,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,243.07752,[M-H]-,30.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507104,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,243.07752,[M-H]-,20.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507105,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,243.07752,[M-H]-,60.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507106,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,243.07752,[M-H]-,30.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507107,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,243.07752,[M-H]-,20.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507108,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,243.07752,[M-H]-,20.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507109,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,243.07752,[M-H]-,20.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507110,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,243.07752,[M-H]-,60.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507111,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,243.07752,[M-H]-,15.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507112,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,243.07752,[M-H]-,20.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507113,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,227.08151,[M+H-H2O]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507114,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,227.08151,[M+H-H2O]+,60.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507115,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,227.08151,[M+H-H2O]+,30.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507116,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,227.08151,[M+H-H2O]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507117,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,245.09207,[M+H]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507118,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,245.09207,[M+H]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507119,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,245.09207,[M+H]+,60.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507120,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,245.09207,[M+H]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507121,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,245.09207,[M+H]+,60.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507122,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,245.09207,[M+H]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507123,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,267.07401,[M+Na]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507124,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,267.07401,[M+Na]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507125,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,267.07401,[M+Na]+,60.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507126,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,267.07401,[M+Na]+,30.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507127,O=C(O)c1c2COCCn2c(-c2ccccc2)n1,267.07401,[M+Na]+,20.0,test,O=C(O)c1nc(-c2ccccc2)n2c1COCC2
507128,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,245.09207,[M+H]+,20.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507129,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,245.09207,[M+H]+,20.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507130,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,245.09207,[M+H]+,60.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507131,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,245.09207,[M+H]+,30.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507132,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1,245.09207,[M+H]+,20.0,test,N#Cc1cccc(CN2C(=O)CCC2C(=O)O)c1
507133,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,245.09207,[M+H]+,20.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507134,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,245.09207,[M+H]+,20.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507135,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,245.09207,[M+H]+,60.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507136,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,245.09207,[M+H]+,30.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507137,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,245.09207,[M+H]+,20.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507138,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,245.09207,[M+H]+,60.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507139,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,245.09207,[M+H]+,30.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507140,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12,245.09207,[M+H]+,20.0,test,Cc1cc(C(=O)NCC(=O)O)nc2ccccc12
507141,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12,441.02164,[M+H]+,20.0,test,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12
507142,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12,441.02164,[M+H]+,20.0,test,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12
507143,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12,441.02164,[M+H]+,60.0,test,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12
507144,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12,441.02164,[M+H]+,15.0,test,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12
507145,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12,441.02164,[M+H]+,20.0,test,O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12
507146,CC(=O)N(Cc1c(Br)ccc(F)c1)c1cn(C)nc1,326.02988,[M+H]+,20.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507147,CC(=O)N(Cc1c(Br)ccc(F)c1)c1cn(C)nc1,326.02988,[M+H]+,20.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507148,CC(=O)N(Cc1c(Br)ccc(F)c1)c1cn(C)nc1,326.02988,[M+H]+,60.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507149,CC(=O)N(Cc1c(Br)ccc(F)c1)c1cn(C)nc1,326.02988,[M+H]+,30.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507150,CC(=O)N(Cc1c(Br)ccc(F)c1)c1cn(C)nc1,326.02988,[M+H]+,20.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507151,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1,326.02988,[M+H]+,20.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507152,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1,326.02988,[M+H]+,20.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507153,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1,326.02988,[M+H]+,60.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507154,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1,326.02988,[M+H]+,30.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507155,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1,326.02988,[M+H]+,20.0,test,CC(=O)N(Cc1cc(F)ccc1Br)c1cnn(C)c1
507156,SC(=NCCc1ccccn1)Nc1ncc(Br)cc1,337.01171,[M+H]+,20.0,test,SC(=NCCc1ccccn1)Nc1ccc(Br)cn1
507157,SC(=NCCc1ccccn1)Nc1ncc(Br)cc1,337.01171,[M+H]+,20.0,test,SC(=NCCc1ccccn1)Nc1ccc(Br)cn1
507158,SC(=NCCc1ccccn1)Nc1ncc(Br)cc1,337.01171,[M+H]+,60.0,test,SC(=NCCc1ccccn1)Nc1ccc(Br)cn1
507159,SC(=NCCc1ccccn1)Nc1ncc(Br)cc1,337.01171,[M+H]+,15.0,test,SC(=NCCc1ccccn1)Nc1ccc(Br)cn1
507160,SC(=NCCc1ccccn1)Nc1ncc(Br)cc1,337.01171,[M+H]+,20.0,test,SC(=NCCc1ccccn1)Nc1ccc(Br)cn1
507161,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,312.03121,[M-H]-,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507162,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,312.03121,[M-H]-,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507163,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,312.03121,[M-H]-,60.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507164,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,312.03121,[M-H]-,30.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507165,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,312.03121,[M-H]-,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507166,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,312.03121,[M-H]-,30.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507167,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,312.03121,[M-H]-,60.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507168,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,312.03121,[M-H]-,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507169,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,348.00788,[M+Cl]-,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507170,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,348.00788,[M+Cl]-,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507171,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,348.00788,[M+Cl]-,60.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507172,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,348.00788,[M+Cl]-,15.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507173,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,348.00788,[M+Cl]-,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507174,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,314.04576,[M+H]+,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507175,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,314.04576,[M+H]+,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507176,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,314.04576,[M+H]+,60.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507177,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,314.04576,[M+H]+,30.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507178,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,314.04576,[M+H]+,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507179,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,314.04576,[M+H]+,20.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507180,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,314.04576,[M+H]+,30.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507181,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1,314.04576,[M+H]+,60.0,test,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1
507182,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N,295.03135,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N
507183,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N,295.03135,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N
507184,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N,295.03135,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N
507185,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N,295.03135,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N
507186,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N,295.03135,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N
507187,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N,295.03135,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N
507188,O=C(NCc1cccs1)N1CCc2c(cc(Cl)s2)C1,313.02306,[M+H]+,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507189,O=C(NCc1cccs1)N1CCc2c(cc(Cl)s2)C1,313.02306,[M+H]+,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507190,O=C(NCc1cccs1)N1CCc2c(cc(Cl)s2)C1,313.02306,[M+H]+,60.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507191,O=C(NCc1cccs1)N1CCc2c(cc(Cl)s2)C1,313.02306,[M+H]+,15.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507192,O=C(NCc1cccs1)N1CCc2c(cc(Cl)s2)C1,313.02306,[M+H]+,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507193,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,311.00851,[M-H]-,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507194,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,311.00851,[M-H]-,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507195,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,311.00851,[M-H]-,60.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507196,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,311.00851,[M-H]-,30.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507197,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,311.00851,[M-H]-,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507198,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,311.00851,[M-H]-,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507199,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,311.00851,[M-H]-,30.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507200,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,311.00851,[M-H]-,60.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507201,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,346.98518,[M+Cl]-,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507202,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,346.98518,[M+Cl]-,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507203,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,346.98518,[M+Cl]-,60.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507204,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,346.98518,[M+Cl]-,15.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507205,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,346.98518,[M+Cl]-,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507206,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,357.01399,[M+FA]-,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507207,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,357.01399,[M+FA]-,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507208,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,357.01399,[M+FA]-,60.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507209,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,357.01399,[M+FA]-,15.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507210,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,357.01399,[M+FA]-,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507211,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,313.02306,[M+H]+,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507212,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,313.02306,[M+H]+,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507213,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,313.02306,[M+H]+,60.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507214,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,313.02306,[M+H]+,30.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507215,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C,313.02306,[M+H]+,20.0,test,CCc1c(C(=O)N/N=C/c2ccc(Cl)s2)csc1C
507216,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,313.02306,[M+H]+,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507217,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,313.02306,[M+H]+,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507218,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,313.02306,[M+H]+,60.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507219,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,313.02306,[M+H]+,15.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507220,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1,313.02306,[M+H]+,20.0,test,O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1
507221,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,318.08711,[M-H]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507222,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,318.08711,[M-H]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507223,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,318.08711,[M-H]-,60.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507224,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,318.08711,[M-H]-,30.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507225,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,318.08711,[M-H]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507226,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,318.08711,[M-H]-,30.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507227,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,318.08711,[M-H]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507228,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,318.08711,[M-H]-,60.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507229,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,354.06379,[M+Cl]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507230,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,354.06379,[M+Cl]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507231,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,354.06379,[M+Cl]-,60.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507232,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,354.06379,[M+Cl]-,15.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507233,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,364.09259,[M+FA]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507234,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,364.09259,[M+FA]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507235,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,364.09259,[M+FA]-,60.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507236,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,364.09259,[M+FA]-,15.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507237,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,364.09259,[M+FA]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507238,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,364.09259,[M+FA]-,15.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507239,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,364.09259,[M+FA]-,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507240,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,364.09259,[M+FA]-,60.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507241,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,320.10167,[M+H]+,15.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507242,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,320.10167,[M+H]+,15.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507243,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,320.10167,[M+H]+,20.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507244,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,320.10167,[M+H]+,60.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507245,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F,320.10167,[M+H]+,15.0,test,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F
507246,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507247,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507248,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507249,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,30.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507250,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507251,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,382.02854,[M-H]-,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507252,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,382.02854,[M-H]-,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507253,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,382.02854,[M-H]-,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507254,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,382.02854,[M-H]-,15.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507255,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,382.02854,[M-H]-,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507256,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507257,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507258,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507259,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,30.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507260,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507261,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507262,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,30.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507263,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,384.04309,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
507264,CNc1nc(-c2nc(-c3csc(NC)n3)ccc2)cs1,304.06851,[M+H]+,20.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507265,CNc1nc(-c2nc(-c3csc(NC)n3)ccc2)cs1,304.06851,[M+H]+,20.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507266,CNc1nc(-c2nc(-c3csc(NC)n3)ccc2)cs1,304.06851,[M+H]+,60.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507267,CNc1nc(-c2nc(-c3csc(NC)n3)ccc2)cs1,304.06851,[M+H]+,20.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507268,CNc1nc(-c2nc(-c3csc(NC)n3)ccc2)cs1,304.06851,[M+H]+,60.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507269,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,304.06851,[M+H]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507270,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,304.06851,[M+H]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507271,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,304.06851,[M+H]+,60.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507272,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,304.06851,[M+H]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507273,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,304.06851,[M+H]+,45.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507274,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,304.06851,[M+H]+,60.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507275,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,304.06851,[M+H]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507276,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,304.06851,[M+H]+,45.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507277,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,326.05045,[M+Na]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507278,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,326.05045,[M+Na]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507279,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,326.05045,[M+Na]+,60.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507280,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,326.05045,[M+Na]+,30.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507281,CSc1c2nc(N3CC(n4nccn4)C3)sc2ccc1,326.05045,[M+Na]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507282,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1,304.06851,[M+H]+,20.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507283,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1,304.06851,[M+H]+,20.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507284,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1,304.06851,[M+H]+,45.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507285,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1,304.06851,[M+H]+,60.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507286,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1,304.06851,[M+H]+,20.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507287,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1,304.06851,[M+H]+,60.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507288,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1,304.06851,[M+H]+,20.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507289,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1,304.06851,[M+H]+,45.0,test,CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1
507290,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12,304.06851,[M+H]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507291,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12,304.06851,[M+H]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507292,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12,304.06851,[M+H]+,45.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507293,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12,304.06851,[M+H]+,60.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507294,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12,304.06851,[M+H]+,20.0,test,CSc1cccc2sc(N3CC(n4nccn4)C3)nc12
507295,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1,402.96366,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
507296,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1,402.96366,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
507297,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1,402.96366,[M-H]-,60.0,test,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
507298,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1,402.96366,[M-H]-,30.0,test,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
507299,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1,402.96366,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
507300,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1,402.96366,[M-H]-,60.0,test,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
507301,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1,402.96366,[M-H]-,30.0,test,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
507302,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1,402.96366,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
507303,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1,324.01646,[M+H]+,20.0,test,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1
507304,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1,324.01646,[M+H]+,20.0,test,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1
507305,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1,324.01646,[M+H]+,45.0,test,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1
507306,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1,324.01646,[M+H]+,60.0,test,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1
507307,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1,324.01646,[M+H]+,20.0,test,Brc1cnc(N2CCC(c3ccsc3)CC2)nc1
507308,O=C(c1nn2cc(Br)cnc2n1)N1CCOCC12CCOC2,368.03528,[M+H]+,20.0,test,O=C(c1nc2ncc(Br)cn2n1)N1CCOCC12CCOC2
507309,O=C(c1nn2cc(Br)cnc2n1)N1CCOCC12CCOC2,368.03528,[M+H]+,20.0,test,O=C(c1nc2ncc(Br)cn2n1)N1CCOCC12CCOC2
507310,O=C(c1nn2cc(Br)cnc2n1)N1CCOCC12CCOC2,368.03528,[M+H]+,60.0,test,O=C(c1nc2ncc(Br)cn2n1)N1CCOCC12CCOC2
507311,O=C(c1nn2cc(Br)cnc2n1)N1CCOCC12CCOC2,368.03528,[M+H]+,20.0,test,O=C(c1nc2ncc(Br)cn2n1)N1CCOCC12CCOC2
507312,O=C(c1nn2cc(Br)cnc2n1)N1CCOCC12CCOC2,368.03528,[M+H]+,45.0,test,O=C(c1nc2ncc(Br)cn2n1)N1CCOCC12CCOC2
507313,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,364.0095,[M-H]-,20.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507314,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,364.0095,[M-H]-,20.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507315,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,364.0095,[M-H]-,60.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507316,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,364.0095,[M-H]-,30.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507317,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,364.0095,[M-H]-,20.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507318,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,364.0095,[M-H]-,60.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507319,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,364.0095,[M-H]-,30.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507320,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,364.0095,[M-H]-,20.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507321,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,366.02406,[M+H]+,20.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507322,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,366.02406,[M+H]+,20.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507323,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,366.02406,[M+H]+,60.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507324,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,366.02406,[M+H]+,30.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507325,Cc1c(S(=O)(=O)NC(C)c2cc(F)c(Cl)cc2Cl)n(C)nc1,366.02406,[M+H]+,20.0,test,Cc1cnn(C)c1S(=O)(=O)NC(C)c1cc(F)c(Cl)cc1Cl
507326,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,326.03716,[M-H]-,20.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507327,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,326.03716,[M-H]-,20.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507328,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,326.03716,[M-H]-,60.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507329,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,326.03716,[M-H]-,30.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507330,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,326.03716,[M-H]-,20.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507331,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,326.03716,[M-H]-,60.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507332,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,326.03716,[M-H]-,30.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507333,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,326.03716,[M-H]-,20.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507334,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,328.05172,[M+H]+,20.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507335,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,328.05172,[M+H]+,20.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507336,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,328.05172,[M+H]+,60.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507337,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,328.05172,[M+H]+,30.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507338,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2c1cc(Cl)cc2,328.05172,[M+H]+,20.0,test,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(Cl)cc21
507339,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12,304.1072,[M+H]+,20.0,test,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12
507340,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12,304.1072,[M+H]+,20.0,test,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12
507341,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12,304.1072,[M+H]+,45.0,test,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12
507342,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12,304.1072,[M+H]+,60.0,test,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12
507343,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12,304.1072,[M+H]+,20.0,test,Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12
507344,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,330.00309,[M-H]-,20.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507345,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,330.00309,[M-H]-,20.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507346,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,330.00309,[M-H]-,60.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507347,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,330.00309,[M-H]-,30.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507348,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,330.00309,[M-H]-,20.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507349,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,330.00309,[M-H]-,60.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507350,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,330.00309,[M-H]-,30.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507351,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,330.00309,[M-H]-,20.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507352,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,365.97976,[M+Cl]-,20.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507353,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,365.97976,[M+Cl]-,20.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507354,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,365.97976,[M+Cl]-,60.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507355,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,365.97976,[M+Cl]-,15.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507356,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1,365.97976,[M+Cl]-,20.0,test,O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1
507357,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,359.06311,[M-H]-,20.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507358,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,359.06311,[M-H]-,20.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507359,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,359.06311,[M-H]-,60.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507360,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,359.06311,[M-H]-,30.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507361,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,359.06311,[M-H]-,20.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507362,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,359.06311,[M-H]-,60.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507363,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,359.06311,[M-H]-,30.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507364,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,359.06311,[M-H]-,20.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507365,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,361.07766,[M+H]+,20.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507366,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,361.07766,[M+H]+,20.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507367,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,361.07766,[M+H]+,60.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507368,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,361.07766,[M+H]+,30.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507369,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1,361.07766,[M+H]+,20.0,test,CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1
507370,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1,286.11617,[M+H]+,20.0,test,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1
507371,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1,286.11617,[M+H]+,20.0,test,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1
507372,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1,286.11617,[M+H]+,60.0,test,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1
507373,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1,286.11617,[M+H]+,15.0,test,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1
507374,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1,286.11617,[M+H]+,20.0,test,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1
507375,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1,286.11617,[M+H]+,45.0,test,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1
507376,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1,286.11617,[M+H]+,60.0,test,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1
507377,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1,286.11617,[M+H]+,20.0,test,Nc1cc2c(cc1N)C1CC2CN(C(=O)C(F)(F)F)C1
507378,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1,302.11109,[M+H]+,20.0,test,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1
507379,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1,302.11109,[M+H]+,20.0,test,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1
507380,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1,302.11109,[M+H]+,60.0,test,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1
507381,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1,302.11109,[M+H]+,20.0,test,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1
507382,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1,302.11109,[M+H]+,45.0,test,O=C1OCCN1C1CCN(c2cccc(C(F)(F)F)n2)C1
507383,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,272.09039,[M-H]-,20.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507384,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,272.09039,[M-H]-,20.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507385,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,272.09039,[M-H]-,60.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507386,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,272.09039,[M-H]-,30.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507387,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,272.09039,[M-H]-,20.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507388,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,272.09039,[M-H]-,20.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507389,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,272.09039,[M-H]-,30.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507390,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,272.09039,[M-H]-,60.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507391,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,274.10494,[M+H]+,20.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507392,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,274.10494,[M+H]+,20.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507393,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,274.10494,[M+H]+,60.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507394,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,274.10494,[M+H]+,30.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507395,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,274.10494,[M+H]+,20.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507396,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,274.10494,[M+H]+,60.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507397,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,274.10494,[M+H]+,30.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507398,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F,274.10494,[M+H]+,20.0,test,O=C(O)C1CN(Cc2ccccc2)CC1C(F)(F)F
507399,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,274.11096,[M-H]-,20.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507400,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,274.11096,[M-H]-,20.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507401,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,274.11096,[M-H]-,60.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507402,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,274.11096,[M-H]-,20.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507403,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,274.11096,[M-H]-,45.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507404,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,274.11096,[M-H]-,60.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507405,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,274.11096,[M-H]-,20.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507406,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,274.11096,[M-H]-,45.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507407,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,276.12551,[M+H]+,20.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507408,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,276.12551,[M+H]+,20.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507409,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,276.12551,[M+H]+,60.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507410,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,276.12551,[M+H]+,15.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507411,O=C(c1n[nH]nc1)N1CCN(c2ccc(F)cc2)CC1,276.12551,[M+H]+,20.0,test,O=C(c1cn[nH]n1)N1CCN(c2ccc(F)cc2)CC1
507412,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,370.0058,[M-H]-,20.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507413,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,370.0058,[M-H]-,20.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507414,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,370.0058,[M-H]-,60.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507415,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,370.0058,[M-H]-,15.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507416,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,370.0058,[M-H]-,20.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507417,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,372.02035,[M+H]+,20.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507418,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,372.02035,[M+H]+,20.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507419,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,372.02035,[M+H]+,60.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507420,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,372.02035,[M+H]+,15.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507421,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1,372.02035,[M+H]+,20.0,test,CC1=NNC(=O)C(CC(=O)Nc2ccc(I)cc2)C1
507422,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,293.06015,[M-H]-,20.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507423,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,293.06015,[M-H]-,20.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507424,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,293.06015,[M-H]-,60.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507425,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,293.06015,[M-H]-,30.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507426,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,293.06015,[M-H]-,20.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507427,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3,295.0747,[M+H]+,20.0,test,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
507428,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3,295.0747,[M+H]+,20.0,test,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
507429,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3,295.0747,[M+H]+,60.0,test,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
507430,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3,295.0747,[M+H]+,30.0,test,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
507431,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3,295.0747,[M+H]+,20.0,test,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
507432,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3,295.0747,[M+H]+,60.0,test,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
507433,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3,295.0747,[M+H]+,30.0,test,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
507434,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3,295.0747,[M+H]+,20.0,test,CO[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
507435,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,295.0747,[M+H]+,20.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507436,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,295.0747,[M+H]+,20.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507437,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,295.0747,[M+H]+,30.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507438,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,295.0747,[M+H]+,60.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507439,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,295.0747,[M+H]+,20.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507440,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,295.0747,[M+H]+,45.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507441,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,295.0747,[M+H]+,60.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507442,Cc1c(C(=O)N(C)C(C)C(=O)O)nc(-c2ccco2)s1,295.0747,[M+H]+,20.0,test,Cc1sc(-c2ccco2)nc1C(=O)N(C)C(C)C(=O)O
507443,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,273.09931,[M-H]-,20.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507444,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,273.09931,[M-H]-,20.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507445,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,273.09931,[M-H]-,60.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507446,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,273.09931,[M-H]-,30.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507447,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,273.09931,[M-H]-,20.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507448,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,275.11387,[M+H]+,20.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507449,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,275.11387,[M+H]+,20.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507450,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,275.11387,[M+H]+,60.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507451,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,275.11387,[M+H]+,15.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507452,COc1cc(C(=O)N2CCn3cnnc3C2)c(O)cc1,275.11387,[M+H]+,20.0,test,COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
507453,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,273.09931,[M-H]-,20.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507454,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,273.09931,[M-H]-,20.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507455,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,273.09931,[M-H]-,60.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507456,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,273.09931,[M-H]-,30.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507457,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,273.09931,[M-H]-,20.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507458,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,275.11387,[M+H]+,20.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507459,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,275.11387,[M+H]+,20.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507460,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,275.11387,[M+H]+,60.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507461,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,275.11387,[M+H]+,30.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507462,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,275.11387,[M+H]+,20.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507463,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,275.11387,[M+H]+,60.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507464,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,275.11387,[M+H]+,30.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507465,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O,275.11387,[M+H]+,20.0,test,NC(=O)CCC(Nc1ncnc2ccccc12)C(=O)O
507466,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507467,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507468,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,60.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507469,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,15.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507470,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507471,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507472,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507473,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,60.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507474,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,30.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507475,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507476,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507477,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507478,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,60.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507479,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,15.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507480,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,367.07178,[M+FA]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507481,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1,323.08085,[M+H]+,20.0,test,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1
507482,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1,323.08085,[M+H]+,20.0,test,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1
507483,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1,323.08085,[M+H]+,60.0,test,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1
507484,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1,323.08085,[M+H]+,30.0,test,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1
507485,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1,323.08085,[M+H]+,20.0,test,O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1
507486,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,30.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507487,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,30.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507488,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,60.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507489,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,20.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507490,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1,323.08085,[M+H]+,30.0,test,COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1
507491,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1,327.0677,[M+H]+,30.0,test,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1
507492,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1,327.0677,[M+H]+,30.0,test,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1
507493,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1,327.0677,[M+H]+,20.0,test,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1
507494,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1,327.0677,[M+H]+,60.0,test,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1
507495,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1,327.0677,[M+H]+,30.0,test,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1
507496,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1,327.0677,[M+H]+,60.0,test,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1
507497,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1,327.0677,[M+H]+,20.0,test,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1
507498,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1,327.0677,[M+H]+,30.0,test,Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2ccnn2)C1
507499,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,342.08418,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507500,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,342.08418,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507501,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,342.08418,[M-H]-,30.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507502,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,342.08418,[M-H]-,60.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507503,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,342.08418,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507504,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,342.08418,[M-H]-,45.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507505,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,342.08418,[M-H]-,60.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507506,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,342.08418,[M-H]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507507,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,378.06085,[M+Cl]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507508,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,378.06085,[M+Cl]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507509,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,378.06085,[M+Cl]-,60.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507510,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,378.06085,[M+Cl]-,15.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507511,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,378.06085,[M+Cl]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507512,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,388.08965,[M+FA]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507513,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,388.08965,[M+FA]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507514,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,388.08965,[M+FA]-,60.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507515,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,388.08965,[M+FA]-,15.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507516,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,388.08965,[M+FA]-,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507517,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,344.09873,[M+H]+,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507518,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,344.09873,[M+H]+,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507519,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,344.09873,[M+H]+,30.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507520,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,344.09873,[M+H]+,60.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507521,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,344.09873,[M+H]+,15.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507522,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,344.09873,[M+H]+,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507523,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,344.09873,[M+H]+,60.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507524,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1,344.09873,[M+H]+,20.0,test,O=S(=O)(c1cccc(C(F)F)c1)N1CCN(c2ncn[nH]2)CC1
507525,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,324.04821,[M-H]-,20.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507526,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,324.04821,[M-H]-,20.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507527,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,324.04821,[M-H]-,60.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507528,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,324.04821,[M-H]-,45.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507529,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,324.04821,[M-H]-,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507530,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,324.04821,[M-H]-,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507531,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,324.04821,[M-H]-,30.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507532,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,324.04821,[M-H]-,60.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507533,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,324.04821,[M-H]-,15.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507534,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,324.04821,[M-H]-,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507535,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,324.04821,[M-H]-,60.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507536,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,324.04821,[M-H]-,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507537,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,360.02488,[M+Cl]-,15.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507538,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,360.02488,[M+Cl]-,15.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507539,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,360.02488,[M+Cl]-,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507540,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,360.02488,[M+Cl]-,60.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507541,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,360.02488,[M+Cl]-,15.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507542,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,370.05369,[M+FA]-,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507543,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,370.05369,[M+FA]-,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507544,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,370.05369,[M+FA]-,60.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507545,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,370.05369,[M+FA]-,15.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507546,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,370.05369,[M+FA]-,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507547,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,326.06276,[M+H]+,20.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507548,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,326.06276,[M+H]+,20.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507549,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,326.06276,[M+H]+,60.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507550,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,326.06276,[M+H]+,15.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507551,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,326.06276,[M+H]+,20.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507552,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,348.0447,[M+Na]+,20.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507553,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,348.0447,[M+Na]+,20.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507554,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,348.0447,[M+Na]+,60.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507555,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,348.0447,[M+Na]+,20.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507556,Cc1c(C)c(C(=O)NS(=O)(=O)c2cnc3CCCn23)cs1,348.0447,[M+Na]+,45.0,test,Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C
507557,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,326.06276,[M+H]+,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507558,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,326.06276,[M+H]+,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507559,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,326.06276,[M+H]+,60.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507560,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,326.06276,[M+H]+,15.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507561,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1,326.06276,[M+H]+,20.0,test,CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1
507562,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1,326.06276,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1
507563,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1,326.06276,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1
507564,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1,326.06276,[M+H]+,60.0,test,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1
507565,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1,326.06276,[M+H]+,30.0,test,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1
507566,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1,326.06276,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccsc2)C1
507567,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,340.04312,[M-H]-,20.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507568,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,340.04312,[M-H]-,20.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507569,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,340.04312,[M-H]-,60.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507570,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,340.04312,[M-H]-,15.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507571,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,340.04312,[M-H]-,20.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507572,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,342.05767,[M+H]+,30.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507573,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,342.05767,[M+H]+,30.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507574,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,342.05767,[M+H]+,60.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507575,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,342.05767,[M+H]+,20.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507576,Cc1c(S(=O)(=O)N2CCc3c(ccs3)C2C(=O)O)cnn1C,342.05767,[M+H]+,30.0,test,Cc1c(S(=O)(=O)N2CCc3sccc3C2C(=O)O)cnn1C
507577,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,340.04312,[M-H]-,20.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507578,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,340.04312,[M-H]-,20.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507579,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,340.04312,[M-H]-,60.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507580,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,340.04312,[M-H]-,30.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507581,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,340.04312,[M-H]-,20.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507582,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,340.04312,[M-H]-,30.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507583,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,340.04312,[M-H]-,20.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507584,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,340.04312,[M-H]-,60.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507585,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,342.05767,[M+H]+,20.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507586,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,342.05767,[M+H]+,20.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507587,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,342.05767,[M+H]+,60.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507588,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,342.05767,[M+H]+,30.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507589,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1,342.05767,[M+H]+,20.0,test,CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1
507590,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,296.04206,[M-H]-,20.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507591,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,296.04206,[M-H]-,20.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507592,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,296.04206,[M-H]-,60.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507593,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,296.04206,[M-H]-,30.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507594,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,296.04206,[M-H]-,20.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507595,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,296.04206,[M-H]-,60.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507596,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,296.04206,[M-H]-,30.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507597,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,296.04206,[M-H]-,20.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507598,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,298.05661,[M+H]+,20.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507599,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,298.05661,[M+H]+,20.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507600,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,298.05661,[M+H]+,60.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507601,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,298.05661,[M+H]+,30.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507602,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,298.05661,[M+H]+,20.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507603,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,298.05661,[M+H]+,60.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507604,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,298.05661,[M+H]+,30.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507605,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2c1ccs2,298.05661,[M+H]+,20.0,test,O=C(O)[C@H]1CCCN1C(=O)C1SCCc2sccc21
507606,CCNc1nc(NCC)nc(Nc2cc(Cl)c(Cl)cc2)n1,327.08863,[M+H]+,20.0,test,CCNc1nc(NCC)nc(Nc2ccc(Cl)c(Cl)c2)n1
507607,CCNc1nc(NCC)nc(Nc2cc(Cl)c(Cl)cc2)n1,327.08863,[M+H]+,20.0,test,CCNc1nc(NCC)nc(Nc2ccc(Cl)c(Cl)c2)n1
507608,CCNc1nc(NCC)nc(Nc2cc(Cl)c(Cl)cc2)n1,327.08863,[M+H]+,60.0,test,CCNc1nc(NCC)nc(Nc2ccc(Cl)c(Cl)c2)n1
507609,CCNc1nc(NCC)nc(Nc2cc(Cl)c(Cl)cc2)n1,327.08863,[M+H]+,20.0,test,CCNc1nc(NCC)nc(Nc2ccc(Cl)c(Cl)c2)n1
507610,CCNc1nc(NCC)nc(Nc2cc(Cl)c(Cl)cc2)n1,327.08863,[M+H]+,45.0,test,CCNc1nc(NCC)nc(Nc2ccc(Cl)c(Cl)c2)n1
507611,CCNc1nc(NCC)nc(Nc2cc(Cl)c(Cl)cc2)n1,327.08863,[M+H]+,60.0,test,CCNc1nc(NCC)nc(Nc2ccc(Cl)c(Cl)c2)n1
507612,CCNc1nc(NCC)nc(Nc2cc(Cl)c(Cl)cc2)n1,327.08863,[M+H]+,20.0,test,CCNc1nc(NCC)nc(Nc2ccc(Cl)c(Cl)c2)n1
507613,CCNc1nc(NCC)nc(Nc2cc(Cl)c(Cl)cc2)n1,327.08863,[M+H]+,45.0,test,CCNc1nc(NCC)nc(Nc2ccc(Cl)c(Cl)c2)n1
507614,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,335.0892,[M-H]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507615,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,335.0892,[M-H]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507616,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,335.0892,[M-H]-,60.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507617,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,335.0892,[M-H]-,30.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507618,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,335.0892,[M-H]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507619,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,335.0892,[M-H]-,60.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507620,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,335.0892,[M-H]-,30.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507621,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,335.0892,[M-H]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507622,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,371.06587,[M+Cl]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507623,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,371.06587,[M+Cl]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507624,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,371.06587,[M+Cl]-,60.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507625,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,371.06587,[M+Cl]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507626,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,371.06587,[M+Cl]-,60.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507627,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,381.09468,[M+FA]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507628,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,381.09468,[M+FA]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507629,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,381.09468,[M+FA]-,60.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507630,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,381.09468,[M+FA]-,15.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507631,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,381.09468,[M+FA]-,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507632,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,337.10375,[M+H]+,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507633,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,337.10375,[M+H]+,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507634,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,337.10375,[M+H]+,30.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507635,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,337.10375,[M+H]+,60.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507636,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,337.10375,[M+H]+,15.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507637,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,337.10375,[M+H]+,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507638,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,337.10375,[M+H]+,60.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507639,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cc(Cl)cnc1,337.10375,[M+H]+,20.0,test,O=C(NCC1CCN(CC(F)(F)F)C1)Nc1cncc(Cl)c1
507640,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,328.05281,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507641,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,328.05281,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507642,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,328.05281,[M-H]-,60.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507643,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,328.05281,[M-H]-,30.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507644,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,328.05281,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507645,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,330.06737,[M+H]+,20.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507646,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,330.06737,[M+H]+,20.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507647,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,330.06737,[M+H]+,60.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507648,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,330.06737,[M+H]+,30.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507649,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,330.06737,[M+H]+,20.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507650,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,330.06737,[M+H]+,60.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507651,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,330.06737,[M+H]+,30.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507652,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl,330.06737,[M+H]+,20.0,test,COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1Cl
507653,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1,294.11161,[M+H]+,20.0,test,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1
507654,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1,294.11161,[M+H]+,20.0,test,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1
507655,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1,294.11161,[M+H]+,60.0,test,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1
507656,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1,294.11161,[M+H]+,30.0,test,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1
507657,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1,294.11161,[M+H]+,20.0,test,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1
507658,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1,294.11161,[M+H]+,45.0,test,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1
507659,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1,294.11161,[M+H]+,60.0,test,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1
507660,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1,294.11161,[M+H]+,20.0,test,Cn1nccc1C1(O)CCN(c2ncncc2Cl)CC1
507661,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,268.07459,[M-H]-,20.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507662,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,268.07459,[M-H]-,20.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507663,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,268.07459,[M-H]-,30.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507664,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,268.07459,[M-H]-,20.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507665,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,270.08915,[M+H]+,20.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507666,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,270.08915,[M+H]+,20.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507667,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,270.08915,[M+H]+,60.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507668,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,270.08915,[M+H]+,15.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507669,CCC(C(=O)O)N(C)C(=O)c1c(Cl)cc(C)cc1,270.08915,[M+H]+,20.0,test,CCC(C(=O)O)N(C)C(=O)c1ccc(C)cc1Cl
507670,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,268.07459,[M-H]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507671,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,268.07459,[M-H]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507672,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,268.07459,[M-H]-,15.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507673,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,268.07459,[M-H]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507674,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,268.07459,[M-H]-,15.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507675,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,268.07459,[M-H]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507676,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,304.05127,[M+Cl]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507677,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,304.05127,[M+Cl]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507678,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,304.05127,[M+Cl]-,15.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507679,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,304.05127,[M+Cl]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507680,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,314.08007,[M+FA]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507681,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,314.08007,[M+FA]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507682,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,314.08007,[M+FA]-,15.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507683,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,314.08007,[M+FA]-,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507684,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,252.07859,[M+H-H2O]+,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507685,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,252.07859,[M+H-H2O]+,60.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507686,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,252.07859,[M+H-H2O]+,30.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507687,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,252.07859,[M+H-H2O]+,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507688,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,270.08915,[M+H]+,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507689,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,270.08915,[M+H]+,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507690,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,270.08915,[M+H]+,60.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507691,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,270.08915,[M+H]+,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507692,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,270.08915,[M+H]+,45.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507693,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,270.08915,[M+H]+,60.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507694,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,270.08915,[M+H]+,20.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507695,CC(C)(C)C(=O)NCc1cc(C(=O)O)c(Cl)cc1,270.08915,[M+H]+,45.0,test,CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1
507696,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,268.07459,[M-H]-,20.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507697,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,268.07459,[M-H]-,20.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507698,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,268.07459,[M-H]-,60.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507699,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,268.07459,[M-H]-,30.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507700,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,268.07459,[M-H]-,20.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507701,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O,268.07459,[M-H]-,20.0,test,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O
507702,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O,268.07459,[M-H]-,20.0,test,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O
507703,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O,268.07459,[M-H]-,60.0,test,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O
507704,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O,268.07459,[M-H]-,30.0,test,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O
507705,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O,268.07459,[M-H]-,20.0,test,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)O
507706,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,270.08915,[M+H]+,20.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507707,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,270.08915,[M+H]+,20.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507708,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,270.08915,[M+H]+,60.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507709,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,270.08915,[M+H]+,15.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507710,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O,270.08915,[M+H]+,20.0,test,CC(C)CC(NC(=O)c1ccccc1Cl)C(=O)O
507711,CCOc1c(O)c(Cl)cc(C(=S)N2CCOCC2)c1,300.04667,[M-H]-,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507712,CCOc1c(O)c(Cl)cc(C(=S)N2CCOCC2)c1,300.04667,[M-H]-,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507713,CCOc1c(O)c(Cl)cc(C(=S)N2CCOCC2)c1,300.04667,[M-H]-,30.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507714,CCOc1c(O)c(Cl)cc(C(=S)N2CCOCC2)c1,300.04667,[M-H]-,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507715,CCOc1c(O)c(Cl)cc(C(=S)N2CCOCC2)c1,300.04667,[M-H]-,30.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507716,CCOc1c(O)c(Cl)cc(C(=S)N2CCOCC2)c1,300.04667,[M-H]-,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507717,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,300.04667,[M-H]-,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507718,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,300.04667,[M-H]-,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507719,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,300.04667,[M-H]-,45.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507720,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,300.04667,[M-H]-,60.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507721,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,300.04667,[M-H]-,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507722,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,302.06122,[M+H]+,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507723,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,302.06122,[M+H]+,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507724,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,302.06122,[M+H]+,45.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507725,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,302.06122,[M+H]+,60.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507726,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O,302.06122,[M+H]+,20.0,test,CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O
507727,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1,302.06122,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1
507728,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1,302.06122,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1
507729,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1,302.06122,[M+H]+,60.0,test,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1
507730,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1,302.06122,[M+H]+,30.0,test,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1
507731,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1,302.06122,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)C1
507732,Cc1c(S(=O)(=O)NCC2(C(=O)O)CCC2)ccc(Cl)c1,316.04158,[M-H]-,20.0,test,Cc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCC1
507733,Cc1c(S(=O)(=O)NCC2(C(=O)O)CCC2)ccc(Cl)c1,316.04158,[M-H]-,20.0,test,Cc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCC1
507734,Cc1c(S(=O)(=O)NCC2(C(=O)O)CCC2)ccc(Cl)c1,316.04158,[M-H]-,60.0,test,Cc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCC1
507735,Cc1c(S(=O)(=O)NCC2(C(=O)O)CCC2)ccc(Cl)c1,316.04158,[M-H]-,30.0,test,Cc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCC1
507736,Cc1c(S(=O)(=O)NCC2(C(=O)O)CCC2)ccc(Cl)c1,316.04158,[M-H]-,20.0,test,Cc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCC1
507737,Cc1c(S(=O)(=O)NCC2(C(=O)O)CCC2)ccc(Cl)c1,316.04158,[M-H]-,60.0,test,Cc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCC1
507738,Cc1c(S(=O)(=O)NCC2(C(=O)O)CCC2)ccc(Cl)c1,316.04158,[M-H]-,30.0,test,Cc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCC1
507739,Cc1c(S(=O)(=O)NCC2(C(=O)O)CCC2)ccc(Cl)c1,316.04158,[M-H]-,20.0,test,Cc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCC1
507740,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,316.04158,[M-H]-,20.0,test,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
507741,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,316.04158,[M-H]-,20.0,test,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
507742,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,316.04158,[M-H]-,60.0,test,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
507743,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,316.04158,[M-H]-,15.0,test,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
507744,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,316.04158,[M-H]-,20.0,test,O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
507745,CN(C(=O)COc1ccc(Cl)cc1)C1CCS(=O)(=O)C1,362.04706,[M+FA]-,20.0,test,CN(C(=O)COc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
507746,CN(C(=O)COc1ccc(Cl)cc1)C1CCS(=O)(=O)C1,362.04706,[M+FA]-,60.0,test,CN(C(=O)COc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
507747,CN(C(=O)COc1ccc(Cl)cc1)C1CCS(=O)(=O)C1,362.04706,[M+FA]-,15.0,test,CN(C(=O)COc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
507748,CN(C(=O)COc1ccc(Cl)cc1)C1CCS(=O)(=O)C1,362.04706,[M+FA]-,20.0,test,CN(C(=O)COc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
507749,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,333.07261,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507750,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,333.07261,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507751,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,333.07261,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507752,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,333.07261,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507753,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,333.07261,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507754,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,333.07261,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507755,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,335.08716,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507756,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,335.08716,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507757,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,335.08716,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507758,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,335.08716,[M+H]+,30.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507759,COc1ncc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cc1,335.08716,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NC(=O)C2CCC(F)(F)CC2)cn1
507760,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,346.11325,[M-H]-,20.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507761,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,346.11325,[M-H]-,20.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507762,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,346.11325,[M-H]-,60.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507763,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,346.11325,[M-H]-,20.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507764,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,346.11325,[M-H]-,45.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507765,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,346.11325,[M-H]-,60.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507766,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,346.11325,[M-H]-,20.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507767,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,346.11325,[M-H]-,45.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507768,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,348.1278,[M+H]+,20.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507769,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,348.1278,[M+H]+,20.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507770,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,348.1278,[M+H]+,60.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507771,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,348.1278,[M+H]+,15.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507772,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,348.1278,[M+H]+,20.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507773,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,348.1278,[M+H]+,60.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507774,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,348.1278,[M+H]+,15.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507775,Cn1c(=O)c2c(nc(CN3CCC(O)(C(F)(F)F)C3)[nH]2)n(C)c1=O,348.1278,[M+H]+,20.0,test,Cn1c(=O)c2[nH]c(CN3CCC(O)(C(F)(F)F)C3)nc2n(C)c1=O
507776,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O,330.09183,[M+H]+,20.0,test,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O
507777,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O,330.09183,[M+H]+,20.0,test,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O
507778,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O,330.09183,[M+H]+,60.0,test,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O
507779,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O,330.09183,[M+H]+,30.0,test,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O
507780,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O,330.09183,[M+H]+,20.0,test,CN1c2ccc(F)cc2N(CC(=O)N2CCOCC2)S1(=O)=O
507781,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,252.10415,[M-H]-,20.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507782,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,252.10415,[M-H]-,20.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507783,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,252.10415,[M-H]-,60.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507784,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,252.10415,[M-H]-,30.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507785,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,252.10415,[M-H]-,20.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507786,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,252.10415,[M-H]-,20.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507787,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,252.10415,[M-H]-,20.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507788,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,252.10415,[M-H]-,60.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507789,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,252.10415,[M-H]-,30.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507790,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,252.10415,[M-H]-,20.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507791,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,252.10415,[M-H]-,45.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507792,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,252.10415,[M-H]-,60.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507793,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,252.10415,[M-H]-,20.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507794,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,252.10415,[M-H]-,20.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507795,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,252.10415,[M-H]-,20.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507796,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,252.10415,[M-H]-,60.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507797,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,252.10415,[M-H]-,20.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507798,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,252.10415,[M-H]-,60.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507799,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,254.1187,[M+H]+,20.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507800,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,254.1187,[M+H]+,20.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507801,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,254.1187,[M+H]+,60.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507802,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,254.1187,[M+H]+,15.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507803,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1,254.1187,[M+H]+,20.0,test,CCC(C)N(CC(=O)O)C(=O)c1ccc(F)cc1
507804,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,236.10814,[M+H-H2O]+,15.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507805,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,236.10814,[M+H-H2O]+,15.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507806,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,236.10814,[M+H-H2O]+,60.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507807,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,236.10814,[M+H-H2O]+,20.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507808,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,236.10814,[M+H-H2O]+,15.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507809,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,254.1187,[M+H]+,20.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507810,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,254.1187,[M+H]+,20.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507811,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,254.1187,[M+H]+,60.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507812,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,254.1187,[M+H]+,15.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507813,Cc1c(C(=O)NCC(C)(C)C(=O)O)ccc(F)c1,254.1187,[M+H]+,20.0,test,Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O
507814,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,254.1187,[M+H]+,20.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507815,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,254.1187,[M+H]+,20.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507816,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,254.1187,[M+H]+,60.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507817,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,254.1187,[M+H]+,30.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507818,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,254.1187,[M+H]+,20.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507819,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,254.1187,[M+H]+,60.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507820,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,254.1187,[M+H]+,30.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507821,CCC1CN(C(=O)c2c(F)cc(O)cc2)CCO1,254.1187,[M+H]+,20.0,test,CCC1CN(C(=O)c2ccc(O)cc2F)CCO1
507822,O=C(COc1ccc(F)cc1)N1CCCC1CO,254.1187,[M+H]+,30.0,test,O=C(COc1ccc(F)cc1)N1CCCC1CO
507823,O=C(COc1ccc(F)cc1)N1CCCC1CO,254.1187,[M+H]+,30.0,test,O=C(COc1ccc(F)cc1)N1CCCC1CO
507824,O=C(COc1ccc(F)cc1)N1CCCC1CO,254.1187,[M+H]+,20.0,test,O=C(COc1ccc(F)cc1)N1CCCC1CO
507825,O=C(COc1ccc(F)cc1)N1CCCC1CO,254.1187,[M+H]+,60.0,test,O=C(COc1ccc(F)cc1)N1CCCC1CO
507826,O=C(COc1ccc(F)cc1)N1CCCC1CO,254.1187,[M+H]+,30.0,test,O=C(COc1ccc(F)cc1)N1CCCC1CO
507827,O=C(COc1ccc(F)cc1)N1CCCC1CO,254.1187,[M+H]+,20.0,test,O=C(COc1ccc(F)cc1)N1CCCC1CO
507828,O=C(COc1ccc(F)cc1)N1CCCC1CO,254.1187,[M+H]+,60.0,test,O=C(COc1ccc(F)cc1)N1CCCC1CO
507829,O=C(COc1ccc(F)cc1)N1CCCC1CO,254.1187,[M+H]+,30.0,test,O=C(COc1ccc(F)cc1)N1CCCC1CO
507830,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,279.09865,[M-H]-,20.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507831,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,279.09865,[M-H]-,20.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507832,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,279.09865,[M-H]-,60.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507833,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,279.09865,[M-H]-,15.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507834,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,279.09865,[M-H]-,20.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507835,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,281.1132,[M+H]+,20.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507836,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,281.1132,[M+H]+,20.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507837,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,281.1132,[M+H]+,60.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507838,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,281.1132,[M+H]+,15.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507839,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O,281.1132,[M+H]+,20.0,test,CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O
507840,Cc1c(-c2nn3c(CSC(C)(C)C)nnc3s2)cco1,309.08383,[M+H]+,20.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507841,Cc1c(-c2nn3c(CSC(C)(C)C)nnc3s2)cco1,309.08383,[M+H]+,20.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507842,Cc1c(-c2nn3c(CSC(C)(C)C)nnc3s2)cco1,309.08383,[M+H]+,60.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507843,Cc1c(-c2nn3c(CSC(C)(C)C)nnc3s2)cco1,309.08383,[M+H]+,30.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507844,Cc1c(-c2nn3c(CSC(C)(C)C)nnc3s2)cco1,309.08383,[M+H]+,20.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507845,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,307.06928,[M-H]-,20.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507846,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,307.06928,[M-H]-,20.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507847,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,307.06928,[M-H]-,60.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507848,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,307.06928,[M-H]-,30.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507849,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,307.06928,[M-H]-,20.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507850,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1,309.08383,[M+H]+,20.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507851,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1,309.08383,[M+H]+,20.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507852,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1,309.08383,[M+H]+,60.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507853,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1,309.08383,[M+H]+,30.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507854,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1,309.08383,[M+H]+,20.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507855,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1,309.08383,[M+H]+,30.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507856,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1,309.08383,[M+H]+,20.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507857,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1,309.08383,[M+H]+,60.0,test,Cc1occc1-c1nn2c(CSC(C)(C)C)nnc2s1
507858,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,309.08383,[M+H]+,20.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507859,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,309.08383,[M+H]+,20.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507860,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,309.08383,[M+H]+,60.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507861,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,309.08383,[M+H]+,30.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507862,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,309.08383,[M+H]+,20.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507863,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,309.08383,[M+H]+,20.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507864,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,309.08383,[M+H]+,30.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507865,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1,309.08383,[M+H]+,60.0,test,CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
507866,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1,309.08383,[M+H]+,20.0,test,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1
507867,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1,309.08383,[M+H]+,20.0,test,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1
507868,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1,309.08383,[M+H]+,60.0,test,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1
507869,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1,309.08383,[M+H]+,15.0,test,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1
507870,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1,309.08383,[M+H]+,20.0,test,CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1
507871,CC(=O)c1cc2c(cc1)OC(C(C)(C)O)C2O,281.10306,[M+FA]-,15.0,test,CC(=O)c1ccc2c(c1)C(O)C(C(C)(C)O)O2
507872,CC(=O)c1cc2c(cc1)OC(C(C)(C)O)C2O,281.10306,[M+FA]-,20.0,test,CC(=O)c1ccc2c(c1)C(O)C(C(C)(C)O)O2
507873,CC(=O)c1cc2c(cc1)OC(C(C)(C)O)C2O,281.10306,[M+FA]-,60.0,test,CC(=O)c1ccc2c(c1)C(O)C(C(C)(C)O)O2
507874,CC(=O)c1cc2c(cc1)OC(C(C)(C)O)C2O,281.10306,[M+FA]-,15.0,test,CC(=O)c1ccc2c(c1)C(O)C(C(C)(C)O)O2
507875,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507876,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507877,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,60.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507878,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,15.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507879,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507880,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507881,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507882,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,60.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507883,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,15.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507884,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507885,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507886,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507887,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,60.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507888,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,15.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507889,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507890,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507891,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507892,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,60.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507893,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,15.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507894,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
507895,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,329.08781,[M+FA]-,20.0,test,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
507896,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,329.08781,[M+FA]-,20.0,test,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
507897,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,329.08781,[M+FA]-,60.0,test,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
507898,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,329.08781,[M+FA]-,15.0,test,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
507899,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,329.08781,[M+FA]-,20.0,test,O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
507900,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,319.059,[M+Cl]-,20.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507901,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,319.059,[M+Cl]-,20.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507902,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,319.059,[M+Cl]-,60.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507903,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,319.059,[M+Cl]-,15.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507904,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,319.059,[M+Cl]-,20.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507905,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,329.08781,[M+FA]-,20.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507906,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,329.08781,[M+FA]-,20.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507907,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,329.08781,[M+FA]-,60.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507908,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,329.08781,[M+FA]-,15.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507909,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,329.08781,[M+FA]-,20.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507910,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,329.08781,[M+FA]-,15.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507911,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,329.08781,[M+FA]-,20.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507912,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,329.08781,[M+FA]-,60.0,test,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
507913,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507914,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507915,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,15.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507916,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,319.059,[M+Cl]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507917,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507918,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507919,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,60.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507920,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,15.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507921,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,329.08781,[M+FA]-,20.0,test,O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
507922,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,20.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507923,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,20.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507924,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,60.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507925,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,15.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507926,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,20.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507927,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,339.04621,[M-H]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507928,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,339.04621,[M-H]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507929,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,339.04621,[M-H]-,60.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507930,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,339.04621,[M-H]-,30.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507931,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,339.04621,[M-H]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507932,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,339.04621,[M-H]-,30.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507933,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,339.04621,[M-H]-,60.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507934,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,339.04621,[M-H]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507935,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,375.02289,[M+Cl]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507936,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,375.02289,[M+Cl]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507937,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,375.02289,[M+Cl]-,60.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507938,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,375.02289,[M+Cl]-,15.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507939,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,375.02289,[M+Cl]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507940,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,385.05169,[M+FA]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507941,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,385.05169,[M+FA]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507942,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,385.05169,[M+FA]-,60.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507943,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,385.05169,[M+FA]-,15.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507944,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,385.05169,[M+FA]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507945,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,385.05169,[M+FA]-,60.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507946,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,385.05169,[M+FA]-,15.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507947,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,385.05169,[M+FA]-,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507948,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,341.06076,[M+H]+,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507949,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,341.06076,[M+H]+,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507950,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,341.06076,[M+H]+,60.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507951,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,341.06076,[M+H]+,30.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507952,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,341.06076,[M+H]+,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507953,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,341.06076,[M+H]+,30.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507954,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,341.06076,[M+H]+,60.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507955,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC,341.06076,[M+H]+,20.0,test,CCOc1cc(CNc2ncn[nH]2)cc(Br)c1OCC
507956,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,30.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507957,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,30.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507958,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,20.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507959,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,60.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507960,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,30.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507961,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,20.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507962,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,60.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507963,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1,341.06076,[M+H]+,30.0,test,CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
507964,NCC1CCN(CC(=O)Nc2c(Cl)ccc(Cl)c2)C1,302.08214,[M+H]+,20.0,test,NCC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1
507965,NCC1CCN(CC(=O)Nc2c(Cl)ccc(Cl)c2)C1,302.08214,[M+H]+,20.0,test,NCC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1
507966,NCC1CCN(CC(=O)Nc2c(Cl)ccc(Cl)c2)C1,302.08214,[M+H]+,60.0,test,NCC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1
507967,NCC1CCN(CC(=O)Nc2c(Cl)ccc(Cl)c2)C1,302.08214,[M+H]+,15.0,test,NCC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1
507968,NCC1CCN(CC(=O)Nc2c(Cl)ccc(Cl)c2)C1,302.08214,[M+H]+,20.0,test,NCC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1
507969,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507970,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507971,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507972,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,30.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507973,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507974,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507975,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,30.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507976,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507977,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507978,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507979,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507980,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507981,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507982,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507983,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507984,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,15.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507985,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507986,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507987,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507988,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507989,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,30.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507990,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507991,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507992,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507993,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507994,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,30.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507995,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507996,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,30.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507997,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507998,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,300.06759,[M-H]-,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
507999,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508000,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508001,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508002,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,15.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508003,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,336.04427,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508004,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508005,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508006,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508007,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,15.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508008,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,346.07307,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508009,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508010,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508011,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,60.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508012,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,30.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508013,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1,302.08214,[M+H]+,20.0,test,O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1
508014,CN1CCN(C(C(=O)O)c2cc(Cl)ccc2)CC1,267.09058,[M-H]-,20.0,test,CN1CCN(C(C(=O)O)c2cccc(Cl)c2)CC1
508015,CN1CCN(C(C(=O)O)c2cc(Cl)ccc2)CC1,267.09058,[M-H]-,20.0,test,CN1CCN(C(C(=O)O)c2cccc(Cl)c2)CC1
508016,CN1CCN(C(C(=O)O)c2cc(Cl)ccc2)CC1,267.09058,[M-H]-,15.0,test,CN1CCN(C(C(=O)O)c2cccc(Cl)c2)CC1
508017,COc1c(C(=O)NC2CCNCC2)ccc(Cl)c1,269.10513,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)NC1CCNCC1
508018,COc1c(C(=O)NC2CCNCC2)ccc(Cl)c1,269.10513,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)NC1CCNCC1
508019,COc1c(C(=O)NC2CCNCC2)ccc(Cl)c1,269.10513,[M+H]+,60.0,test,COc1cc(Cl)ccc1C(=O)NC1CCNCC1
508020,COc1c(C(=O)NC2CCNCC2)ccc(Cl)c1,269.10513,[M+H]+,30.0,test,COc1cc(Cl)ccc1C(=O)NC1CCNCC1
508021,COc1c(C(=O)NC2CCNCC2)ccc(Cl)c1,269.10513,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)NC1CCNCC1
508022,CN1CCN(C(C(=O)O)c2cc(Cl)ccc2)CC1,269.10513,[M+H]+,20.0,test,CN1CCN(C(C(=O)O)c2cccc(Cl)c2)CC1
508023,CN1CCN(C(C(=O)O)c2cc(Cl)ccc2)CC1,269.10513,[M+H]+,20.0,test,CN1CCN(C(C(=O)O)c2cccc(Cl)c2)CC1
508024,CN1CCN(C(C(=O)O)c2cc(Cl)ccc2)CC1,269.10513,[M+H]+,60.0,test,CN1CCN(C(C(=O)O)c2cccc(Cl)c2)CC1
508025,CN1CCN(C(C(=O)O)c2cc(Cl)ccc2)CC1,269.10513,[M+H]+,30.0,test,CN1CCN(C(C(=O)O)c2cccc(Cl)c2)CC1
508026,CN1CCN(C(C(=O)O)c2cc(Cl)ccc2)CC1,269.10513,[M+H]+,20.0,test,CN1CCN(C(C(=O)O)c2cccc(Cl)c2)CC1
508027,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508028,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508029,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,60.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508030,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,30.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508031,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508032,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,60.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508033,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,30.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508034,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508035,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508036,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508037,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,60.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508038,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,30.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508039,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508040,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,60.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508041,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,30.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508042,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,269.10513,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
508043,Cc1nn(C)c2c1c(Cl)cc(N1CCC(O)CC1)n2,281.11636,[M+H]+,20.0,test,Cc1nn(C)c2nc(N3CCC(O)CC3)cc(Cl)c12
508044,Cc1nn(C)c2c1c(Cl)cc(N1CCC(O)CC1)n2,281.11636,[M+H]+,20.0,test,Cc1nn(C)c2nc(N3CCC(O)CC3)cc(Cl)c12
508045,Cc1nn(C)c2c1c(Cl)cc(N1CCC(O)CC1)n2,281.11636,[M+H]+,60.0,test,Cc1nn(C)c2nc(N3CCC(O)CC3)cc(Cl)c12
508046,Cc1nn(C)c2c1c(Cl)cc(N1CCC(O)CC1)n2,281.11636,[M+H]+,20.0,test,Cc1nn(C)c2nc(N3CCC(O)CC3)cc(Cl)c12
508047,Cc1nn(C)c2c1c(Cl)cc(N1CCC(O)CC1)n2,281.11636,[M+H]+,60.0,test,Cc1nn(C)c2nc(N3CCC(O)CC3)cc(Cl)c12
508048,Cc1nn(C)c2c1c(Cl)cc(N1CCC(O)CC1)n2,281.11636,[M+H]+,20.0,test,Cc1nn(C)c2nc(N3CCC(O)CC3)cc(Cl)c12
508049,CC(C)Cc1c(C(=O)NCCc2cnc[nH]2)nc(Cl)s1,313.08844,[M+H]+,20.0,test,CC(C)Cc1sc(Cl)nc1C(=O)NCCc1cnc[nH]1
508050,CC(C)Cc1c(C(=O)NCCc2cnc[nH]2)nc(Cl)s1,313.08844,[M+H]+,20.0,test,CC(C)Cc1sc(Cl)nc1C(=O)NCCc1cnc[nH]1
508051,CC(C)Cc1c(C(=O)NCCc2cnc[nH]2)nc(Cl)s1,313.08844,[M+H]+,60.0,test,CC(C)Cc1sc(Cl)nc1C(=O)NCCc1cnc[nH]1
508052,CC(C)Cc1c(C(=O)NCCc2cnc[nH]2)nc(Cl)s1,313.08844,[M+H]+,30.0,test,CC(C)Cc1sc(Cl)nc1C(=O)NCCc1cnc[nH]1
508053,CC(C)Cc1c(C(=O)NCCc2cnc[nH]2)nc(Cl)s1,313.08844,[M+H]+,20.0,test,CC(C)Cc1sc(Cl)nc1C(=O)NCCc1cnc[nH]1
508054,CC(C)Cc1c(C(=O)NCCc2cnc[nH]2)nc(Cl)s1,313.08844,[M+H]+,60.0,test,CC(C)Cc1sc(Cl)nc1C(=O)NCCc1cnc[nH]1
508055,CC(C)Cc1c(C(=O)NCCc2cnc[nH]2)nc(Cl)s1,313.08844,[M+H]+,20.0,test,CC(C)Cc1sc(Cl)nc1C(=O)NCCc1cnc[nH]1
508056,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1,302.13107,[M+H]+,20.0,test,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1
508057,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1,302.13107,[M+H]+,20.0,test,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1
508058,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1,302.13107,[M+H]+,60.0,test,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1
508059,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1,302.13107,[M+H]+,30.0,test,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1
508060,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1,302.13107,[M+H]+,20.0,test,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1
508061,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1,302.13107,[M+H]+,60.0,test,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1
508062,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1,302.13107,[M+H]+,30.0,test,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1
508063,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1,302.13107,[M+H]+,20.0,test,COc1ccc(C)nc1NC(=O)N1CC[C@@H](OC(F)F)C1
508064,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,288.08753,[M-H]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508065,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,288.08753,[M-H]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508066,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,288.08753,[M-H]-,60.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508067,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,288.08753,[M-H]-,30.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508068,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,288.08753,[M-H]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508069,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,288.08753,[M-H]-,60.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508070,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,288.08753,[M-H]-,30.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508071,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,288.08753,[M-H]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508072,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,324.06421,[M+Cl]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508073,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,324.06421,[M+Cl]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508074,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,324.06421,[M+Cl]-,60.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508075,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,324.06421,[M+Cl]-,15.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508076,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,324.06421,[M+Cl]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508077,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,334.09301,[M+FA]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508078,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,334.09301,[M+FA]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508079,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,334.09301,[M+FA]-,60.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508080,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,334.09301,[M+FA]-,15.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508081,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,334.09301,[M+FA]-,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508082,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,272.09152,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508083,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,272.09152,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508084,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,272.09152,[M+H-H2O]+,60.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508085,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,272.09152,[M+H-H2O]+,30.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508086,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,272.09152,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508087,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,290.10208,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508088,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,290.10208,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508089,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,290.10208,[M+H]+,60.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508090,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,290.10208,[M+H]+,15.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508091,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1,290.10208,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2(O)CCC(F)(F)CC2)c1
508092,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,342.05877,[M-H]-,20.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508093,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,342.05877,[M-H]-,20.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508094,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,342.05877,[M-H]-,60.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508095,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,342.05877,[M-H]-,30.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508096,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,342.05877,[M-H]-,20.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508097,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,344.07332,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508098,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,344.07332,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508099,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,344.07332,[M+H]+,60.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508100,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,344.07332,[M+H]+,15.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508101,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2cscc2)nc1C,344.07332,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)nc1C
508102,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1,340.08964,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1
508103,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1,340.08964,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1
508104,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1,340.08964,[M+H]+,45.0,test,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1
508105,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1,340.08964,[M+H]+,60.0,test,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1
508106,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1,340.08964,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1
508107,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1,340.08964,[M+H]+,60.0,test,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1
508108,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1,340.08964,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1
508109,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1,340.08964,[M+H]+,45.0,test,Cn1ccnc1S(=O)(=O)N1CC2CN(c3nccs3)CC2C1
508110,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,290.12586,[M-H]-,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508111,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,290.12586,[M-H]-,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508112,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,290.12586,[M-H]-,60.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508113,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,290.12586,[M-H]-,30.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508114,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,290.12586,[M-H]-,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508115,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,290.12586,[M-H]-,60.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508116,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,290.12586,[M-H]-,30.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508117,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,290.12586,[M-H]-,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508118,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,290.12586,[M-H]-,20.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508119,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,290.12586,[M-H]-,20.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508120,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,290.12586,[M-H]-,60.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508121,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,290.12586,[M-H]-,30.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508122,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,290.12586,[M-H]-,20.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508123,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,290.12586,[M-H]-,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508124,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,290.12586,[M-H]-,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508125,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,290.12586,[M-H]-,60.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508126,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,290.12586,[M-H]-,30.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508127,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,290.12586,[M-H]-,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508128,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,326.10254,[M+Cl]-,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508129,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,326.10254,[M+Cl]-,60.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508130,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,326.10254,[M+Cl]-,15.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508131,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,326.10254,[M+Cl]-,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508132,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,336.13134,[M+FA]-,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508133,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,336.13134,[M+FA]-,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508134,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,336.13134,[M+FA]-,60.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508135,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,336.13134,[M+FA]-,15.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508136,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,336.13134,[M+FA]-,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508137,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,292.14042,[M+H]+,20.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508138,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,292.14042,[M+H]+,20.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508139,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,292.14042,[M+H]+,60.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508140,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,292.14042,[M+H]+,30.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508141,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,292.14042,[M+H]+,20.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508142,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,292.14042,[M+H]+,60.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508143,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,292.14042,[M+H]+,30.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508144,Cc1nn2cc(NC(=O)N3C[C@@H](O)C[C@H]3CO)ccc2n1,292.14042,[M+H]+,20.0,test,Cc1nc2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cn2n1
508145,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,274.12986,[M+H-H2O]+,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508146,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,274.12986,[M+H-H2O]+,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508147,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,274.12986,[M+H-H2O]+,60.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508148,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,274.12986,[M+H-H2O]+,30.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508149,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,274.12986,[M+H-H2O]+,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508150,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,292.14042,[M+H]+,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508151,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,292.14042,[M+H]+,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508152,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,292.14042,[M+H]+,60.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508153,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,292.14042,[M+H]+,15.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508154,CCC(CC)(CNC(=O)c1nn2cccnc2n1)C(=O)O,292.14042,[M+H]+,20.0,test,CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O
508155,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,292.14042,[M+H]+,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508156,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,292.14042,[M+H]+,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508157,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,292.14042,[M+H]+,60.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508158,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,292.14042,[M+H]+,30.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508159,Cc1noc(C)c1NC(=O)Cn1nc2CCCCn2c1=O,292.14042,[M+H]+,20.0,test,Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
508160,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,358.07461,[M+Cl]-,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508161,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,358.07461,[M+Cl]-,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508162,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,358.07461,[M+Cl]-,60.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508163,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,358.07461,[M+Cl]-,15.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508164,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,358.07461,[M+Cl]-,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508165,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,368.10341,[M+FA]-,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508166,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,368.10341,[M+FA]-,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508167,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,368.10341,[M+FA]-,60.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508168,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,368.10341,[M+FA]-,15.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508169,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,368.10341,[M+FA]-,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508170,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,368.10341,[M+FA]-,60.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508171,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,368.10341,[M+FA]-,15.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508172,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,368.10341,[M+FA]-,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508173,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,324.11249,[M+H]+,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508174,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,324.11249,[M+H]+,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508175,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,324.11249,[M+H]+,60.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508176,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,324.11249,[M+H]+,30.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508177,Cn1nnnc1-c1cc(S(=O)(=O)N2CCC(CO)C2)ccc1,324.11249,[M+H]+,20.0,test,Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(CO)C2)c1
508178,CCOc1cc2c(C)nc(NC(N)=NS(C)(=O)=O)nc2cc1,324.11249,[M+H]+,20.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508179,CCOc1cc2c(C)nc(NC(N)=NS(C)(=O)=O)nc2cc1,324.11249,[M+H]+,20.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508180,CCOc1cc2c(C)nc(NC(N)=NS(C)(=O)=O)nc2cc1,324.11249,[M+H]+,60.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508181,CCOc1cc2c(C)nc(NC(N)=NS(C)(=O)=O)nc2cc1,324.11249,[M+H]+,15.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508182,CCOc1cc2c(C)nc(NC(N)=NS(C)(=O)=O)nc2cc1,324.11249,[M+H]+,20.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508183,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1,324.11249,[M+H]+,20.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508184,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1,324.11249,[M+H]+,20.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508185,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1,324.11249,[M+H]+,60.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508186,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1,324.11249,[M+H]+,30.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508187,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1,324.11249,[M+H]+,20.0,test,CCOc1ccc2nc(NC(N)=NS(C)(=O)=O)nc(C)c2c1
508188,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508189,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508190,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,60.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508191,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,30.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508192,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508193,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,45.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508194,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,45.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508195,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508196,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,60.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508197,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,45.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508198,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508199,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508200,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,60.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508201,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,30.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508202,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508203,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,60.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508204,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,30.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508205,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,434.04458,[M-H]-,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508206,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508207,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508208,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,30.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508209,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,60.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508210,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,15.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508211,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508212,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,60.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508213,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,436.05913,[M+H]+,20.0,test,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
508214,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1,316.06718,[M+H]+,20.0,test,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1
508215,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1,316.06718,[M+H]+,20.0,test,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1
508216,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1,316.06718,[M+H]+,60.0,test,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1
508217,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1,316.06718,[M+H]+,30.0,test,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1
508218,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1,316.06718,[M+H]+,20.0,test,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)C2CC2)C1
508219,N[C@@H]1c2ccccc2CC12CCNCC2,203.15427,[M+H]+,20.0,test,N[C@@H]1c2ccccc2CC12CCNCC2
508220,N[C@@H]1c2ccccc2CC12CCNCC2,203.15427,[M+H]+,20.0,test,N[C@@H]1c2ccccc2CC12CCNCC2
508221,N[C@@H]1c2ccccc2CC12CCNCC2,203.15427,[M+H]+,60.0,test,N[C@@H]1c2ccccc2CC12CCNCC2
508222,N[C@@H]1c2ccccc2CC12CCNCC2,203.15427,[M+H]+,15.0,test,N[C@@H]1c2ccccc2CC12CCNCC2
508223,N[C@@H]1c2ccccc2CC12CCNCC2,203.15427,[M+H]+,20.0,test,N[C@@H]1c2ccccc2CC12CCNCC2
508224,c1ccc(CN2CC3(CCCN3)C2)cc1,203.15427,[M+H]+,20.0,test,c1ccc(CN2CC3(CCCN3)C2)cc1
508225,c1ccc(CN2CC3(CCCN3)C2)cc1,203.15427,[M+H]+,20.0,test,c1ccc(CN2CC3(CCCN3)C2)cc1
508226,c1ccc(CN2CC3(CCCN3)C2)cc1,203.15427,[M+H]+,60.0,test,c1ccc(CN2CC3(CCCN3)C2)cc1
508227,c1ccc(CN2CC3(CCCN3)C2)cc1,203.15427,[M+H]+,30.0,test,c1ccc(CN2CC3(CCCN3)C2)cc1
508228,c1ccc(CN2CC3(CCCN3)C2)cc1,203.15427,[M+H]+,20.0,test,c1ccc(CN2CC3(CCCN3)C2)cc1
508229,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,329.08128,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508230,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,329.08128,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508231,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,329.08128,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508232,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,329.08128,[M-H]-,30.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508233,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,329.08128,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508234,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,329.08128,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508235,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,329.08128,[M-H]-,30.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508236,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,329.08128,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508237,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,329.08128,[M-H]-,20.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508238,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,329.08128,[M-H]-,20.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508239,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,329.08128,[M-H]-,60.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508240,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,329.08128,[M-H]-,30.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508241,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,329.08128,[M-H]-,20.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508242,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,329.08128,[M-H]-,60.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508243,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,329.08128,[M-H]-,30.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508244,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,329.08128,[M-H]-,20.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508245,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,329.08128,[M-H]-,20.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508246,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,329.08128,[M-H]-,20.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508247,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,329.08128,[M-H]-,60.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508248,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,329.08128,[M-H]-,15.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508249,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,329.08128,[M-H]-,20.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508250,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,331.09583,[M+H]+,20.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508251,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,331.09583,[M+H]+,20.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508252,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,331.09583,[M+H]+,60.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508253,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,331.09583,[M+H]+,30.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508254,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,331.09583,[M+H]+,20.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508255,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,331.09583,[M+H]+,60.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508256,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,331.09583,[M+H]+,30.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508257,COc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cnc1,331.09583,[M+H]+,20.0,test,COc1cncc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1
508258,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,331.09583,[M+H]+,20.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508259,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,331.09583,[M+H]+,20.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508260,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,331.09583,[M+H]+,60.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508261,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,331.09583,[M+H]+,15.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508262,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,331.09583,[M+H]+,20.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508263,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,331.09583,[M+H]+,60.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508264,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,331.09583,[M+H]+,15.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508265,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O,331.09583,[M+H]+,20.0,test,COC(C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O
508266,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,331.09583,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508267,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,331.09583,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508268,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,331.09583,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508269,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,331.09583,[M+H]+,15.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508270,COc1c(C(N)=O)cc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1,331.09583,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NC(C)(C)CC(=O)O)cc1C(N)=O
508271,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1,331.09583,[M+H]+,15.0,test,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1
508272,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1,331.09583,[M+H]+,15.0,test,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1
508273,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1,331.09583,[M+H]+,20.0,test,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1
508274,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1,331.09583,[M+H]+,60.0,test,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1
508275,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1,331.09583,[M+H]+,15.0,test,Cc1cc(=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)co1
508276,N#Cc1ncc(N2CCC(CCN)CC2)cc1,231.16042,[M+H]+,20.0,test,N#Cc1ccc(N2CCC(CCN)CC2)cn1
508277,N#Cc1ncc(N2CCC(CCN)CC2)cc1,231.16042,[M+H]+,20.0,test,N#Cc1ccc(N2CCC(CCN)CC2)cn1
508278,N#Cc1ncc(N2CCC(CCN)CC2)cc1,231.16042,[M+H]+,30.0,test,N#Cc1ccc(N2CCC(CCN)CC2)cn1
508279,N#Cc1ncc(N2CCC(CCN)CC2)cc1,231.16042,[M+H]+,60.0,test,N#Cc1ccc(N2CCC(CCN)CC2)cn1
508280,N#Cc1ncc(N2CCC(CCN)CC2)cc1,231.16042,[M+H]+,15.0,test,N#Cc1ccc(N2CCC(CCN)CC2)cn1
508281,N#Cc1ncc(N2CCC(CCN)CC2)cc1,231.16042,[M+H]+,20.0,test,N#Cc1ccc(N2CCC(CCN)CC2)cn1
508282,N#Cc1ncc(N2CCC(CCN)CC2)cc1,231.16042,[M+H]+,60.0,test,N#Cc1ccc(N2CCC(CCN)CC2)cn1
508283,N#Cc1ncc(N2CCC(CCN)CC2)cc1,231.16042,[M+H]+,20.0,test,N#Cc1ccc(N2CCC(CCN)CC2)cn1
508284,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,341.07476,[M-H]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508285,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,341.07476,[M-H]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508286,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,341.07476,[M-H]-,60.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508287,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,341.07476,[M-H]-,30.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508288,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,341.07476,[M-H]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508289,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,341.07476,[M-H]-,60.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508290,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,341.07476,[M-H]-,30.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508291,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,341.07476,[M-H]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508292,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,377.05143,[M+Cl]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508293,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,377.05143,[M+Cl]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508294,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,377.05143,[M+Cl]-,60.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508295,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,377.05143,[M+Cl]-,15.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508296,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,377.05143,[M+Cl]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508297,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,387.08023,[M+FA]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508298,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,387.08023,[M+FA]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508299,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,387.08023,[M+FA]-,60.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508300,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,387.08023,[M+FA]-,15.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508301,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,387.08023,[M+FA]-,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508302,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,343.08931,[M+H]+,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508303,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,343.08931,[M+H]+,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508304,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,343.08931,[M+H]+,60.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508305,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,343.08931,[M+H]+,30.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508306,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,343.08931,[M+H]+,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508307,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,343.08931,[M+H]+,60.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508308,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,343.08931,[M+H]+,30.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508309,Cc1c(C(=O)NCCCn2ccnc2C)sc(S(N)(=O)=O)c1,343.08931,[M+H]+,20.0,test,Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCn1ccnc1C
508310,COc1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1,347.09837,[M+FA]-,20.0,test,COc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1
508311,COc1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1,347.09837,[M+FA]-,20.0,test,COc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1
508312,COc1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1,347.09837,[M+FA]-,60.0,test,COc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1
508313,COc1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1,347.09837,[M+FA]-,15.0,test,COc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1
508314,COc1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1,347.09837,[M+FA]-,20.0,test,COc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1
508315,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O,301.09289,[M-H]-,20.0,test,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O
508316,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O,301.09289,[M-H]-,20.0,test,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O
508317,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O,301.09289,[M-H]-,60.0,test,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O
508318,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O,301.09289,[M-H]-,15.0,test,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O
508319,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O,301.09289,[M-H]-,20.0,test,C=C(C(=O)O)C(CCCCCCOC(=O)C(=O)O)C(=O)O
508320,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br,379.03217,[M+H]+,30.0,test,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br
508321,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br,379.03217,[M+H]+,30.0,test,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br
508322,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br,379.03217,[M+H]+,20.0,test,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br
508323,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br,379.03217,[M+H]+,60.0,test,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br
508324,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br,379.03217,[M+H]+,30.0,test,COc1cc(S(=O)(=O)NC2CCCNC2)c(OC)cc1Br
508325,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,328.10043,[M-H]-,20.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508326,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,328.10043,[M-H]-,20.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508327,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,328.10043,[M-H]-,60.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508328,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,328.10043,[M-H]-,30.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508329,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,328.10043,[M-H]-,20.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508330,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,328.10043,[M-H]-,30.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508331,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,328.10043,[M-H]-,20.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508332,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,328.10043,[M-H]-,60.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508333,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,330.11498,[M+H]+,20.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508334,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,330.11498,[M+H]+,20.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508335,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,330.11498,[M+H]+,60.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508336,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,330.11498,[M+H]+,15.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508337,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl,330.11498,[M+H]+,20.0,test,Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl
508338,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,283.11219,[M-H]-,20.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508339,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,283.11219,[M-H]-,20.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508340,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,283.11219,[M-H]-,60.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508341,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,283.11219,[M-H]-,20.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508342,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,283.11219,[M-H]-,45.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508343,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,329.11767,[M+FA]-,20.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508344,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,329.11767,[M+FA]-,20.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508345,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,329.11767,[M+FA]-,60.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508346,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,329.11767,[M+FA]-,15.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508347,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,329.11767,[M+FA]-,20.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508348,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,285.12674,[M+H]+,30.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508349,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,285.12674,[M+H]+,30.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508350,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,285.12674,[M+H]+,20.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508351,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,285.12674,[M+H]+,60.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508352,Cc1c(C(=O)N2CCCC(S(C)(=O)=O)CC2)cc[nH]1,285.12674,[M+H]+,30.0,test,Cc1[nH]ccc1C(=O)N1CCCC(S(C)(=O)=O)CC1
508353,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,20.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508354,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,20.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508355,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,60.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508356,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,15.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508357,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,20.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508358,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,60.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508359,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,15.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508360,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,20.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508361,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,20.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508362,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,20.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508363,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,60.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508364,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,15.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508365,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,20.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508366,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,60.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508367,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,15.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508368,CCCNC(C)C(=O)Nc1c(C(=O)OC)scc1C,285.12674,[M+H]+,20.0,test,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
508369,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508370,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508371,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,60.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508372,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,30.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508373,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508374,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,60.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508375,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,30.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508376,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508377,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,359.124,[M+Cl]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508378,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,359.124,[M+Cl]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508379,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,359.124,[M+Cl]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508380,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508381,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508382,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,60.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508383,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,30.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508384,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508385,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508386,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508387,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,60.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508388,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,30.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508389,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,323.14733,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508390,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,359.124,[M+Cl]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508391,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,359.124,[M+Cl]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508392,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,359.124,[M+Cl]-,60.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508393,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,359.124,[M+Cl]-,15.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508394,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,359.124,[M+Cl]-,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508395,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508396,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508397,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,60.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508398,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,30.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508399,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508400,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,60.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508401,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,30.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508402,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O,325.16188,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
508403,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508404,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508405,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,60.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508406,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,15.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508407,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508408,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508409,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508410,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,60.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508411,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,15.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508412,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,303.09078,[M-H]-,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508413,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,322.13188,[M+NH4]+,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508414,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,322.13188,[M+NH4]+,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508415,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,322.13188,[M+NH4]+,60.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508416,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,322.13188,[M+NH4]+,15.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508417,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1,322.13188,[M+NH4]+,20.0,test,CC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
508418,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,285.1456,[M-H]-,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508419,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,285.1456,[M-H]-,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508420,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,285.1456,[M-H]-,60.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508421,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,285.1456,[M-H]-,30.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508422,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,285.1456,[M-H]-,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508423,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,285.1456,[M-H]-,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508424,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,285.1456,[M-H]-,30.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508425,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,285.1456,[M-H]-,60.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508426,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,287.16015,[M+H]+,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508427,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,287.16015,[M+H]+,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508428,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,287.16015,[M+H]+,60.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508429,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,287.16015,[M+H]+,15.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508430,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,287.16015,[M+H]+,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508431,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,309.14209,[M+Na]+,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508432,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,309.14209,[M+Na]+,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508433,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,309.14209,[M+Na]+,60.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508434,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,309.14209,[M+Na]+,30.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508435,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O,309.14209,[M+Na]+,20.0,test,C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O
508436,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,345.10606,[M-H]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508437,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,345.10606,[M-H]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508438,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,345.10606,[M-H]-,60.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508439,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,345.10606,[M-H]-,30.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508440,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,345.10606,[M-H]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508441,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,345.10606,[M-H]-,60.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508442,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,345.10606,[M-H]-,30.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508443,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,345.10606,[M-H]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508444,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,381.08273,[M+Cl]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508445,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,381.08273,[M+Cl]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508446,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,381.08273,[M+Cl]-,60.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508447,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,381.08273,[M+Cl]-,15.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508448,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,381.08273,[M+Cl]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508449,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,391.11154,[M+FA]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508450,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,391.11154,[M+FA]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508451,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,391.11154,[M+FA]-,60.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508452,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,391.11154,[M+FA]-,15.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508453,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,391.11154,[M+FA]-,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508454,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,329.11005,[M+H-H2O]+,45.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508455,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,329.11005,[M+H-H2O]+,45.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508456,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,329.11005,[M+H-H2O]+,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508457,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,329.11005,[M+H-H2O]+,60.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508458,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,329.11005,[M+H-H2O]+,45.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508459,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,347.12061,[M+H]+,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508460,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,347.12061,[M+H]+,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508461,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,347.12061,[M+H]+,60.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508462,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,347.12061,[M+H]+,30.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508463,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,347.12061,[M+H]+,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508464,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,347.12061,[M+H]+,60.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508465,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,347.12061,[M+H]+,30.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508466,CSCC(C)(O)CNc1nnc(S(=O)(=O)NCC2CC2)cc1,347.12061,[M+H]+,20.0,test,CSCC(C)(O)CNc1ccc(S(=O)(=O)NCC2CC2)nn1
508467,C#CCOCCOCCOCC(=O)OC(C)(C)C,276.18055,[M+NH4]+,15.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508468,C#CCOCCOCCOCC(=O)OC(C)(C)C,276.18055,[M+NH4]+,15.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508469,C#CCOCCOCCOCC(=O)OC(C)(C)C,276.18055,[M+NH4]+,20.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508470,C#CCOCCOCCOCC(=O)OC(C)(C)C,276.18055,[M+NH4]+,60.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508471,C#CCOCCOCCOCC(=O)OC(C)(C)C,276.18055,[M+NH4]+,15.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508472,C#CCOCCOCCOCC(=O)OC(C)(C)C,281.13594,[M+Na]+,20.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508473,C#CCOCCOCCOCC(=O)OC(C)(C)C,281.13594,[M+Na]+,20.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508474,C#CCOCCOCCOCC(=O)OC(C)(C)C,281.13594,[M+Na]+,15.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508475,C#CCOCCOCCOCC(=O)OC(C)(C)C,281.13594,[M+Na]+,20.0,test,C#CCOCCOCCOCC(=O)OC(C)(C)C
508476,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1,318.13045,[M+H]+,20.0,test,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1
508477,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1,318.13045,[M+H]+,20.0,test,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1
508478,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1,318.13045,[M+H]+,60.0,test,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1
508479,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1,318.13045,[M+H]+,20.0,test,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1
508480,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1,318.13045,[M+H]+,45.0,test,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1
508481,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1,318.13045,[M+H]+,60.0,test,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1
508482,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1,318.13045,[M+H]+,20.0,test,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1
508483,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1,318.13045,[M+H]+,45.0,test,Cc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCCC2)s1
508484,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1,318.13045,[M+H]+,20.0,test,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1
508485,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1,318.13045,[M+H]+,20.0,test,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1
508486,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1,318.13045,[M+H]+,60.0,test,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1
508487,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1,318.13045,[M+H]+,20.0,test,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1
508488,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1,318.13045,[M+H]+,45.0,test,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1
508489,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1,318.13045,[M+H]+,60.0,test,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1
508490,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1,318.13045,[M+H]+,20.0,test,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1
508491,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1,318.13045,[M+H]+,45.0,test,CCC1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1
508492,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1,318.13045,[M+H]+,20.0,test,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1
508493,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1,318.13045,[M+H]+,20.0,test,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1
508494,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1,318.13045,[M+H]+,45.0,test,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1
508495,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1,318.13045,[M+H]+,60.0,test,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1
508496,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1,318.13045,[M+H]+,20.0,test,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1
508497,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1,318.13045,[M+H]+,20.0,test,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1
508498,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1,318.13045,[M+H]+,45.0,test,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1
508499,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1,318.13045,[M+H]+,60.0,test,CCCCS(=O)(=O)N1CCC(c2nnc(CC)s2)CC1
508500,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,264.18298,[M-H]-,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508501,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,264.18298,[M-H]-,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508502,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,264.18298,[M-H]-,60.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508503,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,264.18298,[M-H]-,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508504,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,264.18298,[M-H]-,45.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508505,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,264.18298,[M-H]-,60.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508506,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,264.18298,[M-H]-,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508507,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,264.18298,[M-H]-,45.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508508,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,300.15966,[M+Cl]-,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508509,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,300.15966,[M+Cl]-,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508510,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,300.15966,[M+Cl]-,60.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508511,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,300.15966,[M+Cl]-,15.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508512,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,300.15966,[M+Cl]-,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508513,Cc1c(C)nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nn1,266.19754,[M+H]+,20.0,test,Cc1nnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C
508514,Cc1c(C)nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nn1,266.19754,[M+H]+,20.0,test,Cc1nnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C
508515,Cc1c(C)nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nn1,266.19754,[M+H]+,60.0,test,Cc1nnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C
508516,Cc1c(C)nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nn1,266.19754,[M+H]+,30.0,test,Cc1nnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C
508517,Cc1c(C)nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nn1,266.19754,[M+H]+,20.0,test,Cc1nnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C
508518,Cc1c(C)nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nn1,266.19754,[M+H]+,60.0,test,Cc1nnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C
508519,Cc1c(C)nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nn1,266.19754,[M+H]+,30.0,test,Cc1nnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C
508520,Cc1c(C)nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nn1,266.19754,[M+H]+,20.0,test,Cc1nnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C
508521,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,266.19754,[M+H]+,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508522,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,266.19754,[M+H]+,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508523,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,266.19754,[M+H]+,60.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508524,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,266.19754,[M+H]+,30.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508525,CC(CN(C)C(=O)C1CCCC1(C)C)c1n[nH]nn1,266.19754,[M+H]+,20.0,test,CC(CN(C)C(=O)C1CCCC1(C)C)c1nn[nH]n1
508526,NCCn1cc(C(=O)NCCC2CCCCC2)nn1,266.19754,[M+H]+,20.0,test,NCCn1cc(C(=O)NCCC2CCCCC2)nn1
508527,NCCn1cc(C(=O)NCCC2CCCCC2)nn1,266.19754,[M+H]+,20.0,test,NCCn1cc(C(=O)NCCC2CCCCC2)nn1
508528,NCCn1cc(C(=O)NCCC2CCCCC2)nn1,266.19754,[M+H]+,60.0,test,NCCn1cc(C(=O)NCCC2CCCCC2)nn1
508529,NCCn1cc(C(=O)NCCC2CCCCC2)nn1,266.19754,[M+H]+,30.0,test,NCCn1cc(C(=O)NCCC2CCCCC2)nn1
508530,NCCn1cc(C(=O)NCCC2CCCCC2)nn1,266.19754,[M+H]+,20.0,test,NCCn1cc(C(=O)NCCC2CCCCC2)nn1
508531,CCCCCCNc1nc(NC(C)(C)CO)nc(Cl)n1,302.17421,[M+H]+,20.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508532,CCCCCCNc1nc(NC(C)(C)CO)nc(Cl)n1,302.17421,[M+H]+,20.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508533,CCCCCCNc1nc(NC(C)(C)CO)nc(Cl)n1,302.17421,[M+H]+,60.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508534,CCCCCCNc1nc(NC(C)(C)CO)nc(Cl)n1,302.17421,[M+H]+,30.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508535,CCCCCCNc1nc(NC(C)(C)CO)nc(Cl)n1,302.17421,[M+H]+,20.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508536,CCCCCCNc1nc(NC(C)(C)CO)nc(Cl)n1,302.17421,[M+H]+,60.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508537,CCCCCCNc1nc(NC(C)(C)CO)nc(Cl)n1,302.17421,[M+H]+,30.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508538,CCCCCCNc1nc(NC(C)(C)CO)nc(Cl)n1,302.17421,[M+H]+,20.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508539,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1,302.17421,[M+H]+,20.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508540,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1,302.17421,[M+H]+,20.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508541,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1,302.17421,[M+H]+,60.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508542,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1,302.17421,[M+H]+,30.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508543,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1,302.17421,[M+H]+,20.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508544,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1,302.17421,[M+H]+,30.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508545,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1,302.17421,[M+H]+,20.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508546,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1,302.17421,[M+H]+,60.0,test,CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
508547,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,333.1591,[M+H]+,20.0,test,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
508548,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,333.1591,[M+H]+,20.0,test,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
508549,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,333.1591,[M+H]+,30.0,test,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
508550,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,333.1591,[M+H]+,60.0,test,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
508551,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,333.1591,[M+H]+,15.0,test,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
508552,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,333.1591,[M+H]+,20.0,test,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
508553,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,333.1591,[M+H]+,60.0,test,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
508554,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,333.1591,[M+H]+,20.0,test,CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
508555,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,315.14854,[M+H-H2O]+,20.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508556,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,315.14854,[M+H-H2O]+,60.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508557,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,315.14854,[M+H-H2O]+,20.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508558,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,315.14854,[M+H-H2O]+,20.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508559,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,333.1591,[M+H]+,20.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508560,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,333.1591,[M+H]+,20.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508561,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,333.1591,[M+H]+,60.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508562,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,333.1591,[M+H]+,30.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508563,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,333.1591,[M+H]+,20.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508564,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,333.1591,[M+H]+,60.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508565,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,333.1591,[M+H]+,30.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508566,Cc1c(S(=O)(=O)N2CCN(CC(C)(C)O)C(C)C2)c(N)no1,333.1591,[M+H]+,20.0,test,Cc1onc(N)c1S(=O)(=O)N1CCN(CC(C)(C)O)C(C)C1
508567,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,20.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508568,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,20.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508569,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,60.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508570,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,15.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508571,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,20.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508572,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,45.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508573,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,60.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508574,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,20.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508575,CCNC(=O)C1CC(C)CCC1C(C)C,212.20089,[M+H]+,45.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508576,CCNC(=O)C1CC(C)CCC1C(C)C,234.18283,[M+Na]+,20.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508577,CCNC(=O)C1CC(C)CCC1C(C)C,234.18283,[M+Na]+,20.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508578,CCNC(=O)C1CC(C)CCC1C(C)C,234.18283,[M+Na]+,60.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508579,CCNC(=O)C1CC(C)CCC1C(C)C,234.18283,[M+Na]+,30.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508580,CCNC(=O)C1CC(C)CCC1C(C)C,234.18283,[M+Na]+,20.0,test,CCNC(=O)C1CC(C)CCC1C(C)C
508581,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,285.19911,[M-H]-,20.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508582,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,285.19911,[M-H]-,20.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508583,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,285.19911,[M-H]-,60.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508584,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,251.19254,[M+H-2H2O]+,20.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508585,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,251.19254,[M+H-2H2O]+,20.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508586,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,251.19254,[M+H-2H2O]+,60.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508587,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,251.19254,[M+H-2H2O]+,20.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508588,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,251.19254,[M+H-2H2O]+,45.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508589,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,269.2031,[M+H-H2O]+,30.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508590,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,269.2031,[M+H-H2O]+,30.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508591,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,269.2031,[M+H-H2O]+,20.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508592,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,269.2031,[M+H-H2O]+,60.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508593,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O,269.2031,[M+H-H2O]+,30.0,test,N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O
508594,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508595,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508596,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,60.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508597,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,30.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508598,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508599,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,30.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508600,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508601,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508602,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508603,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,60.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508604,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,30.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508605,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508606,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,60.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508607,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,30.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508608,COc1c(F)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,369.99781,[M-H]-,20.0,test,COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
508609,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2,308.98392,[M-H]-,20.0,test,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2
508610,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2,308.98392,[M-H]-,20.0,test,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2
508611,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2,310.99847,[M+H]+,20.0,test,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2
508612,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2,310.99847,[M+H]+,20.0,test,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2
508613,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2,310.99847,[M+H]+,60.0,test,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2
508614,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2,310.99847,[M+H]+,30.0,test,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2
508615,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2,310.99847,[M+H]+,20.0,test,O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2
508616,Clc1cccc(Cl)c1CSc1nnc(-c2nccnc2)s1,354.96402,[M+H]+,20.0,test,Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
508617,Clc1cccc(Cl)c1CSc1nnc(-c2nccnc2)s1,354.96402,[M+H]+,20.0,test,Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
508618,Clc1cccc(Cl)c1CSc1nnc(-c2nccnc2)s1,354.96402,[M+H]+,60.0,test,Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
508619,Clc1cccc(Cl)c1CSc1nnc(-c2nccnc2)s1,354.96402,[M+H]+,30.0,test,Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
508620,Clc1cccc(Cl)c1CSc1nnc(-c2nccnc2)s1,354.96402,[M+H]+,20.0,test,Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
508621,Clc1cccc(Cl)c1CSc1nnc(-c2nccnc2)s1,354.96402,[M+H]+,60.0,test,Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
508622,Clc1cccc(Cl)c1CSc1nnc(-c2nccnc2)s1,354.96402,[M+H]+,30.0,test,Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
508623,Clc1cccc(Cl)c1CSc1nnc(-c2nccnc2)s1,354.96402,[M+H]+,20.0,test,Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
508624,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,346.9318,[M-H]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508625,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,346.9318,[M-H]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508626,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,346.9318,[M-H]-,60.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508627,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,346.9318,[M-H]-,15.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508628,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,346.9318,[M-H]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508629,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,346.9318,[M-H]-,60.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508630,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,346.9318,[M-H]-,15.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508631,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,346.9318,[M-H]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508632,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,382.90848,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508633,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,382.90848,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508634,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,382.90848,[M+Cl]-,15.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508635,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,382.90848,[M+Cl]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508636,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,392.93728,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508637,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,392.93728,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508638,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,392.93728,[M+FA]-,60.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508639,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,392.93728,[M+FA]-,15.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508640,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,392.93728,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508641,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,392.93728,[M+FA]-,60.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508642,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,392.93728,[M+FA]-,15.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508643,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,392.93728,[M+FA]-,20.0,test,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
508644,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,303.9953,[M-H]-,20.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508645,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,303.9953,[M-H]-,20.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508646,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,303.9953,[M-H]-,45.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508647,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,303.9953,[M-H]-,60.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508648,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,303.9953,[M-H]-,20.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508649,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,303.9953,[M-H]-,45.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508650,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,303.9953,[M-H]-,20.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508651,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,303.9953,[M-H]-,60.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508652,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1,306.00985,[M+H]+,20.0,test,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1
508653,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1,306.00985,[M+H]+,20.0,test,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1
508654,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1,306.00985,[M+H]+,60.0,test,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1
508655,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1,306.00985,[M+H]+,15.0,test,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1
508656,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1,306.00985,[M+H]+,20.0,test,O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1
508657,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,306.00985,[M+H]+,20.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508658,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,306.00985,[M+H]+,20.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508659,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,306.00985,[M+H]+,60.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508660,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,306.00985,[M+H]+,30.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508661,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O,306.00985,[M+H]+,20.0,test,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O
508662,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12,259.02481,[M-H]-,20.0,test,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12
508663,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12,259.02481,[M-H]-,20.0,test,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12
508664,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12,259.02481,[M-H]-,60.0,test,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12
508665,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12,259.02481,[M-H]-,20.0,test,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12
508666,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12,259.02481,[M-H]-,20.0,test,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12
508667,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12,259.02481,[M-H]-,60.0,test,O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12
508668,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,259.02481,[M-H]-,20.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508669,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,259.02481,[M-H]-,20.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508670,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,259.02481,[M-H]-,60.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508671,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,259.02481,[M-H]-,20.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508672,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,259.02481,[M-H]-,20.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508673,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,259.02481,[M-H]-,60.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508674,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,261.03936,[M+H]+,20.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508675,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,261.03936,[M+H]+,20.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508676,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,261.03936,[M+H]+,60.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508677,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,261.03936,[M+H]+,20.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508678,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,261.03936,[M+H]+,20.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508679,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,261.03936,[M+H]+,60.0,test,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
508680,O=C(O)c1c(O)c(Br)cc(-c2ccccc2)c1,290.96623,[M-H]-,20.0,test,O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
508681,O=C(O)c1c(O)c(Br)cc(-c2ccccc2)c1,290.96623,[M-H]-,20.0,test,O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
508682,O=C(O)c1c(O)c(Br)cc(-c2ccccc2)c1,290.96623,[M-H]-,60.0,test,O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
508683,O=C(O)c1c(O)c(Br)cc(-c2ccccc2)c1,290.96623,[M-H]-,30.0,test,O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
508684,O=C(O)c1c(O)c(Br)cc(-c2ccccc2)c1,290.96623,[M-H]-,20.0,test,O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
508685,O=C(O)c1c(O)c(Br)cc(-c2ccccc2)c1,290.96623,[M-H]-,60.0,test,O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
508686,O=C(O)c1c(O)c(Br)cc(-c2ccccc2)c1,290.96623,[M-H]-,30.0,test,O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
508687,O=C(O)c1c(O)c(Br)cc(-c2ccccc2)c1,290.96623,[M-H]-,20.0,test,O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
508688,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,308.02437,[M-H]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508689,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,308.02437,[M-H]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508690,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,308.02437,[M-H]-,60.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508691,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,308.02437,[M-H]-,15.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508692,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,344.00105,[M+Cl]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508693,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,344.00105,[M+Cl]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508694,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,344.00105,[M+Cl]-,60.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508695,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,344.00105,[M+Cl]-,15.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508696,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,344.00105,[M+Cl]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508697,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,354.02985,[M+FA]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508698,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,354.02985,[M+FA]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508699,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,354.02985,[M+FA]-,60.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508700,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,354.02985,[M+FA]-,15.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508701,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,354.02985,[M+FA]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508702,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,354.02985,[M+FA]-,60.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508703,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,354.02985,[M+FA]-,15.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508704,O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(Cl)cc1,354.02985,[M+FA]-,20.0,test,O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
508705,COC(=O)c1nccnc1NC(=O)c1c(F)ccc(Cl)c1,310.03892,[M+H]+,20.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508706,COC(=O)c1nccnc1NC(=O)c1c(F)ccc(Cl)c1,310.03892,[M+H]+,20.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508707,COC(=O)c1nccnc1NC(=O)c1c(F)ccc(Cl)c1,310.03892,[M+H]+,60.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508708,COC(=O)c1nccnc1NC(=O)c1c(F)ccc(Cl)c1,310.03892,[M+H]+,30.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508709,COC(=O)c1nccnc1NC(=O)c1c(F)ccc(Cl)c1,310.03892,[M+H]+,20.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508710,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F,310.03892,[M+H]+,20.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508711,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F,310.03892,[M+H]+,20.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508712,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F,310.03892,[M+H]+,60.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508713,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F,310.03892,[M+H]+,15.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508714,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F,310.03892,[M+H]+,20.0,test,COC(=O)c1nccnc1NC(=O)c1cc(Cl)ccc1F
508715,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,282.03278,[M+H]+,20.0,test,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
508716,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,282.03278,[M+H]+,20.0,test,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
508717,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,282.03278,[M+H]+,60.0,test,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
508718,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,282.03278,[M+H]+,15.0,test,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
508719,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,282.03278,[M+H]+,20.0,test,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
508720,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,282.03278,[M+H]+,45.0,test,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
508721,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,282.03278,[M+H]+,60.0,test,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
508722,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,282.03278,[M+H]+,20.0,test,O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
508723,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,338.07828,[M-H]-,20.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508724,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,338.07828,[M-H]-,20.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508725,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,338.07828,[M-H]-,60.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508726,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,338.07828,[M-H]-,30.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508727,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,338.07828,[M-H]-,20.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508728,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,338.07828,[M-H]-,30.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508729,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,338.07828,[M-H]-,20.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508730,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,338.07828,[M-H]-,60.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508731,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,340.09283,[M+H]+,20.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508732,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,340.09283,[M+H]+,20.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508733,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,340.09283,[M+H]+,60.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508734,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,340.09283,[M+H]+,30.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508735,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,340.09283,[M+H]+,20.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508736,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,340.09283,[M+H]+,30.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508737,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,340.09283,[M+H]+,20.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508738,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1,340.09283,[M+H]+,60.0,test,CNc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1
508739,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,303.03575,[M-H]-,20.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508740,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,303.03575,[M-H]-,20.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508741,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,303.03575,[M-H]-,60.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508742,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,303.03575,[M-H]-,15.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508743,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,303.03575,[M-H]-,20.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508744,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,339.01243,[M+Cl]-,20.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508745,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,339.01243,[M+Cl]-,60.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508746,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,339.01243,[M+Cl]-,15.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508747,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,349.04123,[M+FA]-,20.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508748,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,349.04123,[M+FA]-,20.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508749,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,349.04123,[M+FA]-,60.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508750,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,349.04123,[M+FA]-,15.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508751,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,349.04123,[M+FA]-,20.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508752,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,305.0503,[M+H]+,30.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508753,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,305.0503,[M+H]+,30.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508754,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,305.0503,[M+H]+,30.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508755,NC(=O)Cn1cnc2c(snc2-c2ccc(F)cc2)c1=O,305.0503,[M+H]+,30.0,test,NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O
508756,O=c1c2ccccc2[se]n1-c1ccccc1,275.99221,[M+H]+,45.0,test,O=c1c2ccccc2[se]n1-c1ccccc1
508757,O=c1c2ccccc2[se]n1-c1ccccc1,275.99221,[M+H]+,45.0,test,O=c1c2ccccc2[se]n1-c1ccccc1
508758,O=c1c2ccccc2[se]n1-c1ccccc1,275.99221,[M+H]+,60.0,test,O=c1c2ccccc2[se]n1-c1ccccc1
508759,O=c1c2ccccc2[se]n1-c1ccccc1,275.99221,[M+H]+,20.0,test,O=c1c2ccccc2[se]n1-c1ccccc1
508760,O=c1c2ccccc2[se]n1-c1ccccc1,275.99221,[M+H]+,45.0,test,O=c1c2ccccc2[se]n1-c1ccccc1
508761,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1,321.97687,[M-H]-,20.0,test,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1
508762,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1,321.97687,[M-H]-,20.0,test,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1
508763,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1,321.97687,[M-H]-,60.0,test,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1
508764,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1,321.97687,[M-H]-,30.0,test,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1
508765,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1,321.97687,[M-H]-,20.0,test,O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1
508766,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,290.02256,[M-H]-,20.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508767,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,290.02256,[M-H]-,20.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508768,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,290.02256,[M-H]-,60.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508769,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,290.02256,[M-H]-,30.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508770,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,290.02256,[M-H]-,20.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508771,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,290.02256,[M-H]-,60.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508772,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,290.02256,[M-H]-,30.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508773,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,290.02256,[M-H]-,20.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508774,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,292.03711,[M+H]+,20.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508775,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,292.03711,[M+H]+,20.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508776,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,292.03711,[M+H]+,60.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508777,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,292.03711,[M+H]+,15.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508778,O=C(O)c1ccccc1Nc1c(C(=O)O)ccc(Cl)c1,292.03711,[M+H]+,20.0,test,O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
508779,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,314.05173,[M-H]-,20.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508780,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,314.05173,[M-H]-,20.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508781,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,314.05173,[M-H]-,30.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508782,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,314.05173,[M-H]-,60.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508783,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,314.05173,[M-H]-,20.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508784,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,314.05173,[M-H]-,45.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508785,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,314.05173,[M-H]-,60.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508786,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,314.05173,[M-H]-,20.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508787,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,316.06628,[M+H]+,20.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508788,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,316.06628,[M+H]+,20.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508789,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,316.06628,[M+H]+,45.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508790,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,316.06628,[M+H]+,60.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508791,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1,316.06628,[M+H]+,20.0,test,Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1
508792,Cc1noc(C(=O)Nc2cc3c(cc2)oc(C(=O)O)c3)c1,285.05169,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)on1
508793,Cc1noc(C(=O)Nc2cc3c(cc2)oc(C(=O)O)c3)c1,285.05169,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)on1
508794,Cc1noc(C(=O)Nc2cc3c(cc2)oc(C(=O)O)c3)c1,285.05169,[M-H]-,60.0,test,Cc1cc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)on1
508795,Cc1noc(C(=O)Nc2cc3c(cc2)oc(C(=O)O)c3)c1,285.05169,[M-H]-,15.0,test,Cc1cc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)on1
508796,Cc1noc(C(=O)Nc2cc3c(cc2)oc(C(=O)O)c3)c1,285.05169,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)on1
508797,Cc1noc(C(=O)Nc2cc3c(cc2)oc(C(=O)O)c3)c1,285.05169,[M-H]-,60.0,test,Cc1cc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)on1
508798,Cc1noc(C(=O)Nc2cc3c(cc2)oc(C(=O)O)c3)c1,285.05169,[M-H]-,15.0,test,Cc1cc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)on1
508799,Cc1noc(C(=O)Nc2cc3c(cc2)oc(C(=O)O)c3)c1,285.05169,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)on1
508800,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2,335.00258,[M+H]+,20.0,test,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2
508801,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2,335.00258,[M+H]+,20.0,test,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2
508802,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2,335.00258,[M+H]+,60.0,test,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2
508803,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2,335.00258,[M+H]+,30.0,test,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2
508804,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2,335.00258,[M+H]+,20.0,test,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2
508805,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2,335.00258,[M+H]+,30.0,test,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2
508806,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2,335.00258,[M+H]+,20.0,test,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2
508807,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2,335.00258,[M+H]+,60.0,test,O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2
508808,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,337.99271,[M-H]-,20.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508809,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,337.99271,[M-H]-,20.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508810,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,337.99271,[M-H]-,60.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508811,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,337.99271,[M-H]-,30.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508812,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,337.99271,[M-H]-,20.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508813,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,340.00726,[M+H]+,20.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508814,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,340.00726,[M+H]+,20.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508815,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,340.00726,[M+H]+,60.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508816,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,340.00726,[M+H]+,15.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508817,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,340.00726,[M+H]+,20.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508818,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,340.00726,[M+H]+,60.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508819,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,340.00726,[M+H]+,15.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508820,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1,340.00726,[M+H]+,20.0,test,O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1
508821,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,429.92833,[M-H]-,20.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508822,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,429.92833,[M-H]-,20.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508823,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,429.92833,[M-H]-,60.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508824,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,429.92833,[M-H]-,15.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508825,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,429.92833,[M-H]-,20.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508826,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,431.94288,[M+H]+,20.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508827,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,431.94288,[M+H]+,20.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508828,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,431.94288,[M+H]+,60.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508829,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,431.94288,[M+H]+,30.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508830,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,431.94288,[M+H]+,20.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508831,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,431.94288,[M+H]+,30.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508832,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,431.94288,[M+H]+,60.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508833,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1,431.94288,[M+H]+,20.0,test,Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1
508834,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,318.0808,[M-H]-,20.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508835,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,318.0808,[M-H]-,20.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508836,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,318.0808,[M-H]-,60.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508837,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,318.0808,[M-H]-,15.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508838,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,318.0808,[M-H]-,20.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508839,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,318.0808,[M-H]-,60.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508840,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,318.0808,[M-H]-,15.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508841,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,318.0808,[M-H]-,20.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508842,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,320.09536,[M+H]+,20.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508843,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,320.09536,[M+H]+,20.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508844,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,320.09536,[M+H]+,60.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508845,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,320.09536,[M+H]+,15.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508846,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1,320.09536,[M+H]+,20.0,test,FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ncn[nH]2)no1
508847,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,320.09536,[M+H]+,20.0,test,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1
508848,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,320.09536,[M+H]+,20.0,test,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1
508849,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,320.09536,[M+H]+,60.0,test,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1
508850,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,320.09536,[M+H]+,30.0,test,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1
508851,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,320.09536,[M+H]+,20.0,test,O=C(c1cncc(F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1
508852,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,319.09245,[M-H]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508853,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,319.09245,[M-H]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508854,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,319.09245,[M-H]-,45.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508855,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,319.09245,[M-H]-,60.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508856,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,319.09245,[M-H]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508857,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,319.09245,[M-H]-,45.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508858,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,319.09245,[M-H]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508859,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,319.09245,[M-H]-,60.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508860,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,355.06913,[M+Cl]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508861,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,355.06913,[M+Cl]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508862,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,355.06913,[M+Cl]-,60.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508863,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,355.06913,[M+Cl]-,15.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508864,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,365.09793,[M+FA]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508865,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,365.09793,[M+FA]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508866,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,365.09793,[M+FA]-,60.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508867,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,365.09793,[M+FA]-,15.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508868,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,365.09793,[M+FA]-,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508869,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,321.10701,[M+H]+,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508870,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,321.10701,[M+H]+,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508871,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,321.10701,[M+H]+,60.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508872,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,321.10701,[M+H]+,30.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508873,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,321.10701,[M+H]+,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508874,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,321.10701,[M+H]+,45.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508875,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,321.10701,[M+H]+,60.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508876,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1,321.10701,[M+H]+,20.0,test,FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1
508877,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F,291.0598,[M+H]+,20.0,test,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F
508878,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F,291.0598,[M+H]+,20.0,test,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F
508879,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F,291.0598,[M+H]+,45.0,test,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F
508880,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F,291.0598,[M+H]+,60.0,test,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F
508881,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F,291.0598,[M+H]+,20.0,test,COc1ccc(Nc2nc(-c3ccoc3)cs2)cc1F
508882,NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(C(=O)O)cc1,337.02999,[M-H]-,20.0,test,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F
508883,NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(C(=O)O)cc1,337.02999,[M-H]-,20.0,test,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F
508884,NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(C(=O)O)cc1,337.02999,[M-H]-,60.0,test,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F
508885,NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(C(=O)O)cc1,337.02999,[M-H]-,30.0,test,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F
508886,NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(C(=O)O)cc1,337.02999,[M-H]-,20.0,test,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F
508887,NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(C(=O)O)cc1,337.02999,[M-H]-,60.0,test,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F
508888,NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(C(=O)O)cc1,337.02999,[M-H]-,30.0,test,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F
508889,NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(C(=O)O)cc1,337.02999,[M-H]-,20.0,test,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F
508890,Cc1nc(C#Cc2ccccc2)ccc1,194.09642,[M+H]+,20.0,test,Cc1cccc(C#Cc2ccccc2)n1
508891,Cc1nc(C#Cc2ccccc2)ccc1,194.09642,[M+H]+,20.0,test,Cc1cccc(C#Cc2ccccc2)n1
508892,Cc1nc(C#Cc2ccccc2)ccc1,194.09642,[M+H]+,60.0,test,Cc1cccc(C#Cc2ccccc2)n1
508893,Cc1nc(C#Cc2ccccc2)ccc1,194.09642,[M+H]+,20.0,test,Cc1cccc(C#Cc2ccccc2)n1
508894,Cc1nc(C#Cc2ccccc2)ccc1,194.09642,[M+H]+,60.0,test,Cc1cccc(C#Cc2ccccc2)n1
508895,Cc1nc(C#Cc2ccccc2)ccc1,194.09642,[M+H]+,20.0,test,Cc1cccc(C#Cc2ccccc2)n1
508896,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,300.02708,[M-H]-,20.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508897,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,300.02708,[M-H]-,20.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508898,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,300.02708,[M-H]-,60.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508899,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,300.02708,[M-H]-,30.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508900,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,300.02708,[M-H]-,20.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508901,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,300.02708,[M-H]-,30.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508902,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,300.02708,[M-H]-,20.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508903,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,300.02708,[M-H]-,60.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508904,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,302.04163,[M+H]+,20.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508905,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,302.04163,[M+H]+,20.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508906,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,302.04163,[M+H]+,60.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508907,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,302.04163,[M+H]+,30.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508908,O=C(CSc1ccc2ccccc2c1)Nc1nncs1,302.04163,[M+H]+,20.0,test,O=C(CSc1ccc2ccccc2c1)Nc1nncs1
508909,Cc1c(C)c2c(nc3SCC(c4cccs4)=Nn3c2=O)s1,334.0137,[M+H]+,20.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508910,Cc1c(C)c2c(nc3SCC(c4cccs4)=Nn3c2=O)s1,334.0137,[M+H]+,20.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508911,Cc1c(C)c2c(nc3SCC(c4cccs4)=Nn3c2=O)s1,334.0137,[M+H]+,60.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508912,Cc1c(C)c2c(nc3SCC(c4cccs4)=Nn3c2=O)s1,334.0137,[M+H]+,30.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508913,Cc1c(C)c2c(nc3SCC(c4cccs4)=Nn3c2=O)s1,334.0137,[M+H]+,20.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508914,Cc1c(C)c2c(nc3SCC(c4cccs4)=Nn3c2=O)s1,334.0137,[M+H]+,60.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508915,Cc1c(C)c2c(nc3SCC(c4cccs4)=Nn3c2=O)s1,334.0137,[M+H]+,30.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508916,Cc1c(C)c2c(nc3SCC(c4cccs4)=Nn3c2=O)s1,334.0137,[M+H]+,20.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508917,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3,334.0137,[M+H]+,30.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508918,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3,334.0137,[M+H]+,30.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508919,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3,334.0137,[M+H]+,20.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508920,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3,334.0137,[M+H]+,60.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508921,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3,334.0137,[M+H]+,30.0,test,Cc1sc2nc3n(c(=O)c2c1C)N=C(c1cccs1)CS3
508922,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,312.05607,[M-H]-,20.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508923,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,312.05607,[M-H]-,20.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508924,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,312.05607,[M-H]-,60.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508925,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,312.05607,[M-H]-,30.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508926,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,312.05607,[M-H]-,20.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508927,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,312.05607,[M-H]-,30.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508928,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,312.05607,[M-H]-,20.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508929,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,312.05607,[M-H]-,60.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508930,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,312.05607,[M-H]-,20.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508931,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,312.05607,[M-H]-,20.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508932,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,312.05607,[M-H]-,60.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508933,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,312.05607,[M-H]-,30.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508934,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,312.05607,[M-H]-,20.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508935,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,314.07062,[M+H]+,20.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508936,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,314.07062,[M+H]+,20.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508937,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,314.07062,[M+H]+,45.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508938,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,314.07062,[M+H]+,60.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508939,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,314.07062,[M+H]+,20.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508940,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,314.07062,[M+H]+,45.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508941,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,314.07062,[M+H]+,60.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508942,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1,314.07062,[M+H]+,20.0,test,COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1
508943,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,314.07062,[M+H]+,20.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508944,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,314.07062,[M+H]+,20.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508945,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,314.07062,[M+H]+,60.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508946,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,314.07062,[M+H]+,30.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508947,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,314.07062,[M+H]+,20.0,test,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
508948,COc1c(O)ccc(-c2nc3ccccc3s2)c1,258.05833,[M+H]+,20.0,test,COc1cc(-c2nc3ccccc3s2)ccc1O
508949,COc1c(O)ccc(-c2nc3ccccc3s2)c1,258.05833,[M+H]+,20.0,test,COc1cc(-c2nc3ccccc3s2)ccc1O
508950,COc1c(O)ccc(-c2nc3ccccc3s2)c1,258.05833,[M+H]+,60.0,test,COc1cc(-c2nc3ccccc3s2)ccc1O
508951,COc1c(O)ccc(-c2nc3ccccc3s2)c1,258.05833,[M+H]+,20.0,test,COc1cc(-c2nc3ccccc3s2)ccc1O
508952,COc1c(O)ccc(-c2nc3ccccc3s2)c1,258.05833,[M+H]+,45.0,test,COc1cc(-c2nc3ccccc3s2)ccc1O
508953,COc1c(O)ccc(-c2nc3ccccc3s2)c1,258.05833,[M+H]+,60.0,test,COc1cc(-c2nc3ccccc3s2)ccc1O
508954,COc1c(O)ccc(-c2nc3ccccc3s2)c1,258.05833,[M+H]+,20.0,test,COc1cc(-c2nc3ccccc3s2)ccc1O
508955,COc1c(O)ccc(-c2nc3ccccc3s2)c1,258.05833,[M+H]+,45.0,test,COc1cc(-c2nc3ccccc3s2)ccc1O
508956,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,376.00508,[M-H]-,20.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508957,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,376.00508,[M-H]-,20.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508958,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,376.00508,[M-H]-,60.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508959,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,376.00508,[M-H]-,30.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508960,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,376.00508,[M-H]-,20.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508961,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,378.01963,[M+H]+,20.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508962,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,378.01963,[M+H]+,20.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508963,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,378.01963,[M+H]+,30.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508964,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,378.01963,[M+H]+,60.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508965,O=C1CCC(c2noc(-c3c4[nH]c(=O)[nH]c4cc(Br)c3)n2)CN1,378.01963,[M+H]+,20.0,test,O=C1CCC(c2noc(-c3cc(Br)cc4[nH]c(=O)[nH]c34)n2)CN1
508966,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2,321.98957,[M+H]+,20.0,test,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2
508967,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2,321.98957,[M+H]+,60.0,test,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2
508968,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2,321.98957,[M+H]+,15.0,test,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2
508969,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2,321.98957,[M+H]+,20.0,test,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2
508970,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,305.06109,[M-H]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508971,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,305.06109,[M-H]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508972,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,305.06109,[M-H]-,60.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508973,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,305.06109,[M-H]-,30.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508974,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,305.06109,[M-H]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508975,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,305.06109,[M-H]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508976,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,305.06109,[M-H]-,30.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508977,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,305.06109,[M-H]-,60.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508978,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,341.03777,[M+Cl]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508979,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,341.03777,[M+Cl]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508980,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,341.03777,[M+Cl]-,60.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508981,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,341.03777,[M+Cl]-,15.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508982,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,341.03777,[M+Cl]-,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508983,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,307.07564,[M+H]+,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508984,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,307.07564,[M+H]+,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508985,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,307.07564,[M+H]+,60.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508986,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,307.07564,[M+H]+,30.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508987,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,307.07564,[M+H]+,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508988,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,307.07564,[M+H]+,45.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508989,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,307.07564,[M+H]+,60.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508990,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1,307.07564,[M+H]+,20.0,test,O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1
508991,Cc1cc(C(=O)N2CCc3c2ccc(F)c3)ncn1,258.10372,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCc3cc(F)ccc32)ncn1
508992,Cc1cc(C(=O)N2CCc3c2ccc(F)c3)ncn1,258.10372,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCc3cc(F)ccc32)ncn1
508993,Cc1cc(C(=O)N2CCc3c2ccc(F)c3)ncn1,258.10372,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCc3cc(F)ccc32)ncn1
508994,Cc1cc(C(=O)N2CCc3c2ccc(F)c3)ncn1,258.10372,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCc3cc(F)ccc32)ncn1
508995,Cc1cc(C(=O)N2CCc3c2ccc(F)c3)ncn1,258.10372,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCc3cc(F)ccc32)ncn1
508996,Cc1cc(C(=O)N2CCc3c2ccc(F)c3)ncn1,258.10372,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCc3cc(F)ccc32)ncn1
508997,Cc1cc(C(=O)N2CCc3c2ccc(F)c3)ncn1,258.10372,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCc3cc(F)ccc32)ncn1
508998,Cc1cc(C(=O)N2CCc3c2ccc(F)c3)ncn1,258.10372,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCc3cc(F)ccc32)ncn1
508999,Cn1nccc1-c1c(OCc2nocc2)cc(F)cc1,274.09863,[M+H]+,20.0,test,Cn1nccc1-c1ccc(F)cc1OCc1ccon1
509000,Cn1nccc1-c1c(OCc2nocc2)cc(F)cc1,274.09863,[M+H]+,20.0,test,Cn1nccc1-c1ccc(F)cc1OCc1ccon1
509001,Cn1nccc1-c1c(OCc2nocc2)cc(F)cc1,274.09863,[M+H]+,60.0,test,Cn1nccc1-c1ccc(F)cc1OCc1ccon1
509002,Cn1nccc1-c1c(OCc2nocc2)cc(F)cc1,274.09863,[M+H]+,30.0,test,Cn1nccc1-c1ccc(F)cc1OCc1ccon1
509003,Cn1nccc1-c1c(OCc2nocc2)cc(F)cc1,274.09863,[M+H]+,20.0,test,Cn1nccc1-c1ccc(F)cc1OCc1ccon1
509004,Cn1nccc1-c1c(OCc2nocc2)cc(F)cc1,274.09863,[M+H]+,60.0,test,Cn1nccc1-c1ccc(F)cc1OCc1ccon1
509005,Cn1nccc1-c1c(OCc2nocc2)cc(F)cc1,274.09863,[M+H]+,30.0,test,Cn1nccc1-c1ccc(F)cc1OCc1ccon1
509006,Cn1nccc1-c1c(OCc2nocc2)cc(F)cc1,274.09863,[M+H]+,20.0,test,Cn1nccc1-c1ccc(F)cc1OCc1ccon1
509007,CCCc1nc(-c2nc3c(c(F)ccc3)c(=O)[nH]2)co1,274.09863,[M+H]+,20.0,test,CCCc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1
509008,CCCc1nc(-c2nc3c(c(F)ccc3)c(=O)[nH]2)co1,274.09863,[M+H]+,20.0,test,CCCc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1
509009,CCCc1nc(-c2nc3c(c(F)ccc3)c(=O)[nH]2)co1,274.09863,[M+H]+,60.0,test,CCCc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1
509010,CCCc1nc(-c2nc3c(c(F)ccc3)c(=O)[nH]2)co1,274.09863,[M+H]+,20.0,test,CCCc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1
509011,CCCc1nc(-c2nc3c(c(F)ccc3)c(=O)[nH]2)co1,274.09863,[M+H]+,45.0,test,CCCc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1
509012,CCCc1nc(-c2nc3c(c(F)ccc3)c(=O)[nH]2)co1,274.09863,[M+H]+,60.0,test,CCCc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1
509013,CCCc1nc(-c2nc3c(c(F)ccc3)c(=O)[nH]2)co1,274.09863,[M+H]+,20.0,test,CCCc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1
509014,CCCc1nc(-c2nc3c(c(F)ccc3)c(=O)[nH]2)co1,274.09863,[M+H]+,45.0,test,CCCc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1
509015,CC1CCc2c3c(cc(F)c2)c(=O)c(C(=O)O)cn31,262.0874,[M+H]+,20.0,test,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
509016,CC1CCc2c3c(cc(F)c2)c(=O)c(C(=O)O)cn31,262.0874,[M+H]+,20.0,test,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
509017,CC1CCc2c3c(cc(F)c2)c(=O)c(C(=O)O)cn31,262.0874,[M+H]+,60.0,test,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
509018,CC1CCc2c3c(cc(F)c2)c(=O)c(C(=O)O)cn31,262.0874,[M+H]+,20.0,test,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
509019,CC1CCc2c3c(cc(F)c2)c(=O)c(C(=O)O)cn31,262.0874,[M+H]+,75.0,test,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
509020,Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2)ccc1,308.03983,[M-H]-,20.0,test,Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
509021,Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2)ccc1,308.03983,[M-H]-,20.0,test,Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
509022,Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2)ccc1,308.03983,[M-H]-,60.0,test,Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
509023,Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2)ccc1,308.03983,[M-H]-,20.0,test,Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
509024,Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2)ccc1,308.03983,[M-H]-,45.0,test,Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
509025,Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2)ccc1,308.03983,[M-H]-,60.0,test,Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
509026,Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2)ccc1,308.03983,[M-H]-,20.0,test,Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
509027,Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2)ccc1,308.03983,[M-H]-,45.0,test,Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
509028,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,239.0826,[M-H]-,45.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509029,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,239.0826,[M-H]-,45.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509030,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,239.0826,[M-H]-,20.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509031,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,239.0826,[M-H]-,60.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509032,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,239.0826,[M-H]-,45.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509033,Nc1ccc(/C=C/c2nc(C(=O)O)ccc2)cc1,241.09715,[M+H]+,20.0,test,Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1
509034,Nc1ccc(/C=C/c2nc(C(=O)O)ccc2)cc1,241.09715,[M+H]+,20.0,test,Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1
509035,Nc1ccc(/C=C/c2nc(C(=O)O)ccc2)cc1,241.09715,[M+H]+,60.0,test,Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1
509036,Nc1ccc(/C=C/c2nc(C(=O)O)ccc2)cc1,241.09715,[M+H]+,30.0,test,Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1
509037,Nc1ccc(/C=C/c2nc(C(=O)O)ccc2)cc1,241.09715,[M+H]+,20.0,test,Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1
509038,Nc1ccc(/C=C/c2nc(C(=O)O)ccc2)cc1,241.09715,[M+H]+,60.0,test,Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1
509039,Nc1ccc(/C=C/c2nc(C(=O)O)ccc2)cc1,241.09715,[M+H]+,30.0,test,Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1
509040,Nc1ccc(/C=C/c2nc(C(=O)O)ccc2)cc1,241.09715,[M+H]+,20.0,test,Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1
509041,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,241.09715,[M+H]+,20.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509042,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,241.09715,[M+H]+,20.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509043,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,241.09715,[M+H]+,60.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509044,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,241.09715,[M+H]+,20.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509045,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,241.09715,[M+H]+,45.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509046,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,241.09715,[M+H]+,60.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509047,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,241.09715,[M+H]+,20.0,test,CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2
509048,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,239.0826,[M-H]-,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509049,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,239.0826,[M-H]-,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509050,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,239.0826,[M-H]-,60.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509051,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,239.0826,[M-H]-,30.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509052,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,239.0826,[M-H]-,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509053,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,223.08659,[M+H-H2O]+,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509054,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,223.08659,[M+H-H2O]+,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509055,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,223.08659,[M+H-H2O]+,60.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509056,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,223.08659,[M+H-H2O]+,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509057,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,223.08659,[M+H-H2O]+,45.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509058,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,241.09715,[M+H]+,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509059,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,241.09715,[M+H]+,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509060,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,241.09715,[M+H]+,60.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509061,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,241.09715,[M+H]+,30.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509062,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,241.09715,[M+H]+,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509063,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,241.09715,[M+H]+,60.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509064,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,241.09715,[M+H]+,30.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509065,O=C(O)CCc1c2[nH]c3ccccc3c2ccn1,241.09715,[M+H]+,20.0,test,O=C(O)CCc1nccc2c1[nH]c1ccccc12
509066,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,303.0445,[M-H]-,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509067,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,303.0445,[M-H]-,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509068,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,303.0445,[M-H]-,60.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509069,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,303.0445,[M-H]-,15.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509070,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,303.0445,[M-H]-,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509071,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,305.05905,[M+H]+,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509072,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,305.05905,[M+H]+,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509073,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,305.05905,[M+H]+,60.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509074,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,305.05905,[M+H]+,30.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509075,Cc1cc(=O)oc2c1ccc(OCc1n[nH]c(=S)o1)c2C,305.05905,[M+H]+,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509076,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,303.0445,[M-H]-,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509077,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,303.0445,[M-H]-,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509078,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,303.0445,[M-H]-,60.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509079,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,303.0445,[M-H]-,15.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509080,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,303.0445,[M-H]-,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509081,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,303.0445,[M-H]-,20.0,test,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
509082,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,303.0445,[M-H]-,20.0,test,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
509083,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,303.0445,[M-H]-,45.0,test,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
509084,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,303.0445,[M-H]-,60.0,test,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
509085,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,303.0445,[M-H]-,20.0,test,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
509086,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,303.0445,[M-H]-,45.0,test,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
509087,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,303.0445,[M-H]-,60.0,test,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
509088,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,303.0445,[M-H]-,20.0,test,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
509089,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O,305.05905,[M+H]+,20.0,test,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O
509090,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O,305.05905,[M+H]+,20.0,test,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O
509091,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O,305.05905,[M+H]+,60.0,test,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O
509092,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O,305.05905,[M+H]+,30.0,test,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O
509093,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O,305.05905,[M+H]+,20.0,test,CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O
509094,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,305.05905,[M+H]+,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509095,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,305.05905,[M+H]+,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509096,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,305.05905,[M+H]+,60.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509097,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,305.05905,[M+H]+,30.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509098,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12,305.05905,[M+H]+,20.0,test,Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12
509099,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1,257.07431,[M+H]+,15.0,test,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1
509100,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1,257.07431,[M+H]+,15.0,test,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1
509101,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1,257.07431,[M+H]+,20.0,test,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1
509102,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1,257.07431,[M+H]+,60.0,test,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1
509103,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1,257.07431,[M+H]+,15.0,test,S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1
509104,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,299.06082,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509105,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,299.06082,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509106,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,299.06082,[M-H]-,60.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509107,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,299.06082,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509108,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,299.06082,[M-H]-,45.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509109,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,301.07537,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509110,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,301.07537,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509111,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,301.07537,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509112,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,301.07537,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509113,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,301.07537,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509114,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,301.07537,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509115,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,301.07537,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509116,Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2)cc1,301.07537,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
509117,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,299.06082,[M-H]-,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509118,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,299.06082,[M-H]-,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509119,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,299.06082,[M-H]-,60.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509120,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,299.06082,[M-H]-,30.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509121,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,299.06082,[M-H]-,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509122,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,299.06082,[M-H]-,60.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509123,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,299.06082,[M-H]-,30.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509124,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,299.06082,[M-H]-,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509125,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,301.07537,[M+H]+,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509126,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,301.07537,[M+H]+,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509127,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,301.07537,[M+H]+,60.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509128,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,301.07537,[M+H]+,15.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509129,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,301.07537,[M+H]+,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509130,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,301.07537,[M+H]+,60.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509131,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,301.07537,[M+H]+,15.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509132,COc1ccc(C(=O)CSc2c3[nH]cnc3ncn2)cc1,301.07537,[M+H]+,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509133,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,299.06082,[M-H]-,20.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509134,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,299.06082,[M-H]-,20.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509135,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,299.06082,[M-H]-,60.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509136,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,299.06082,[M-H]-,15.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509137,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,299.06082,[M-H]-,20.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509138,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,299.06082,[M-H]-,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509139,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,299.06082,[M-H]-,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509140,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,299.06082,[M-H]-,60.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509141,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,299.06082,[M-H]-,30.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509142,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,299.06082,[M-H]-,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509143,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,299.06082,[M-H]-,30.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509144,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,299.06082,[M-H]-,60.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509145,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,299.06082,[M-H]-,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509146,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,299.06082,[M-H]-,20.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509147,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,299.06082,[M-H]-,20.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509148,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,299.06082,[M-H]-,60.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509149,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,299.06082,[M-H]-,30.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509150,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,299.06082,[M-H]-,20.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509151,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,299.06082,[M-H]-,30.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509152,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,299.06082,[M-H]-,20.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509153,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,299.06082,[M-H]-,60.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509154,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,299.06082,[M-H]-,20.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509155,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,299.06082,[M-H]-,20.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509156,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,299.06082,[M-H]-,60.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509157,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,299.06082,[M-H]-,15.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509158,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,299.06082,[M-H]-,20.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509159,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,299.06082,[M-H]-,20.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509160,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,299.06082,[M-H]-,20.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509161,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,299.06082,[M-H]-,60.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509162,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,299.06082,[M-H]-,15.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509163,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,299.06082,[M-H]-,20.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509164,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,299.06082,[M-H]-,15.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509165,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,299.06082,[M-H]-,20.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509166,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,299.06082,[M-H]-,60.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509167,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,301.07537,[M+H]+,20.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509168,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,301.07537,[M+H]+,20.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509169,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,301.07537,[M+H]+,60.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509170,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,301.07537,[M+H]+,15.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509171,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1,301.07537,[M+H]+,20.0,test,N#Cc1cccc(NC(=O)OCCSc2ncccn2)c1
509172,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,301.07537,[M+H]+,20.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509173,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,301.07537,[M+H]+,20.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509174,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,301.07537,[M+H]+,30.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509175,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,301.07537,[M+H]+,60.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509176,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,301.07537,[M+H]+,20.0,test,Cc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
509177,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,301.07537,[M+H]+,20.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509178,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,301.07537,[M+H]+,20.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509179,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,301.07537,[M+H]+,60.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509180,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,301.07537,[M+H]+,15.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509181,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1,301.07537,[M+H]+,20.0,test,O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1
509182,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,301.07537,[M+H]+,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509183,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,301.07537,[M+H]+,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509184,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,301.07537,[M+H]+,60.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509185,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,301.07537,[M+H]+,30.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509186,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,301.07537,[M+H]+,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509187,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,301.07537,[M+H]+,30.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509188,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,301.07537,[M+H]+,60.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509189,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1,301.07537,[M+H]+,20.0,test,COc1ccc(C(=O)CSc2ncnc3nc[nH]c23)cc1
509190,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,301.07537,[M+H]+,20.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509191,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,301.07537,[M+H]+,20.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509192,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,301.07537,[M+H]+,30.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509193,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,301.07537,[M+H]+,60.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509194,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,301.07537,[M+H]+,15.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509195,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,301.07537,[M+H]+,20.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509196,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,301.07537,[M+H]+,60.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509197,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1,301.07537,[M+H]+,20.0,test,O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
509198,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,301.07537,[M+H]+,20.0,test,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
509199,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,301.07537,[M+H]+,20.0,test,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
509200,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,301.07537,[M+H]+,60.0,test,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
509201,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,301.07537,[M+H]+,30.0,test,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
509202,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,301.07537,[M+H]+,20.0,test,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
509203,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,301.07537,[M+H]+,60.0,test,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
509204,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,301.07537,[M+H]+,30.0,test,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
509205,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,301.07537,[M+H]+,20.0,test,Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
509206,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,347.04556,[M-H]-,20.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509207,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,347.04556,[M-H]-,20.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509208,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,347.04556,[M-H]-,60.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509209,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,347.04556,[M-H]-,30.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509210,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,347.04556,[M-H]-,20.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509211,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,349.06012,[M+H]+,20.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509212,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,349.06012,[M+H]+,20.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509213,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,349.06012,[M+H]+,60.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509214,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,349.06012,[M+H]+,30.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509215,Cc1c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(C(=O)O)o1,349.06012,[M+H]+,20.0,test,Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-n1ccnn1
509216,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,283.06591,[M-H]-,30.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509217,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,283.06591,[M-H]-,30.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509218,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,283.06591,[M-H]-,20.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509219,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,283.06591,[M-H]-,60.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509220,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,283.06591,[M-H]-,30.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509221,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,285.08046,[M+H]+,20.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509222,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,285.08046,[M+H]+,20.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509223,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,285.08046,[M+H]+,60.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509224,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,285.08046,[M+H]+,20.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509225,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,285.08046,[M+H]+,45.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509226,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,285.08046,[M+H]+,60.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509227,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,285.08046,[M+H]+,20.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509228,Cc1c(Sc2ccncc2)c2c(cc1)[nH]c(N)nc2=O,285.08046,[M+H]+,45.0,test,Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1
509229,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,315.03798,[M-H]-,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509230,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,315.03798,[M-H]-,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509231,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,315.03798,[M-H]-,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509232,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,315.03798,[M-H]-,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509233,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,315.03798,[M-H]-,45.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509234,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,317.05253,[M+H]+,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509235,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,317.05253,[M+H]+,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509236,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,317.05253,[M+H]+,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509237,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,317.05253,[M+H]+,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509238,O=c1c2c(nc(Nc3ccccc3)s2)nc2SCCCn21,317.05253,[M+H]+,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509239,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,315.03798,[M-H]-,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509240,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,315.03798,[M-H]-,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509241,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,315.03798,[M-H]-,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509242,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,315.03798,[M-H]-,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509243,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,315.03798,[M-H]-,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509244,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,317.05253,[M+H]+,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509245,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,317.05253,[M+H]+,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509246,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,317.05253,[M+H]+,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509247,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,317.05253,[M+H]+,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509248,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,317.05253,[M+H]+,60.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509249,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2,317.05253,[M+H]+,20.0,test,O=c1c2sc(Nc3ccccc3)nc2nc2n1CCCS2
509250,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1,349.02946,[M+H]+,20.0,test,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
509251,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1,349.02946,[M+H]+,20.0,test,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
509252,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1,349.02946,[M+H]+,45.0,test,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
509253,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1,349.02946,[M+H]+,60.0,test,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
509254,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1,349.02946,[M+H]+,20.0,test,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
509255,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1,349.02946,[M+H]+,45.0,test,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
509256,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1,349.02946,[M+H]+,60.0,test,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
509257,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1,349.02946,[M+H]+,20.0,test,CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
509258,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,351.03241,[M-H]-,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509259,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,351.03241,[M-H]-,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509260,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,351.03241,[M-H]-,60.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509261,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,351.03241,[M-H]-,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509262,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,351.03241,[M-H]-,45.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509263,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,351.03241,[M-H]-,60.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509264,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,351.03241,[M-H]-,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509265,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,351.03241,[M-H]-,45.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509266,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,387.00909,[M+Cl]-,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509267,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,387.00909,[M+Cl]-,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509268,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,387.00909,[M+Cl]-,60.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509269,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,387.00909,[M+Cl]-,15.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509270,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,387.00909,[M+Cl]-,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509271,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,353.04697,[M+H]+,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509272,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,353.04697,[M+H]+,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509273,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,353.04697,[M+H]+,60.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509274,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,353.04697,[M+H]+,30.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509275,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,353.04697,[M+H]+,20.0,test,CCn1ncn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O
509276,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,327.00995,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509277,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,327.00995,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509278,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,327.00995,[M-H]-,60.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509279,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,327.00995,[M-H]-,15.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509280,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,327.00995,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509281,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,329.0245,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509282,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,329.0245,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509283,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,329.0245,[M+H]+,60.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509284,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,329.0245,[M+H]+,30.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509285,CS(=O)(=O)c1cc(Cl)c(C(=O)C2C(=O)CCCC2=O)cc1,329.0245,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
509286,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,309.09687,[M-H]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509287,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,309.09687,[M-H]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509288,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,309.09687,[M-H]-,60.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509289,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,309.09687,[M-H]-,30.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509290,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,309.09687,[M-H]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509291,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,311.11142,[M+H]+,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509292,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,311.11142,[M+H]+,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509293,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,311.11142,[M+H]+,60.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509294,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,311.11142,[M+H]+,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509295,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1,311.11142,[M+H]+,45.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1
509296,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,355.10235,[M+FA]-,20.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509297,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,355.10235,[M+FA]-,20.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509298,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,355.10235,[M+FA]-,15.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509299,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,355.10235,[M+FA]-,20.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509300,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,355.10235,[M+FA]-,15.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509301,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,355.10235,[M+FA]-,20.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509302,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,355.10235,[M+FA]-,60.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509303,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,309.09687,[M-H]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509304,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,309.09687,[M-H]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509305,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,309.09687,[M-H]-,60.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509306,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,309.09687,[M-H]-,30.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509307,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,309.09687,[M-H]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509308,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,309.09687,[M-H]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509309,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,309.09687,[M-H]-,30.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509310,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,309.09687,[M-H]-,60.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509311,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,345.07355,[M+Cl]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509312,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,345.07355,[M+Cl]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509313,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,345.07355,[M+Cl]-,60.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509314,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,345.07355,[M+Cl]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509315,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,355.10235,[M+FA]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509316,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,355.10235,[M+FA]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509317,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,355.10235,[M+FA]-,60.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509318,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,355.10235,[M+FA]-,15.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509319,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,355.10235,[M+FA]-,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509320,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,311.11142,[M+H]+,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509321,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,311.11142,[M+H]+,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509322,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,311.11142,[M+H]+,60.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509323,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,311.11142,[M+H]+,30.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509324,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,311.11142,[M+H]+,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509325,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,311.11142,[M+H]+,30.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509326,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,311.11142,[M+H]+,20.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509327,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1,311.11142,[M+H]+,60.0,test,O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc[nH]c2C1
509328,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,311.11142,[M+H]+,20.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509329,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,311.11142,[M+H]+,20.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509330,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,311.11142,[M+H]+,45.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509331,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,311.11142,[M+H]+,60.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509332,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,311.11142,[M+H]+,20.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509333,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,311.11142,[M+H]+,20.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509334,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,311.11142,[M+H]+,45.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509335,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1,311.11142,[M+H]+,60.0,test,O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1
509336,O=C(NC1CCCn2ncnc12)c1ccccc1OC(F)(F)F,327.10634,[M+H]+,20.0,test,O=C(NC1CCCn2ncnc21)c1ccccc1OC(F)(F)F
509337,O=C(NC1CCCn2ncnc12)c1ccccc1OC(F)(F)F,327.10634,[M+H]+,20.0,test,O=C(NC1CCCn2ncnc21)c1ccccc1OC(F)(F)F
509338,O=C(NC1CCCn2ncnc12)c1ccccc1OC(F)(F)F,327.10634,[M+H]+,60.0,test,O=C(NC1CCCn2ncnc21)c1ccccc1OC(F)(F)F
509339,O=C(NC1CCCn2ncnc12)c1ccccc1OC(F)(F)F,327.10634,[M+H]+,30.0,test,O=C(NC1CCCn2ncnc21)c1ccccc1OC(F)(F)F
509340,O=C(NC1CCCn2ncnc12)c1ccccc1OC(F)(F)F,327.10634,[M+H]+,20.0,test,O=C(NC1CCCn2ncnc21)c1ccccc1OC(F)(F)F
509341,O=C(NC1CCCn2ncnc12)c1ccccc1OC(F)(F)F,327.10634,[M+H]+,60.0,test,O=C(NC1CCCn2ncnc21)c1ccccc1OC(F)(F)F
509342,O=C(NC1CCCn2ncnc12)c1ccccc1OC(F)(F)F,327.10634,[M+H]+,30.0,test,O=C(NC1CCCn2ncnc21)c1ccccc1OC(F)(F)F
509343,O=C(NC1CCCn2ncnc12)c1ccccc1OC(F)(F)F,327.10634,[M+H]+,20.0,test,O=C(NC1CCCn2ncnc21)c1ccccc1OC(F)(F)F
509344,COc1nccc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)c1,327.10634,[M+H]+,20.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509345,COc1nccc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)c1,327.10634,[M+H]+,20.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509346,COc1nccc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)c1,327.10634,[M+H]+,60.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509347,COc1nccc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)c1,327.10634,[M+H]+,20.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509348,COc1nccc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)c1,327.10634,[M+H]+,45.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509349,COc1nccc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)c1,327.10634,[M+H]+,60.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509350,COc1nccc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)c1,327.10634,[M+H]+,20.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509351,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,371.09726,[M+FA]-,60.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509352,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,371.09726,[M+FA]-,15.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509353,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,371.09726,[M+FA]-,20.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509354,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,371.09726,[M+FA]-,60.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509355,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,371.09726,[M+FA]-,15.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509356,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,371.09726,[M+FA]-,20.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509357,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,20.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509358,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,20.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509359,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,60.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509360,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,15.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509361,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,20.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509362,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,20.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509363,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,15.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509364,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,60.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509365,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,371.09726,[M+FA]-,20.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509366,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,371.09726,[M+FA]-,20.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509367,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,371.09726,[M+FA]-,60.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509368,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,371.09726,[M+FA]-,15.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509369,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,371.09726,[M+FA]-,20.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509370,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,371.09726,[M+FA]-,15.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509371,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,371.09726,[M+FA]-,20.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509372,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,371.09726,[M+FA]-,60.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509373,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,325.09178,[M-H]-,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509374,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,325.09178,[M-H]-,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509375,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,325.09178,[M-H]-,60.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509376,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,325.09178,[M-H]-,15.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509377,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,325.09178,[M-H]-,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509378,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,361.06846,[M+Cl]-,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509379,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,361.06846,[M+Cl]-,60.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509380,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,361.06846,[M+Cl]-,15.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509381,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509382,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509383,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,60.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509384,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,15.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509385,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,371.09726,[M+FA]-,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509386,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,327.10634,[M+H]+,20.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509387,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,327.10634,[M+H]+,20.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509388,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,327.10634,[M+H]+,60.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509389,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,327.10634,[M+H]+,30.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509390,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,327.10634,[M+H]+,20.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509391,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,327.10634,[M+H]+,30.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509392,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,327.10634,[M+H]+,60.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509393,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1,327.10634,[M+H]+,20.0,test,O=C(c1ccoc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
509394,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,327.10634,[M+H]+,20.0,test,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
509395,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,327.10634,[M+H]+,20.0,test,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
509396,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,327.10634,[M+H]+,45.0,test,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
509397,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,327.10634,[M+H]+,60.0,test,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
509398,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,327.10634,[M+H]+,20.0,test,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
509399,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,327.10634,[M+H]+,60.0,test,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
509400,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,327.10634,[M+H]+,45.0,test,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
509401,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,327.10634,[M+H]+,20.0,test,COc1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
509402,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,327.10634,[M+H]+,20.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509403,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,327.10634,[M+H]+,20.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509404,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,327.10634,[M+H]+,60.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509405,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,327.10634,[M+H]+,15.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509406,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1,327.10634,[M+H]+,20.0,test,O=C(NCCn1nc(C(F)(F)F)ccc1=O)Nc1ccccc1
509407,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,327.10634,[M+H]+,20.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509408,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,327.10634,[M+H]+,20.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509409,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,327.10634,[M+H]+,45.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509410,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,327.10634,[M+H]+,60.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509411,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,327.10634,[M+H]+,20.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509412,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,327.10634,[M+H]+,45.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509413,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,327.10634,[M+H]+,20.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509414,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2,327.10634,[M+H]+,60.0,test,Cc1nnc2n1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
509415,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1,327.10634,[M+H]+,20.0,test,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1
509416,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1,327.10634,[M+H]+,20.0,test,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1
509417,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1,327.10634,[M+H]+,60.0,test,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1
509418,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1,327.10634,[M+H]+,30.0,test,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1
509419,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1,327.10634,[M+H]+,20.0,test,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1
509420,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1,327.10634,[M+H]+,60.0,test,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1
509421,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1,327.10634,[M+H]+,30.0,test,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1
509422,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1,327.10634,[M+H]+,20.0,test,Cc1ccc(NC(=O)C(C)n2nc(C(F)(F)F)ccc2=O)nc1
509423,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1,327.10634,[M+H]+,20.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509424,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1,327.10634,[M+H]+,20.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509425,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1,327.10634,[M+H]+,45.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509426,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1,327.10634,[M+H]+,60.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509427,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1,327.10634,[M+H]+,20.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509428,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1,327.10634,[M+H]+,60.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509429,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1,327.10634,[M+H]+,20.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509430,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1,327.10634,[M+H]+,45.0,test,COc1cc(CNC(=O)c2cc(C(F)(F)F)nc(C)n2)ccn1
509431,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509432,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509433,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,30.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509434,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,60.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509435,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,15.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509436,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509437,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,60.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509438,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,20.0,test,CC(C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O
509439,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,20.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509440,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,20.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509441,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,45.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509442,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,60.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509443,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,20.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509444,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,45.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509445,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,60.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509446,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O,327.10634,[M+H]+,20.0,test,O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O
509447,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O,327.10634,[M+H]+,20.0,test,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O
509448,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O,327.10634,[M+H]+,20.0,test,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O
509449,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O,327.10634,[M+H]+,45.0,test,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O
509450,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O,327.10634,[M+H]+,60.0,test,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O
509451,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O,327.10634,[M+H]+,20.0,test,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O
509452,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O,327.10634,[M+H]+,45.0,test,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O
509453,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O,327.10634,[M+H]+,60.0,test,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O
509454,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O,327.10634,[M+H]+,20.0,test,Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O
509455,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,319.06705,[M-H]-,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509456,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,319.06705,[M-H]-,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509457,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,319.06705,[M-H]-,60.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509458,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,319.06705,[M-H]-,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509459,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,319.06705,[M-H]-,45.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509460,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,321.0816,[M+H]+,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509461,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,321.0816,[M+H]+,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509462,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,321.0816,[M+H]+,60.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509463,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,321.0816,[M+H]+,30.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509464,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,321.0816,[M+H]+,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509465,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,321.0816,[M+H]+,60.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509466,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,321.0816,[M+H]+,30.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509467,Cc1nn2cccc(NS(=O)(=O)c3cc(C)c(F)cc3)c2n1,321.0816,[M+H]+,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509468,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,319.06705,[M-H]-,15.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509469,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,319.06705,[M-H]-,15.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509470,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,319.06705,[M-H]-,20.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509471,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,319.06705,[M-H]-,15.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509472,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,319.06705,[M-H]-,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509473,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,319.06705,[M-H]-,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509474,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,319.06705,[M-H]-,45.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509475,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,319.06705,[M-H]-,60.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509476,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,319.06705,[M-H]-,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509477,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,319.06705,[M-H]-,60.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509478,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,319.06705,[M-H]-,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509479,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,321.0816,[M+H]+,20.0,test,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1
509480,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,321.0816,[M+H]+,20.0,test,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1
509481,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,321.0816,[M+H]+,60.0,test,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1
509482,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,321.0816,[M+H]+,30.0,test,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1
509483,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,321.0816,[M+H]+,20.0,test,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1
509484,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,321.0816,[M+H]+,60.0,test,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1
509485,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,321.0816,[M+H]+,20.0,test,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1
509486,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,321.0816,[M+H]+,30.0,test,Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1
509487,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,321.0816,[M+H]+,20.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509488,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,321.0816,[M+H]+,20.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509489,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,321.0816,[M+H]+,30.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509490,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,321.0816,[M+H]+,60.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509491,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,321.0816,[M+H]+,15.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509492,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,321.0816,[M+H]+,20.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509493,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,321.0816,[M+H]+,60.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509494,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1,321.0816,[M+H]+,20.0,test,Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1
509495,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,321.0816,[M+H]+,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509496,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,321.0816,[M+H]+,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509497,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,321.0816,[M+H]+,60.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509498,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,321.0816,[M+H]+,30.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509499,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,321.0816,[M+H]+,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509500,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,321.0816,[M+H]+,60.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509501,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,321.0816,[M+H]+,30.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509502,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1,321.0816,[M+H]+,20.0,test,Cc1nc2c(NS(=O)(=O)c3ccc(F)c(C)c3)cccn2n1
509503,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509504,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509505,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,60.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509506,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,30.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509507,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509508,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509509,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509510,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,60.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509511,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,30.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509512,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509513,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,60.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509514,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,30.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509515,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509516,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509517,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509518,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,60.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509519,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,30.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509520,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509521,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,60.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509522,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,30.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509523,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,350.02747,[M-H]-,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509524,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509525,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509526,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,30.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509527,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,60.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509528,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,15.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509529,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509530,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,60.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509531,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,352.04202,[M+H]+,20.0,test,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
509532,O=S(=O)(c1c(O)cc(O)cc1)N1Cc2c(C1)c(O)cc(O)c2,322.03908,[M-H]-,15.0,test,O=S(=O)(c1ccc(O)cc1O)N1Cc2cc(O)cc(O)c2C1
509533,O=S(=O)(c1c(O)cc(O)cc1)N1Cc2c(C1)c(O)cc(O)c2,322.03908,[M-H]-,15.0,test,O=S(=O)(c1ccc(O)cc1O)N1Cc2cc(O)cc(O)c2C1
509534,O=S(=O)(c1c(O)cc(O)cc1)N1Cc2c(C1)c(O)cc(O)c2,322.03908,[M-H]-,20.0,test,O=S(=O)(c1ccc(O)cc1O)N1Cc2cc(O)cc(O)c2C1
509535,O=S(=O)(c1c(O)cc(O)cc1)N1Cc2c(C1)c(O)cc(O)c2,322.03908,[M-H]-,60.0,test,O=S(=O)(c1ccc(O)cc1O)N1Cc2cc(O)cc(O)c2C1
509536,O=S(=O)(c1c(O)cc(O)cc1)N1Cc2c(C1)c(O)cc(O)c2,322.03908,[M-H]-,15.0,test,O=S(=O)(c1ccc(O)cc1O)N1Cc2cc(O)cc(O)c2C1
509537,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,322.03908,[M-H]-,20.0,test,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O
509538,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,322.03908,[M-H]-,20.0,test,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O
509539,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,322.03908,[M-H]-,60.0,test,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O
509540,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,322.03908,[M-H]-,15.0,test,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O
509541,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,322.03908,[M-H]-,20.0,test,COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O
509542,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,290.07018,[M-H]-,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509543,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,290.07018,[M-H]-,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509544,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,290.07018,[M-H]-,60.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509545,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,290.07018,[M-H]-,30.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509546,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,290.07018,[M-H]-,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509547,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,336.07566,[M+FA]-,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509548,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,336.07566,[M+FA]-,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509549,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,336.07566,[M+FA]-,60.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509550,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,336.07566,[M+FA]-,15.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509551,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,336.07566,[M+FA]-,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509552,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,292.08473,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509553,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,292.08473,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509554,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,292.08473,[M+H]+,60.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509555,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,292.08473,[M+H]+,30.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509556,COc1c(C(=O)N2CCc3c(C2)[nH]cn3)ccc(Cl)c1,292.08473,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)N1CCc2nc[nH]c2C1
509557,O=C(NCc1ccc(Cl)cc1)c1cn2CCOCc2n1,292.08473,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)c1cn2c(n1)COCC2
509558,O=C(NCc1ccc(Cl)cc1)c1cn2CCOCc2n1,292.08473,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)c1cn2c(n1)COCC2
509559,O=C(NCc1ccc(Cl)cc1)c1cn2CCOCc2n1,292.08473,[M+H]+,60.0,test,O=C(NCc1ccc(Cl)cc1)c1cn2c(n1)COCC2
509560,O=C(NCc1ccc(Cl)cc1)c1cn2CCOCc2n1,292.08473,[M+H]+,30.0,test,O=C(NCc1ccc(Cl)cc1)c1cn2c(n1)COCC2
509561,O=C(NCc1ccc(Cl)cc1)c1cn2CCOCc2n1,292.08473,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)c1cn2c(n1)COCC2
509562,O=C(NCc1ccc(Cl)cc1)c1cn2CCOCc2n1,292.08473,[M+H]+,60.0,test,O=C(NCc1ccc(Cl)cc1)c1cn2c(n1)COCC2
509563,O=C(NCc1ccc(Cl)cc1)c1cn2CCOCc2n1,292.08473,[M+H]+,30.0,test,O=C(NCc1ccc(Cl)cc1)c1cn2c(n1)COCC2
509564,O=C(NCc1ccc(Cl)cc1)c1cn2CCOCc2n1,292.08473,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)c1cn2c(n1)COCC2
509565,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,258.10481,[M-H]-,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509566,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,258.10481,[M-H]-,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509567,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,258.10481,[M-H]-,60.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509568,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,258.10481,[M-H]-,30.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509569,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,258.10481,[M-H]-,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509570,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,294.08149,[M+Cl]-,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509571,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,304.11029,[M+FA]-,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509572,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,304.11029,[M+FA]-,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509573,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,304.11029,[M+FA]-,60.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509574,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,304.11029,[M+FA]-,15.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509575,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,304.11029,[M+FA]-,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509576,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,260.11937,[M+H]+,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509577,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,260.11937,[M+H]+,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509578,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,260.11937,[M+H]+,60.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509579,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,260.11937,[M+H]+,30.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509580,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,260.11937,[M+H]+,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509581,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,260.11937,[M+H]+,60.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509582,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,260.11937,[M+H]+,30.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509583,O=C(NCC1CC1)c1c(F)ccc(-c2ccn[nH]2)c1,260.11937,[M+H]+,20.0,test,O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
509584,O=C(Nc1ccccc1F)c1cn2CCCCc2n1,260.11937,[M+H]+,20.0,test,O=C(Nc1ccccc1F)c1cn2c(n1)CCCC2
509585,O=C(Nc1ccccc1F)c1cn2CCCCc2n1,260.11937,[M+H]+,20.0,test,O=C(Nc1ccccc1F)c1cn2c(n1)CCCC2
509586,O=C(Nc1ccccc1F)c1cn2CCCCc2n1,260.11937,[M+H]+,60.0,test,O=C(Nc1ccccc1F)c1cn2c(n1)CCCC2
509587,O=C(Nc1ccccc1F)c1cn2CCCCc2n1,260.11937,[M+H]+,30.0,test,O=C(Nc1ccccc1F)c1cn2c(n1)CCCC2
509588,O=C(Nc1ccccc1F)c1cn2CCCCc2n1,260.11937,[M+H]+,20.0,test,O=C(Nc1ccccc1F)c1cn2c(n1)CCCC2
509589,O=C(Nc1ccccc1F)c1cn2CCCCc2n1,260.11937,[M+H]+,60.0,test,O=C(Nc1ccccc1F)c1cn2c(n1)CCCC2
509590,O=C(Nc1ccccc1F)c1cn2CCCCc2n1,260.11937,[M+H]+,30.0,test,O=C(Nc1ccccc1F)c1cn2c(n1)CCCC2
509591,O=C(Nc1ccccc1F)c1cn2CCCCc2n1,260.11937,[M+H]+,20.0,test,O=C(Nc1ccccc1F)c1cn2c(n1)CCCC2
509592,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,290.07689,[M-H]-,20.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509593,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,290.07689,[M-H]-,20.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509594,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,290.07689,[M-H]-,45.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509595,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,290.07689,[M-H]-,60.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509596,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,290.07689,[M-H]-,20.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509597,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,292.09144,[M+H]+,20.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509598,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,292.09144,[M+H]+,20.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509599,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,292.09144,[M+H]+,60.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509600,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,292.09144,[M+H]+,15.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509601,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1,292.09144,[M+H]+,20.0,test,CN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1
509602,O=C(c1cc(Nc2ncccn2)ccc1)N1CC(O)C1,271.11895,[M+H]+,20.0,test,O=C(c1cccc(Nc2ncccn2)c1)N1CC(O)C1
509603,O=C(c1cc(Nc2ncccn2)ccc1)N1CC(O)C1,271.11895,[M+H]+,20.0,test,O=C(c1cccc(Nc2ncccn2)c1)N1CC(O)C1
509604,O=C(c1cc(Nc2ncccn2)ccc1)N1CC(O)C1,271.11895,[M+H]+,60.0,test,O=C(c1cccc(Nc2ncccn2)c1)N1CC(O)C1
509605,O=C(c1cc(Nc2ncccn2)ccc1)N1CC(O)C1,271.11895,[M+H]+,30.0,test,O=C(c1cccc(Nc2ncccn2)c1)N1CC(O)C1
509606,O=C(c1cc(Nc2ncccn2)ccc1)N1CC(O)C1,271.11895,[M+H]+,20.0,test,O=C(c1cccc(Nc2ncccn2)c1)N1CC(O)C1
509607,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,269.1044,[M-H]-,20.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509608,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,269.1044,[M-H]-,20.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509609,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,269.1044,[M-H]-,30.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509610,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,269.1044,[M-H]-,60.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509611,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,269.1044,[M-H]-,20.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509612,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,271.11895,[M+H]+,20.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509613,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,271.11895,[M+H]+,20.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509614,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,271.11895,[M+H]+,60.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509615,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,271.11895,[M+H]+,30.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509616,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,271.11895,[M+H]+,20.0,test,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
509617,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,271.11895,[M+H]+,20.0,test,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
509618,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,271.11895,[M+H]+,20.0,test,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
509619,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,271.11895,[M+H]+,60.0,test,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
509620,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,271.11895,[M+H]+,30.0,test,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
509621,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,271.11895,[M+H]+,20.0,test,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
509622,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1,303.10878,[M+H]+,20.0,test,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1
509623,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1,303.10878,[M+H]+,20.0,test,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1
509624,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1,303.10878,[M+H]+,60.0,test,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1
509625,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1,303.10878,[M+H]+,15.0,test,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1
509626,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1,303.10878,[M+H]+,20.0,test,O=C(O)C1c2ccccc2OCCN1C(=O)Cn1nccn1
509627,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,333.08406,[M-H]-,30.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509628,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,333.08406,[M-H]-,30.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509629,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,333.08406,[M-H]-,20.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509630,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,333.08406,[M-H]-,60.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509631,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,333.08406,[M-H]-,30.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509632,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,335.09861,[M+H]+,30.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509633,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,335.09861,[M+H]+,30.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509634,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,335.09861,[M+H]+,60.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509635,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,335.09861,[M+H]+,20.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509636,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O,335.09861,[M+H]+,30.0,test,O=C(O)CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O
509637,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,368.9914,[M-H]-,20.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509638,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,368.9914,[M-H]-,60.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509639,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,368.9914,[M-H]-,15.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509640,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,368.9914,[M-H]-,20.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509641,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,371.00595,[M+H]+,20.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509642,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,371.00595,[M+H]+,20.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509643,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,371.00595,[M+H]+,60.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509644,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,371.00595,[M+H]+,30.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509645,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1c2cc(Br)cc1,371.00595,[M+H]+,20.0,test,CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12
509646,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509647,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509648,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,60.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509649,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,30.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509650,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509651,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,277.07493,[M-H]-,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509652,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,277.07493,[M-H]-,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509653,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,277.07493,[M-H]-,60.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509654,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,277.07493,[M-H]-,15.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509655,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,277.07493,[M-H]-,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509656,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,323.08041,[M+FA]-,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509657,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,323.08041,[M+FA]-,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509658,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,323.08041,[M+FA]-,60.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509659,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,323.08041,[M+FA]-,15.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509660,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,323.08041,[M+FA]-,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509661,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509662,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509663,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,60.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509664,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509665,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,277.07493,[M-H]-,45.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509666,Cc1c(C(=O)N2CCNCC2)oc2c1cccc2Cl,279.08948,[M+H]+,15.0,test,Cc1c(C(=O)N2CCNCC2)oc2c(Cl)cccc12
509667,Cc1c(C(=O)N2CCNCC2)oc2c1cccc2Cl,279.08948,[M+H]+,15.0,test,Cc1c(C(=O)N2CCNCC2)oc2c(Cl)cccc12
509668,Cc1c(C(=O)N2CCNCC2)oc2c1cccc2Cl,279.08948,[M+H]+,30.0,test,Cc1c(C(=O)N2CCNCC2)oc2c(Cl)cccc12
509669,Cc1c(C(=O)N2CCNCC2)oc2c1cccc2Cl,279.08948,[M+H]+,20.0,test,Cc1c(C(=O)N2CCNCC2)oc2c(Cl)cccc12
509670,Cc1c(C(=O)N2CCNCC2)oc2c1cccc2Cl,279.08948,[M+H]+,60.0,test,Cc1c(C(=O)N2CCNCC2)oc2c(Cl)cccc12
509671,Cc1c(C(=O)N2CCNCC2)oc2c1cccc2Cl,279.08948,[M+H]+,15.0,test,Cc1c(C(=O)N2CCNCC2)oc2c(Cl)cccc12
509672,Cc1c(C(=O)N2CCNCC2)oc2c1cccc2Cl,279.08948,[M+H]+,20.0,test,Cc1c(C(=O)N2CCNCC2)oc2c(Cl)cccc12
509673,Cc1c(C(=O)N2CCNCC2)oc2c1cccc2Cl,279.08948,[M+H]+,60.0,test,Cc1c(C(=O)N2CCNCC2)oc2c(Cl)cccc12
509674,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,279.08948,[M+H]+,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509675,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,279.08948,[M+H]+,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509676,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,279.08948,[M+H]+,60.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509677,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,279.08948,[M+H]+,30.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509678,Cc1noc(C)c1CNC(=O)Cc1cc(Cl)ccc1,279.08948,[M+H]+,20.0,test,Cc1noc(C)c1CNC(=O)Cc1cccc(Cl)c1
509679,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,279.08948,[M+H]+,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509680,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,279.08948,[M+H]+,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509681,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,279.08948,[M+H]+,60.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509682,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,279.08948,[M+H]+,30.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509683,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1,279.08948,[M+H]+,20.0,test,Cn1cc(Cl)cc1C(=O)Nc1ccc(CCO)cc1
509684,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1,303.11195,[M+H]+,20.0,test,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1
509685,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1,303.11195,[M+H]+,20.0,test,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1
509686,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1,303.11195,[M+H]+,45.0,test,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1
509687,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1,303.11195,[M+H]+,60.0,test,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1
509688,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1,303.11195,[M+H]+,20.0,test,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1
509689,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1,303.11195,[M+H]+,45.0,test,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1
509690,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1,303.11195,[M+H]+,60.0,test,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1
509691,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1,303.11195,[M+H]+,20.0,test,Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1
509692,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21,303.11195,[M+H]+,20.0,test,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21
509693,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21,303.11195,[M+H]+,20.0,test,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21
509694,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21,303.11195,[M+H]+,45.0,test,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21
509695,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21,303.11195,[M+H]+,60.0,test,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21
509696,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21,303.11195,[M+H]+,20.0,test,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21
509697,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21,303.11195,[M+H]+,60.0,test,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21
509698,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21,303.11195,[M+H]+,45.0,test,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21
509699,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21,303.11195,[M+H]+,20.0,test,Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21
509700,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1,268.11436,[M+H]+,20.0,test,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
509701,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1,268.11436,[M+H]+,20.0,test,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
509702,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1,268.11436,[M+H]+,60.0,test,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
509703,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1,268.11436,[M+H]+,30.0,test,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
509704,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1,268.11436,[M+H]+,20.0,test,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
509705,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1,268.11436,[M+H]+,20.0,test,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
509706,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1,268.11436,[M+H]+,30.0,test,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
509707,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1,268.11436,[M+H]+,60.0,test,CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
509708,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,315.0962,[M-H]-,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509709,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,315.0962,[M-H]-,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509710,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,315.0962,[M-H]-,60.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509711,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,315.0962,[M-H]-,30.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509712,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,315.0962,[M-H]-,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509713,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,315.0962,[M-H]-,60.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509714,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,315.0962,[M-H]-,30.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509715,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,315.0962,[M-H]-,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509716,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,361.10168,[M+FA]-,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509717,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,361.10168,[M+FA]-,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509718,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,361.10168,[M+FA]-,60.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509719,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,361.10168,[M+FA]-,15.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509720,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,361.10168,[M+FA]-,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509721,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,315.0962,[M-H]-,20.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509722,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,315.0962,[M-H]-,20.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509723,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,315.0962,[M-H]-,60.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509724,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,315.0962,[M-H]-,15.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509725,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,315.0962,[M-H]-,20.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509726,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,317.11075,[M+H]+,20.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509727,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,317.11075,[M+H]+,20.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509728,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,317.11075,[M+H]+,60.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509729,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,317.11075,[M+H]+,15.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509730,Cc1c(NC(=O)N2CCC(C(=O)O)C2)cc(C(F)(F)F)cc1,317.11075,[M+H]+,20.0,test,Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)O)C1
509731,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,317.11075,[M+H]+,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509732,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,317.11075,[M+H]+,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509733,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,317.11075,[M+H]+,60.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509734,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,317.11075,[M+H]+,30.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509735,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,317.11075,[M+H]+,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509736,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,317.11075,[M+H]+,60.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509737,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,317.11075,[M+H]+,30.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509738,CC1(C)C(C(F)(F)F)CCN1C(=O)c1cc(C(=O)O)ncc1,317.11075,[M+H]+,20.0,test,CC1(C)C(C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1
509739,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,315.0962,[M-H]-,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509740,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,315.0962,[M-H]-,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509741,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,315.0962,[M-H]-,60.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509742,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,315.0962,[M-H]-,30.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509743,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,315.0962,[M-H]-,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509744,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,315.0962,[M-H]-,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509745,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,315.0962,[M-H]-,30.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509746,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,315.0962,[M-H]-,60.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509747,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,315.0962,[M-H]-,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509748,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,315.0962,[M-H]-,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509749,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,315.0962,[M-H]-,60.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509750,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,315.0962,[M-H]-,30.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509751,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,315.0962,[M-H]-,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509752,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,315.0962,[M-H]-,30.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509753,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,315.0962,[M-H]-,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509754,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,315.0962,[M-H]-,60.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509755,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,317.11075,[M+H]+,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509756,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,317.11075,[M+H]+,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509757,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,317.11075,[M+H]+,60.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509758,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,317.11075,[M+H]+,30.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509759,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,317.11075,[M+H]+,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509760,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,317.11075,[M+H]+,60.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509761,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,317.11075,[M+H]+,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509762,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F,317.11075,[M+H]+,30.0,test,O=C(O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
509763,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509764,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509765,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,30.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509766,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,60.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509767,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509768,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,45.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509769,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,60.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509770,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,20.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509771,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,317.11075,[M+H]+,30.0,test,O=C(O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
509772,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,383.08309,[M+FA]-,20.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509773,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,383.08309,[M+FA]-,20.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509774,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,383.08309,[M+FA]-,60.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509775,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,383.08309,[M+FA]-,15.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509776,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,383.08309,[M+FA]-,20.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509777,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,339.09217,[M+H]+,20.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509778,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,339.09217,[M+H]+,20.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509779,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,339.09217,[M+H]+,60.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509780,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,339.09217,[M+H]+,30.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509781,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1,339.09217,[M+H]+,20.0,test,Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
509782,CCOCCn1cc(-c2nc3ccccc3nc2)nn1,270.13494,[M+H]+,20.0,test,CCOCCn1cc(-c2cnc3ccccc3n2)nn1
509783,CCOCCn1cc(-c2nc3ccccc3nc2)nn1,270.13494,[M+H]+,20.0,test,CCOCCn1cc(-c2cnc3ccccc3n2)nn1
509784,CCOCCn1cc(-c2nc3ccccc3nc2)nn1,270.13494,[M+H]+,60.0,test,CCOCCn1cc(-c2cnc3ccccc3n2)nn1
509785,CCOCCn1cc(-c2nc3ccccc3nc2)nn1,270.13494,[M+H]+,30.0,test,CCOCCn1cc(-c2cnc3ccccc3n2)nn1
509786,CCOCCn1cc(-c2nc3ccccc3nc2)nn1,270.13494,[M+H]+,20.0,test,CCOCCn1cc(-c2cnc3ccccc3n2)nn1
509787,CCOCCn1cc(-c2nc3ccccc3nc2)nn1,270.13494,[M+H]+,60.0,test,CCOCCn1cc(-c2cnc3ccccc3n2)nn1
509788,CCOCCn1cc(-c2nc3ccccc3nc2)nn1,270.13494,[M+H]+,30.0,test,CCOCCn1cc(-c2cnc3ccccc3n2)nn1
509789,CCOCCn1cc(-c2nc3ccccc3nc2)nn1,270.13494,[M+H]+,20.0,test,CCOCCn1cc(-c2cnc3ccccc3n2)nn1
509790,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1,270.13494,[M+H]+,20.0,test,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1
509791,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1,270.13494,[M+H]+,20.0,test,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1
509792,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1,270.13494,[M+H]+,60.0,test,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1
509793,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1,270.13494,[M+H]+,20.0,test,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1
509794,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1,270.13494,[M+H]+,45.0,test,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1
509795,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1,270.13494,[M+H]+,60.0,test,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1
509796,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1,270.13494,[M+H]+,20.0,test,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1
509797,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1,270.13494,[M+H]+,45.0,test,Cc1nc(NC(=O)C(C)(C)C#N)nn1-c1ccccc1
509798,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,300.11021,[M-H]-,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509799,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,300.11021,[M-H]-,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509800,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,300.11021,[M-H]-,60.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509801,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,300.11021,[M-H]-,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509802,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,300.11021,[M-H]-,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509803,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,300.11021,[M-H]-,60.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509804,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,300.11021,[M-H]-,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509805,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,300.11021,[M-H]-,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509806,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,302.12476,[M+H]+,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509807,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,302.12476,[M+H]+,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509808,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,302.12476,[M+H]+,60.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509809,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,302.12476,[M+H]+,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509810,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,302.12476,[M+H]+,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509811,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,302.12476,[M+H]+,60.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509812,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,302.12476,[M+H]+,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509813,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,302.12476,[M+H]+,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509814,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,324.10671,[M+Na]+,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509815,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,324.10671,[M+Na]+,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509816,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,324.10671,[M+Na]+,60.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509817,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,324.10671,[M+Na]+,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509818,COCCNC(=O)c1c2c(=O)[nH]c3c(ccc(C)c3)n2nn1,324.10671,[M+Na]+,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509819,COc1nnc(OC2CCN(C(=O)c3nccnc3)C2)cc1,302.12476,[M+H]+,20.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509820,COc1nnc(OC2CCN(C(=O)c3nccnc3)C2)cc1,302.12476,[M+H]+,20.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509821,COc1nnc(OC2CCN(C(=O)c3nccnc3)C2)cc1,302.12476,[M+H]+,60.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509822,COc1nnc(OC2CCN(C(=O)c3nccnc3)C2)cc1,302.12476,[M+H]+,15.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509823,COc1nnc(OC2CCN(C(=O)c3nccnc3)C2)cc1,302.12476,[M+H]+,20.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509824,COc1nnc(OC2CCN(C(=O)c3nccnc3)C2)cc1,302.12476,[M+H]+,60.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509825,COc1nnc(OC2CCN(C(=O)c3nccnc3)C2)cc1,302.12476,[M+H]+,15.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509826,COc1nnc(OC2CCN(C(=O)c3nccnc3)C2)cc1,302.12476,[M+H]+,20.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509827,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,300.11021,[M-H]-,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509828,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,300.11021,[M-H]-,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509829,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,300.11021,[M-H]-,60.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509830,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,300.11021,[M-H]-,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509831,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,300.11021,[M-H]-,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509832,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,300.11021,[M-H]-,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509833,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,300.11021,[M-H]-,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509834,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,300.11021,[M-H]-,60.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509835,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,300.11021,[M-H]-,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509836,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,300.11021,[M-H]-,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509837,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,300.11021,[M-H]-,60.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509838,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,300.11021,[M-H]-,30.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509839,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,300.11021,[M-H]-,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509840,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,300.11021,[M-H]-,30.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509841,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,300.11021,[M-H]-,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509842,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,300.11021,[M-H]-,60.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509843,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1,302.12476,[M+H]+,20.0,test,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1
509844,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1,302.12476,[M+H]+,20.0,test,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1
509845,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1,302.12476,[M+H]+,60.0,test,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1
509846,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1,302.12476,[M+H]+,15.0,test,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1
509847,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1,302.12476,[M+H]+,20.0,test,O=C(Cn1ncccc1=O)N1CCC(Oc2cnccn2)C1
509848,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,302.12476,[M+H]+,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509849,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,302.12476,[M+H]+,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509850,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,302.12476,[M+H]+,60.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509851,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,302.12476,[M+H]+,30.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509852,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12,302.12476,[M+H]+,20.0,test,COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12
509853,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1,302.12476,[M+H]+,20.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509854,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1,302.12476,[M+H]+,20.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509855,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1,302.12476,[M+H]+,30.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509856,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1,302.12476,[M+H]+,60.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509857,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1,302.12476,[M+H]+,15.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509858,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1,302.12476,[M+H]+,20.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509859,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1,302.12476,[M+H]+,20.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509860,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1,302.12476,[M+H]+,60.0,test,COc1ccc(OC2CCN(C(=O)c3cnccn3)C2)nn1
509861,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509862,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509863,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,45.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509864,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,60.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509865,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509866,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509867,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509868,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,60.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509869,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,15.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509870,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1,302.12476,[M+H]+,20.0,test,COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1
509871,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1,276.08775,[M-H]-,20.0,test,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1
509872,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1,276.08775,[M-H]-,20.0,test,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1
509873,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1,276.08775,[M-H]-,60.0,test,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1
509874,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1,276.08775,[M-H]-,15.0,test,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1
509875,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1,276.08775,[M-H]-,20.0,test,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1
509876,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1,276.08775,[M-H]-,20.0,test,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1
509877,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1,276.08775,[M-H]-,15.0,test,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1
509878,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1,276.08775,[M-H]-,60.0,test,O=C1CCC(C(=O)O)N(C(=O)OCc2ccccc2)C1
509879,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1,326.07245,[M+H]+,20.0,test,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1
509880,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1,326.07245,[M+H]+,20.0,test,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1
509881,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1,326.07245,[M+H]+,45.0,test,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1
509882,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1,326.07245,[M+H]+,60.0,test,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1
509883,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1,326.07245,[M+H]+,20.0,test,CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1
509884,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,248.08477,[M-H]-,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509885,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,248.08477,[M-H]-,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509886,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,248.08477,[M-H]-,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509887,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,248.08477,[M-H]-,45.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509888,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,294.09024,[M+FA]-,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509889,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,294.09024,[M+FA]-,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509890,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,294.09024,[M+FA]-,60.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509891,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,294.09024,[M+FA]-,15.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509892,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,294.09024,[M+FA]-,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509893,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,250.09932,[M+H]+,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509894,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,250.09932,[M+H]+,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509895,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,250.09932,[M+H]+,60.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509896,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,250.09932,[M+H]+,30.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509897,O=C(Nc1cc(Cl)ccc1)C1C2CCCCC21,250.09932,[M+H]+,20.0,test,O=C(Nc1cccc(Cl)c1)C1C2CCCCC21
509898,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,313.10054,[M-H]-,20.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509899,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,313.10054,[M-H]-,20.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509900,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,313.10054,[M-H]-,60.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509901,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,313.10054,[M-H]-,20.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509902,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,313.10054,[M-H]-,45.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509903,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,315.11509,[M+H]+,20.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509904,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,315.11509,[M+H]+,20.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509905,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,315.11509,[M+H]+,60.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509906,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,315.11509,[M+H]+,15.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509907,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F,315.11509,[M+H]+,20.0,test,O=C(NCCC(=O)N1CCOCC1)c1c(F)ccc(O)c1F
509908,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,313.10054,[M-H]-,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509909,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,313.10054,[M-H]-,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509910,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,313.10054,[M-H]-,60.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509911,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,313.10054,[M-H]-,30.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509912,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,313.10054,[M-H]-,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509913,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,315.11509,[M+H]+,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509914,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,315.11509,[M+H]+,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509915,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,315.11509,[M+H]+,60.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509916,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,315.11509,[M+H]+,30.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509917,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,315.11509,[M+H]+,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509918,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,315.11509,[M+H]+,30.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509919,O=C(CC(C(=O)O)N1CCOCC1)Nc1c(F)cc(F)cc1,315.11509,[M+H]+,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509920,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,313.10054,[M-H]-,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509921,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,313.10054,[M-H]-,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509922,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,313.10054,[M-H]-,60.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509923,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,313.10054,[M-H]-,30.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509924,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,313.10054,[M-H]-,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509925,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,313.10054,[M-H]-,30.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509926,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,313.10054,[M-H]-,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509927,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,313.10054,[M-H]-,60.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509928,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,315.11509,[M+H]+,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509929,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,315.11509,[M+H]+,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509930,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,315.11509,[M+H]+,60.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509931,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,315.11509,[M+H]+,30.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509932,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,315.11509,[M+H]+,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509933,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,315.11509,[M+H]+,30.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509934,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,315.11509,[M+H]+,20.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509935,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F,315.11509,[M+H]+,60.0,test,O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F
509936,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,376.09482,[M+FA]-,20.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509937,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,376.09482,[M+FA]-,60.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509938,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,376.09482,[M+FA]-,15.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509939,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,376.09482,[M+FA]-,20.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509940,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,332.10389,[M+H]+,20.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509941,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,332.10389,[M+H]+,20.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509942,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,332.10389,[M+H]+,45.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509943,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,332.10389,[M+H]+,60.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509944,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,332.10389,[M+H]+,20.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509945,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,332.10389,[M+H]+,60.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509946,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,332.10389,[M+H]+,45.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509947,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1,332.10389,[M+H]+,20.0,test,Cn1cc(-c2ccc(CCNC(=O)CCC(F)(F)F)s2)cn1
509948,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,372.1289,[M+FA]-,20.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509949,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,372.1289,[M+FA]-,20.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509950,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,372.1289,[M+FA]-,60.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509951,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,372.1289,[M+FA]-,15.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509952,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,372.1289,[M+FA]-,20.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509953,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,328.13797,[M+H]+,30.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509954,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,328.13797,[M+H]+,30.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509955,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,328.13797,[M+H]+,20.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509956,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,328.13797,[M+H]+,60.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509957,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,328.13797,[M+H]+,30.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509958,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,328.13797,[M+H]+,20.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509959,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,328.13797,[M+H]+,60.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509960,O=C(NC1CCN(CC(F)(F)F)CC1)c1c2cnccn2nc1,328.13797,[M+H]+,30.0,test,O=C(NC1CCN(CC(F)(F)F)CC1)c1cnn2ccncc12
509961,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1,328.13797,[M+H]+,20.0,test,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1
509962,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1,328.13797,[M+H]+,20.0,test,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1
509963,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1,328.13797,[M+H]+,60.0,test,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1
509964,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1,328.13797,[M+H]+,15.0,test,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1
509965,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1,328.13797,[M+H]+,20.0,test,Cn1cc(NC(=O)c2ccnn2C2CCCC2)c(C(F)(F)F)n1
509966,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1,328.13797,[M+H]+,20.0,test,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1
509967,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1,328.13797,[M+H]+,20.0,test,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1
509968,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1,328.13797,[M+H]+,45.0,test,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1
509969,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1,328.13797,[M+H]+,60.0,test,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1
509970,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1,328.13797,[M+H]+,20.0,test,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1
509971,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1,328.13797,[M+H]+,45.0,test,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1
509972,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1,328.13797,[M+H]+,60.0,test,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1
509973,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1,328.13797,[M+H]+,20.0,test,Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cocn3)CC2)n1
509974,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1,328.13797,[M+H]+,20.0,test,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
509975,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1,328.13797,[M+H]+,20.0,test,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
509976,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1,328.13797,[M+H]+,60.0,test,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
509977,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1,328.13797,[M+H]+,30.0,test,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
509978,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1,328.13797,[M+H]+,20.0,test,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
509979,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1,328.13797,[M+H]+,30.0,test,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
509980,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1,328.13797,[M+H]+,20.0,test,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
509981,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1,328.13797,[M+H]+,60.0,test,Cc1oncc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
509982,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1,328.13797,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1
509983,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1,328.13797,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1
509984,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1,328.13797,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1
509985,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1,328.13797,[M+H]+,30.0,test,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1
509986,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1,328.13797,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1
509987,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1,328.13797,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1
509988,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1,328.13797,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1
509989,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1,328.13797,[M+H]+,30.0,test,Cc1cc(C)n(CCNC(=O)c2cc(C(F)(F)F)nc(C)n2)n1
509990,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O,306.13608,[M+H]+,20.0,test,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O
509991,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O,306.13608,[M+H]+,20.0,test,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O
509992,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O,306.13608,[M+H]+,60.0,test,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O
509993,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O,306.13608,[M+H]+,15.0,test,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O
509994,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O,306.13608,[M+H]+,20.0,test,Cn1ccnc(N2CCC(Oc3ncc(F)cn3)CC2)c1=O
509995,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1,322.11323,[M+H]+,20.0,test,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1
509996,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1,322.11323,[M+H]+,20.0,test,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1
509997,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1,322.11323,[M+H]+,45.0,test,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1
509998,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1,322.11323,[M+H]+,60.0,test,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1
509999,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1,322.11323,[M+H]+,20.0,test,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1
510000,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1,322.11323,[M+H]+,45.0,test,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1
510001,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1,322.11323,[M+H]+,60.0,test,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1
510002,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1,322.11323,[M+H]+,20.0,test,Cc1ncsc1C(=O)N1CCN(c2ncnc(C)c2F)CC1
510003,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1,386.036,[M+H]+,20.0,test,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1
510004,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1,386.036,[M+H]+,20.0,test,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1
510005,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1,386.036,[M+H]+,60.0,test,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1
510006,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1,386.036,[M+H]+,30.0,test,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1
510007,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1,386.036,[M+H]+,20.0,test,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1
510008,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1,386.036,[M+H]+,60.0,test,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1
510009,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1,386.036,[M+H]+,30.0,test,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1
510010,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1,386.036,[M+H]+,20.0,test,Cc1nn(C)cc1CNC(=O)COc1ccc(I)cc1
510011,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1,341.04467,[M+H]+,20.0,test,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1
510012,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1,341.04467,[M+H]+,20.0,test,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1
510013,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1,341.04467,[M+H]+,45.0,test,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1
510014,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1,341.04467,[M+H]+,60.0,test,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1
510015,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1,341.04467,[M+H]+,20.0,test,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1
510016,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1,341.04467,[M+H]+,45.0,test,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1
510017,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1,341.04467,[M+H]+,60.0,test,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1
510018,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1,341.04467,[M+H]+,20.0,test,CC(=O)CSc1nc(SCC(C)=O)c2c(C)c(C)sc2n1
510019,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,271.12005,[M-H]-,20.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510020,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,271.12005,[M-H]-,20.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510021,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,271.12005,[M-H]-,60.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510022,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,271.12005,[M-H]-,30.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510023,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,271.12005,[M-H]-,20.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510024,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,271.12005,[M-H]-,20.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510025,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,271.12005,[M-H]-,20.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510026,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,271.12005,[M-H]-,60.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510027,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,271.12005,[M-H]-,20.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510028,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,271.12005,[M-H]-,45.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510029,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,271.12005,[M-H]-,20.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510030,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,271.12005,[M-H]-,20.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510031,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,271.12005,[M-H]-,60.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510032,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,271.12005,[M-H]-,30.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510033,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,271.12005,[M-H]-,20.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510034,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,271.12005,[M-H]-,60.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510035,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,271.12005,[M-H]-,30.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510036,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,271.12005,[M-H]-,20.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510037,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,271.12005,[M-H]-,20.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510038,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,271.12005,[M-H]-,20.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510039,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,271.12005,[M-H]-,60.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510040,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,271.12005,[M-H]-,20.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510041,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,271.12005,[M-H]-,45.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510042,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,271.12005,[M-H]-,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510043,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,271.12005,[M-H]-,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510044,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,271.12005,[M-H]-,60.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510045,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,271.12005,[M-H]-,30.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510046,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,271.12005,[M-H]-,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510047,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,271.12005,[M-H]-,60.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510048,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,271.12005,[M-H]-,30.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510049,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,271.12005,[M-H]-,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510050,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,317.12553,[M+FA]-,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510051,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,317.12553,[M+FA]-,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510052,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,317.12553,[M+FA]-,60.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510053,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,317.12553,[M+FA]-,15.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510054,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,317.12553,[M+FA]-,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510055,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,271.12005,[M-H]-,20.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510056,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,271.12005,[M-H]-,20.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510057,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,271.12005,[M-H]-,60.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510058,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,271.12005,[M-H]-,15.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510059,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,271.12005,[M-H]-,20.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510060,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,271.12005,[M-H]-,20.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510061,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,271.12005,[M-H]-,20.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510062,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,271.12005,[M-H]-,60.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510063,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,271.12005,[M-H]-,45.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510064,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,271.12005,[M-H]-,60.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510065,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,317.12553,[M+FA]-,20.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510066,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,317.12553,[M+FA]-,60.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510067,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,317.12553,[M+FA]-,20.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510068,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,271.12005,[M-H]-,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510069,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,271.12005,[M-H]-,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510070,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,271.12005,[M-H]-,60.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510071,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,271.12005,[M-H]-,30.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510072,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,271.12005,[M-H]-,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510073,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,271.12005,[M-H]-,20.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510074,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,271.12005,[M-H]-,20.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510075,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,271.12005,[M-H]-,30.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510076,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,271.12005,[M-H]-,60.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510077,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,271.12005,[M-H]-,20.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510078,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,271.12005,[M-H]-,45.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510079,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,271.12005,[M-H]-,60.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510080,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,271.12005,[M-H]-,20.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510081,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,273.1346,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510082,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,273.1346,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510083,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,273.1346,[M+H]+,60.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510084,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,273.1346,[M+H]+,15.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510085,COc1ccc(C2CCN(C(=O)c3n[nH]nc3)C2)cc1,273.1346,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)c3cn[nH]n3)C2)cc1
510086,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,273.1346,[M+H]+,20.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510087,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,273.1346,[M+H]+,20.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510088,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,273.1346,[M+H]+,60.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510089,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,273.1346,[M+H]+,30.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510090,O=C(NOCc1cnccc1)C1CCCc2c1[nH]nc2,273.1346,[M+H]+,20.0,test,O=C(NOCc1cccnc1)C1CCCc2cn[nH]c21
510091,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,255.12404,[M+H-H2O]+,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510092,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,255.12404,[M+H-H2O]+,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510093,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,255.12404,[M+H-H2O]+,60.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510094,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,255.12404,[M+H-H2O]+,15.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510095,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,255.12404,[M+H-H2O]+,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510096,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,273.1346,[M+H]+,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510097,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,273.1346,[M+H]+,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510098,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,273.1346,[M+H]+,60.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510099,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,273.1346,[M+H]+,30.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510100,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1,273.1346,[M+H]+,20.0,test,Cn1cc(CN2Cc3ccccc3CC2C(=O)O)nn1
510101,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,273.1346,[M+H]+,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510102,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,273.1346,[M+H]+,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510103,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,273.1346,[M+H]+,60.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510104,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,273.1346,[M+H]+,15.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510105,CNC(=O)c1cc(NC(=O)c2ccnn2C)c(C)cc1,273.1346,[M+H]+,20.0,test,CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1
510106,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,273.1346,[M+H]+,20.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510107,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,273.1346,[M+H]+,20.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510108,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,273.1346,[M+H]+,60.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510109,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,273.1346,[M+H]+,30.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510110,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,273.1346,[M+H]+,20.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510111,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,273.1346,[M+H]+,60.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510112,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,273.1346,[M+H]+,30.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510113,CC(C(=O)N1CCCc2c1c(O)ccc2)n1cncn1,273.1346,[M+H]+,20.0,test,CC(C(=O)N1CCCc2cccc(O)c21)n1cncn1
510114,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C,273.1346,[M+H]+,20.0,test,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C
510115,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C,273.1346,[M+H]+,20.0,test,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C
510116,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C,273.1346,[M+H]+,60.0,test,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C
510117,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C,273.1346,[M+H]+,30.0,test,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C
510118,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C,273.1346,[M+H]+,20.0,test,CC1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C
510119,Cc1c(NC(=O)N2CCCC2)cc(-c2nnco2)cc1,273.1346,[M+H]+,20.0,test,Cc1ccc(-c2nnco2)cc1NC(=O)N1CCCC1
510120,Cc1c(NC(=O)N2CCCC2)cc(-c2nnco2)cc1,273.1346,[M+H]+,20.0,test,Cc1ccc(-c2nnco2)cc1NC(=O)N1CCCC1
510121,Cc1c(NC(=O)N2CCCC2)cc(-c2nnco2)cc1,273.1346,[M+H]+,60.0,test,Cc1ccc(-c2nnco2)cc1NC(=O)N1CCCC1
510122,Cc1c(NC(=O)N2CCCC2)cc(-c2nnco2)cc1,273.1346,[M+H]+,30.0,test,Cc1ccc(-c2nnco2)cc1NC(=O)N1CCCC1
510123,Cc1c(NC(=O)N2CCCC2)cc(-c2nnco2)cc1,273.1346,[M+H]+,20.0,test,Cc1ccc(-c2nnco2)cc1NC(=O)N1CCCC1
510124,CC(=O)N1CCN(C(=O)c2nc(C)c(C#N)cc2)CC1,273.1346,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1
510125,CC(=O)N1CCN(C(=O)c2nc(C)c(C#N)cc2)CC1,273.1346,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1
510126,CC(=O)N1CCN(C(=O)c2nc(C)c(C#N)cc2)CC1,273.1346,[M+H]+,60.0,test,CC(=O)N1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1
510127,CC(=O)N1CCN(C(=O)c2nc(C)c(C#N)cc2)CC1,273.1346,[M+H]+,30.0,test,CC(=O)N1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1
510128,CC(=O)N1CCN(C(=O)c2nc(C)c(C#N)cc2)CC1,273.1346,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1
510129,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,273.1346,[M+H]+,20.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510130,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,273.1346,[M+H]+,20.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510131,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,273.1346,[M+H]+,60.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510132,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,273.1346,[M+H]+,30.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510133,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1,273.1346,[M+H]+,20.0,test,O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1
510134,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1,273.1346,[M+H]+,20.0,test,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1
510135,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1,273.1346,[M+H]+,20.0,test,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1
510136,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1,273.1346,[M+H]+,60.0,test,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1
510137,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1,273.1346,[M+H]+,30.0,test,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1
510138,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1,273.1346,[M+H]+,20.0,test,Cc1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1
510139,CCc1c(-c2noc(C3CN(C(C)=O)C3)n2)nccc1,273.1346,[M+H]+,20.0,test,CCc1cccnc1-c1noc(C2CN(C(C)=O)C2)n1
510140,CCc1c(-c2noc(C3CN(C(C)=O)C3)n2)nccc1,273.1346,[M+H]+,20.0,test,CCc1cccnc1-c1noc(C2CN(C(C)=O)C2)n1
510141,CCc1c(-c2noc(C3CN(C(C)=O)C3)n2)nccc1,273.1346,[M+H]+,60.0,test,CCc1cccnc1-c1noc(C2CN(C(C)=O)C2)n1
510142,CCc1c(-c2noc(C3CN(C(C)=O)C3)n2)nccc1,273.1346,[M+H]+,30.0,test,CCc1cccnc1-c1noc(C2CN(C(C)=O)C2)n1
510143,CCc1c(-c2noc(C3CN(C(C)=O)C3)n2)nccc1,273.1346,[M+H]+,20.0,test,CCc1cccnc1-c1noc(C2CN(C(C)=O)C2)n1
510144,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,273.1346,[M+H]+,20.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510145,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,273.1346,[M+H]+,20.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510146,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,273.1346,[M+H]+,60.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510147,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,273.1346,[M+H]+,30.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510148,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1,273.1346,[M+H]+,20.0,test,O=C(NC(Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1CC1
510149,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,273.1346,[M+H]+,20.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510150,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,273.1346,[M+H]+,20.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510151,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,273.1346,[M+H]+,60.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510152,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,273.1346,[M+H]+,30.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510153,CC(=O)NC1CCN(C(=O)c2cc3c(cc2)nc[nH]3)C1,273.1346,[M+H]+,20.0,test,CC(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)C1
510154,CO[C@@H]1CCN(C(=O)c2cc(-n3ccnn3)ccc2)C1,273.1346,[M+H]+,20.0,test,CO[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C1
510155,CO[C@@H]1CCN(C(=O)c2cc(-n3ccnn3)ccc2)C1,273.1346,[M+H]+,20.0,test,CO[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C1
510156,CO[C@@H]1CCN(C(=O)c2cc(-n3ccnn3)ccc2)C1,273.1346,[M+H]+,60.0,test,CO[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C1
510157,CO[C@@H]1CCN(C(=O)c2cc(-n3ccnn3)ccc2)C1,273.1346,[M+H]+,30.0,test,CO[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C1
510158,CO[C@@H]1CCN(C(=O)c2cc(-n3ccnn3)ccc2)C1,273.1346,[M+H]+,20.0,test,CO[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C1
510159,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1,273.1346,[M+H]+,20.0,test,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1
510160,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1,273.1346,[M+H]+,20.0,test,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1
510161,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1,273.1346,[M+H]+,60.0,test,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1
510162,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1,273.1346,[M+H]+,15.0,test,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1
510163,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1,273.1346,[M+H]+,20.0,test,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1
510164,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1,273.1346,[M+H]+,60.0,test,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1
510165,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1,273.1346,[M+H]+,15.0,test,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1
510166,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1,273.1346,[M+H]+,20.0,test,COC(C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1
510167,Cc1noc(C(C)Nc2cc3c(cc2)CCNC3=O)n1,273.1346,[M+H]+,20.0,test,Cc1noc(C(C)Nc2ccc3c(c2)C(=O)NCC3)n1
510168,Cc1noc(C(C)Nc2cc3c(cc2)CCNC3=O)n1,273.1346,[M+H]+,20.0,test,Cc1noc(C(C)Nc2ccc3c(c2)C(=O)NCC3)n1
510169,Cc1noc(C(C)Nc2cc3c(cc2)CCNC3=O)n1,273.1346,[M+H]+,60.0,test,Cc1noc(C(C)Nc2ccc3c(c2)C(=O)NCC3)n1
510170,Cc1noc(C(C)Nc2cc3c(cc2)CCNC3=O)n1,273.1346,[M+H]+,15.0,test,Cc1noc(C(C)Nc2ccc3c(c2)C(=O)NCC3)n1
510171,Cc1noc(C(C)Nc2cc3c(cc2)CCNC3=O)n1,273.1346,[M+H]+,20.0,test,Cc1noc(C(C)Nc2ccc3c(c2)C(=O)NCC3)n1
510172,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,273.1346,[M+H]+,20.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510173,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,273.1346,[M+H]+,20.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510174,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,273.1346,[M+H]+,60.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510175,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,273.1346,[M+H]+,20.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510176,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1,273.1346,[M+H]+,45.0,test,O=C(c1ccc[nH]c1=O)N1CCCC(c2ccn[nH]2)C1
510177,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1,273.1346,[M+H]+,20.0,test,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1
510178,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1,273.1346,[M+H]+,20.0,test,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1
510179,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1,273.1346,[M+H]+,45.0,test,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1
510180,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1,273.1346,[M+H]+,60.0,test,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1
510181,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1,273.1346,[M+H]+,20.0,test,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1
510182,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1,273.1346,[M+H]+,45.0,test,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1
510183,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1,273.1346,[M+H]+,60.0,test,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1
510184,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1,273.1346,[M+H]+,20.0,test,CCOC(=O)c1ccc(Nc2nc(C)cc(N)n2)cc1
510185,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1,305.12443,[M+H]+,20.0,test,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1
510186,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1,305.12443,[M+H]+,20.0,test,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1
510187,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1,305.12443,[M+H]+,60.0,test,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1
510188,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1,305.12443,[M+H]+,20.0,test,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1
510189,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1,305.12443,[M+H]+,45.0,test,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1
510190,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1,305.12443,[M+H]+,60.0,test,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1
510191,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1,305.12443,[M+H]+,20.0,test,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1
510192,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1,305.12443,[M+H]+,45.0,test,COC(=O)C1CCc2nnc(CNC(=O)c3ccco3)n2C1
510193,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,287.11387,[M+H-H2O]+,20.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510194,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,287.11387,[M+H-H2O]+,20.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510195,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,287.11387,[M+H-H2O]+,60.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510196,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,287.11387,[M+H-H2O]+,30.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510197,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,287.11387,[M+H-H2O]+,20.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510198,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,305.12443,[M+H]+,20.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510199,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,305.12443,[M+H]+,20.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510200,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,305.12443,[M+H]+,60.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510201,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,305.12443,[M+H]+,30.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510202,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,305.12443,[M+H]+,20.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510203,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,305.12443,[M+H]+,30.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510204,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,305.12443,[M+H]+,60.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510205,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1,305.12443,[M+H]+,20.0,test,Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1
510206,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O,351.07686,[M-H]-,20.0,test,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O
510207,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O,351.07686,[M-H]-,20.0,test,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O
510208,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O,351.07686,[M-H]-,60.0,test,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O
510209,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O,351.07686,[M-H]-,20.0,test,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O
510210,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O,351.07686,[M-H]-,45.0,test,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O
510211,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O,353.09142,[M+H]+,20.0,test,Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O
510212,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,265.11022,[M+H]+,20.0,test,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1
510213,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,265.11022,[M+H]+,20.0,test,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1
510214,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,265.11022,[M+H]+,60.0,test,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1
510215,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,265.11022,[M+H]+,20.0,test,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1
510216,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,265.11022,[M+H]+,45.0,test,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1
510217,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,381.07375,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510218,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,381.07375,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510219,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,381.07375,[M-H]-,60.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510220,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,381.07375,[M-H]-,30.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510221,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,381.07375,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510222,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,383.0883,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510223,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,383.0883,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510224,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,383.0883,[M+H]+,60.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510225,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,383.0883,[M+H]+,15.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510226,NS(=O)(=O)c1cc(C(=O)O)c(N2CCCC(OCC(F)(F)F)C2)cc1,383.0883,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(N2CCCC(OCC(F)(F)F)C2)c(C(=O)O)c1
510227,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,393.08499,[M-H]-,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510228,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,393.08499,[M-H]-,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510229,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,393.08499,[M-H]-,60.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510230,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,393.08499,[M-H]-,30.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510231,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,393.08499,[M-H]-,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510232,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,393.08499,[M-H]-,60.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510233,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,393.08499,[M-H]-,30.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510234,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,393.08499,[M-H]-,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510235,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,429.06166,[M+Cl]-,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510236,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,429.06166,[M+Cl]-,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510237,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,429.06166,[M+Cl]-,60.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510238,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,429.06166,[M+Cl]-,15.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510239,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,429.06166,[M+Cl]-,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510240,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,395.09954,[M+H]+,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510241,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,395.09954,[M+H]+,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510242,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,395.09954,[M+H]+,60.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510243,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,395.09954,[M+H]+,30.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510244,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2,395.09954,[M+H]+,20.0,test,CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c(C(F)(F)F)c1C)C2
510245,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,384.06934,[M+FA]-,20.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510246,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,384.06934,[M+FA]-,60.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510247,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,384.06934,[M+FA]-,15.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510248,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,384.06934,[M+FA]-,20.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510249,CCC1C(=O)NCCN1S(=O)(=O)c1cc2c(cc1)nc(C)s2,340.07841,[M+H]+,20.0,test,CCC1C(=O)NCCN1S(=O)(=O)c1ccc2nc(C)sc2c1
510250,CCC1C(=O)NCCN1S(=O)(=O)c1cc2c(cc1)nc(C)s2,340.07841,[M+H]+,20.0,test,CCC1C(=O)NCCN1S(=O)(=O)c1ccc2nc(C)sc2c1
510251,CCC1C(=O)NCCN1S(=O)(=O)c1cc2c(cc1)nc(C)s2,340.07841,[M+H]+,60.0,test,CCC1C(=O)NCCN1S(=O)(=O)c1ccc2nc(C)sc2c1
510252,CCC1C(=O)NCCN1S(=O)(=O)c1cc2c(cc1)nc(C)s2,340.07841,[M+H]+,30.0,test,CCC1C(=O)NCCN1S(=O)(=O)c1ccc2nc(C)sc2c1
510253,CCC1C(=O)NCCN1S(=O)(=O)c1cc2c(cc1)nc(C)s2,340.07841,[M+H]+,20.0,test,CCC1C(=O)NCCN1S(=O)(=O)c1ccc2nc(C)sc2c1
510254,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,340.07841,[M+H]+,20.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510255,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,340.07841,[M+H]+,20.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510256,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,340.07841,[M+H]+,60.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510257,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,340.07841,[M+H]+,30.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510258,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1,340.07841,[M+H]+,20.0,test,Cn1cc(C(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cccs2)n1
510259,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,338.06386,[M-H]-,20.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510260,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,338.06386,[M-H]-,20.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510261,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,338.06386,[M-H]-,60.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510262,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,338.06386,[M-H]-,15.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510263,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,338.06386,[M-H]-,20.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510264,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,338.06386,[M-H]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510265,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,338.06386,[M-H]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510266,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,338.06386,[M-H]-,60.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510267,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,338.06386,[M-H]-,30.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510268,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,338.06386,[M-H]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510269,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,338.06386,[M-H]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510270,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,338.06386,[M-H]-,30.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510271,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,338.06386,[M-H]-,60.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510272,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,374.04053,[M+Cl]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510273,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,374.04053,[M+Cl]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510274,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,374.04053,[M+Cl]-,60.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510275,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,374.04053,[M+Cl]-,30.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510276,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,374.04053,[M+Cl]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510277,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1,340.07841,[M+H]+,20.0,test,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
510278,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1,340.07841,[M+H]+,20.0,test,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
510279,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1,340.07841,[M+H]+,60.0,test,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
510280,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1,340.07841,[M+H]+,30.0,test,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
510281,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1,340.07841,[M+H]+,20.0,test,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
510282,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1,340.07841,[M+H]+,60.0,test,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
510283,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1,340.07841,[M+H]+,30.0,test,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
510284,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1,340.07841,[M+H]+,20.0,test,Cc1cc(C)nc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
510285,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1,340.07841,[M+H]+,20.0,test,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1
510286,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1,340.07841,[M+H]+,20.0,test,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1
510287,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1,340.07841,[M+H]+,60.0,test,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1
510288,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1,340.07841,[M+H]+,15.0,test,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1
510289,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1,340.07841,[M+H]+,20.0,test,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1
510290,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1,340.07841,[M+H]+,60.0,test,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1
510291,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1,340.07841,[M+H]+,15.0,test,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1
510292,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1,340.07841,[M+H]+,20.0,test,Cc1ccc(OC2CCCN(S(=O)(=O)c3cccs3)C2)nn1
510293,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,340.07841,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510294,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,340.07841,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510295,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,340.07841,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510296,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,340.07841,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510297,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,340.07841,[M+H]+,15.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510298,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,340.07841,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510299,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,340.07841,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510300,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,340.07841,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510301,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,362.06035,[M+Na]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510302,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,362.06035,[M+Na]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510303,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,362.06035,[M+Na]+,45.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510304,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,362.06035,[M+Na]+,60.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510305,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1,362.06035,[M+Na]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)s1
510306,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,340.07841,[M+H]+,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510307,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,340.07841,[M+H]+,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510308,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,340.07841,[M+H]+,60.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510309,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,340.07841,[M+H]+,15.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510310,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2,340.07841,[M+H]+,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)(=O)C2
510311,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,340.07841,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510312,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,340.07841,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510313,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,340.07841,[M+H]+,60.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510314,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,340.07841,[M+H]+,30.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510315,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,340.07841,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510316,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,340.07841,[M+H]+,60.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510317,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,340.07841,[M+H]+,30.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510318,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1,340.07841,[M+H]+,20.0,test,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
510319,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,290.11463,[M-H]-,20.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510320,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,290.11463,[M-H]-,20.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510321,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,290.11463,[M-H]-,60.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510322,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,290.11463,[M-H]-,30.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510323,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,290.11463,[M-H]-,20.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510324,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,292.12918,[M+H]+,20.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510325,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,292.12918,[M+H]+,20.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510326,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,292.12918,[M+H]+,60.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510327,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,292.12918,[M+H]+,30.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510328,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,292.12918,[M+H]+,20.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510329,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,292.12918,[M+H]+,60.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510330,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,292.12918,[M+H]+,30.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510331,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,292.12918,[M+H]+,20.0,test,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
510332,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1,292.12918,[M+H]+,20.0,test,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
510333,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1,292.12918,[M+H]+,20.0,test,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
510334,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1,292.12918,[M+H]+,60.0,test,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
510335,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1,292.12918,[M+H]+,30.0,test,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
510336,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1,292.12918,[M+H]+,20.0,test,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
510337,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1,292.12918,[M+H]+,30.0,test,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
510338,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1,292.12918,[M+H]+,20.0,test,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
510339,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1,292.12918,[M+H]+,60.0,test,NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
510340,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,302.12586,[M-H]-,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510341,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,302.12586,[M-H]-,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510342,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,302.12586,[M-H]-,60.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510343,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,302.12586,[M-H]-,30.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510344,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,302.12586,[M-H]-,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510345,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,302.12586,[M-H]-,60.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510346,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,302.12586,[M-H]-,30.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510347,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,302.12586,[M-H]-,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510348,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,348.13134,[M+FA]-,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510349,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,348.13134,[M+FA]-,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510350,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,348.13134,[M+FA]-,60.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510351,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,348.13134,[M+FA]-,15.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510352,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,348.13134,[M+FA]-,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510353,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510354,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510355,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,60.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510356,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,15.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510357,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510358,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510359,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510360,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,60.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510361,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,15.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510362,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1,304.14042,[M+H]+,20.0,test,CCC(=O)NC(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1
510363,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510364,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510365,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510366,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510367,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,45.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510368,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510369,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510370,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510371,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510372,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510373,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510374,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510375,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,304.14042,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
510376,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,302.12586,[M-H]-,20.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510377,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,302.12586,[M-H]-,20.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510378,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,302.12586,[M-H]-,30.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510379,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,302.12586,[M-H]-,20.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510380,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,348.13134,[M+FA]-,20.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510381,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,348.13134,[M+FA]-,20.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510382,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,348.13134,[M+FA]-,60.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510383,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,348.13134,[M+FA]-,15.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510384,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,348.13134,[M+FA]-,20.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510385,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,304.14042,[M+H]+,15.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510386,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,304.14042,[M+H]+,15.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510387,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,304.14042,[M+H]+,20.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510388,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,304.14042,[M+H]+,60.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510389,COc1nn(C)cc1C(=O)NCC(=O)NCc1cnccc1,304.14042,[M+H]+,15.0,test,COc1nn(C)cc1C(=O)NCC(=O)NCc1cccnc1
510390,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1,304.14042,[M+H]+,20.0,test,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1
510391,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1,304.14042,[M+H]+,20.0,test,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1
510392,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1,304.14042,[M+H]+,45.0,test,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1
510393,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1,304.14042,[M+H]+,60.0,test,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1
510394,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1,304.14042,[M+H]+,20.0,test,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1
510395,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1,304.14042,[M+H]+,20.0,test,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1
510396,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1,304.14042,[M+H]+,60.0,test,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1
510397,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1,304.14042,[M+H]+,45.0,test,COc1nc(OC)nc(N2CC(COc3cccnc3)C2)n1
510398,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,304.14042,[M+H]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510399,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,304.14042,[M+H]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510400,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,304.14042,[M+H]+,45.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510401,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,304.14042,[M+H]+,60.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510402,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,304.14042,[M+H]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510403,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,326.12236,[M+Na]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510404,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,326.12236,[M+Na]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510405,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,326.12236,[M+Na]+,60.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510406,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,326.12236,[M+Na]+,30.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510407,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,326.12236,[M+Na]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510408,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,326.12236,[M+Na]+,30.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510409,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,326.12236,[M+Na]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510410,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1,326.12236,[M+Na]+,60.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC1CCCO1
510411,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12,304.14042,[M+H]+,20.0,test,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12
510412,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12,304.14042,[M+H]+,20.0,test,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12
510413,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12,304.14042,[M+H]+,45.0,test,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12
510414,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12,304.14042,[M+H]+,60.0,test,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12
510415,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12,304.14042,[M+H]+,20.0,test,CC(=O)Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12
510416,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1,304.14042,[M+H]+,20.0,test,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1
510417,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1,304.14042,[M+H]+,20.0,test,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1
510418,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1,304.14042,[M+H]+,60.0,test,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1
510419,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1,304.14042,[M+H]+,30.0,test,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1
510420,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1,304.14042,[M+H]+,20.0,test,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1
510421,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1,304.14042,[M+H]+,20.0,test,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1
510422,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1,304.14042,[M+H]+,30.0,test,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1
510423,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1,304.14042,[M+H]+,60.0,test,COc1nn(C)cc1C(=O)N1CCC(Oc2cccnn2)C1
510424,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1,320.09981,[M+H]+,20.0,test,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1
510425,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1,320.09981,[M+H]+,20.0,test,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1
510426,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1,320.09981,[M+H]+,30.0,test,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1
510427,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1,320.09981,[M+H]+,60.0,test,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1
510428,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1,320.09981,[M+H]+,15.0,test,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1
510429,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1,320.09981,[M+H]+,20.0,test,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1
510430,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1,320.09981,[M+H]+,60.0,test,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1
510431,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1,320.09981,[M+H]+,20.0,test,c1csc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1
510432,CCN(C[C@@H](C)O)C(=O)c1cc2c(cc1)scc2,264.10528,[M+H]+,20.0,test,CCN(C[C@@H](C)O)C(=O)c1ccc2sccc2c1
510433,CCN(C[C@@H](C)O)C(=O)c1cc2c(cc1)scc2,264.10528,[M+H]+,20.0,test,CCN(C[C@@H](C)O)C(=O)c1ccc2sccc2c1
510434,CCN(C[C@@H](C)O)C(=O)c1cc2c(cc1)scc2,264.10528,[M+H]+,30.0,test,CCN(C[C@@H](C)O)C(=O)c1ccc2sccc2c1
510435,CCN(C[C@@H](C)O)C(=O)c1cc2c(cc1)scc2,264.10528,[M+H]+,60.0,test,CCN(C[C@@H](C)O)C(=O)c1ccc2sccc2c1
510436,CCN(C[C@@H](C)O)C(=O)c1cc2c(cc1)scc2,264.10528,[M+H]+,15.0,test,CCN(C[C@@H](C)O)C(=O)c1ccc2sccc2c1
510437,CCN(C[C@@H](C)O)C(=O)c1cc2c(cc1)scc2,264.10528,[M+H]+,20.0,test,CCN(C[C@@H](C)O)C(=O)c1ccc2sccc2c1
510438,CCN(C[C@@H](C)O)C(=O)c1cc2c(cc1)scc2,264.10528,[M+H]+,60.0,test,CCN(C[C@@H](C)O)C(=O)c1ccc2sccc2c1
510439,CCN(C[C@@H](C)O)C(=O)c1cc2c(cc1)scc2,264.10528,[M+H]+,20.0,test,CCN(C[C@@H](C)O)C(=O)c1ccc2sccc2c1
510440,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,342.04754,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510441,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,342.04754,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510442,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,342.04754,[M-H]-,60.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510443,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,342.04754,[M-H]-,15.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510444,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,342.04754,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510445,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,344.06209,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510446,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,344.06209,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510447,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,344.06209,[M+H]+,60.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510448,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,344.06209,[M+H]+,30.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510449,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1,344.06209,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)O)CC=CCC2)s1
510450,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,340.10379,[M+FA]-,20.0,test,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
510451,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,340.10379,[M+FA]-,20.0,test,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
510452,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,340.10379,[M+FA]-,60.0,test,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
510453,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,340.10379,[M+FA]-,15.0,test,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
510454,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,340.10379,[M+FA]-,20.0,test,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
510455,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,340.10379,[M+FA]-,60.0,test,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
510456,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,340.10379,[M+FA]-,15.0,test,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
510457,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,340.10379,[M+FA]-,20.0,test,N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
510458,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2,294.09831,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2
510459,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2,294.09831,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2
510460,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2,294.09831,[M-H]-,60.0,test,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2
510461,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2,294.09831,[M-H]-,15.0,test,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2
510462,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2,294.09831,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2c(c1)OCO2
510463,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O,340.10379,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
510464,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O,340.10379,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
510465,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O,340.10379,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
510466,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O,340.10379,[M+FA]-,15.0,test,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
510467,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O,340.10379,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
510468,N#CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)cc1,356.0987,[M+FA]-,20.0,test,N#CCc1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510469,N#CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)cc1,356.0987,[M+FA]-,20.0,test,N#CCc1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510470,N#CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)cc1,356.0987,[M+FA]-,60.0,test,N#CCc1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510471,N#CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)cc1,356.0987,[M+FA]-,15.0,test,N#CCc1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510472,N#CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)cc1,356.0987,[M+FA]-,20.0,test,N#CCc1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510473,CCCCN(CC)c1c2cc(Br)ccc2ncn1,308.07569,[M+H]+,20.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510474,CCCCN(CC)c1c2cc(Br)ccc2ncn1,308.07569,[M+H]+,20.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510475,CCCCN(CC)c1c2cc(Br)ccc2ncn1,308.07569,[M+H]+,60.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510476,CCCCN(CC)c1c2cc(Br)ccc2ncn1,308.07569,[M+H]+,20.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510477,CCCCN(CC)c1c2cc(Br)ccc2ncn1,308.07569,[M+H]+,45.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510478,CCCCN(CC)c1ncnc2ccc(Br)cc12,308.07569,[M+H]+,20.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510479,CCCCN(CC)c1ncnc2ccc(Br)cc12,308.07569,[M+H]+,20.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510480,CCCCN(CC)c1ncnc2ccc(Br)cc12,308.07569,[M+H]+,45.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510481,CCCCN(CC)c1ncnc2ccc(Br)cc12,308.07569,[M+H]+,60.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510482,CCCCN(CC)c1ncnc2ccc(Br)cc12,308.07569,[M+H]+,20.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510483,CCCCN(CC)c1ncnc2ccc(Br)cc12,308.07569,[M+H]+,20.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510484,CCCCN(CC)c1ncnc2ccc(Br)cc12,308.07569,[M+H]+,45.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510485,CCCCN(CC)c1ncnc2ccc(Br)cc12,308.07569,[M+H]+,60.0,test,CCCCN(CC)c1ncnc2ccc(Br)cc12
510486,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1,296.06445,[M+H]+,20.0,test,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
510487,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1,296.06445,[M+H]+,20.0,test,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
510488,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1,296.06445,[M+H]+,45.0,test,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
510489,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1,296.06445,[M+H]+,60.0,test,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
510490,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1,296.06445,[M+H]+,20.0,test,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
510491,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1,296.06445,[M+H]+,20.0,test,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
510492,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1,296.06445,[M+H]+,45.0,test,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
510493,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1,296.06445,[M+H]+,60.0,test,CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
510494,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,372.04521,[M+FA]-,20.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510495,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,372.04521,[M+FA]-,20.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510496,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,372.04521,[M+FA]-,60.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510497,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,372.04521,[M+FA]-,15.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510498,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,372.04521,[M+FA]-,20.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510499,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,328.05428,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510500,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,328.05428,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510501,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,328.05428,[M+H]+,60.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510502,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,328.05428,[M+H]+,30.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510503,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br,328.05428,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCCC2)cc(OC)c1Br
510504,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,310.04372,[M+H-H2O]+,20.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510505,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,310.04372,[M+H-H2O]+,20.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510506,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,310.04372,[M+H-H2O]+,60.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510507,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,310.04372,[M+H-H2O]+,30.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510508,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,310.04372,[M+H-H2O]+,20.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510509,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,328.05428,[M+H]+,15.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510510,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,328.05428,[M+H]+,15.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510511,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,328.05428,[M+H]+,60.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510512,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,328.05428,[M+H]+,20.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510513,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1,328.05428,[M+H]+,15.0,test,COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
510514,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1,328.05428,[M+H]+,20.0,test,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1
510515,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1,328.05428,[M+H]+,20.0,test,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1
510516,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1,328.05428,[M+H]+,60.0,test,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1
510517,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1,328.05428,[M+H]+,30.0,test,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1
510518,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1,328.05428,[M+H]+,20.0,test,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1
510519,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1,328.05428,[M+H]+,20.0,test,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1
510520,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1,328.05428,[M+H]+,30.0,test,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1
510521,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1,328.05428,[M+H]+,60.0,test,CCCOc1ccc(Br)cc1C(=O)N1CCOCC1
510522,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1,316.05911,[M+H]+,20.0,test,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1
510523,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1,316.05911,[M+H]+,20.0,test,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1
510524,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1,316.05911,[M+H]+,60.0,test,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1
510525,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1,316.05911,[M+H]+,30.0,test,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1
510526,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1,316.05911,[M+H]+,20.0,test,O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1
510527,Cc1c(S(=O)(=O)NC2CCCOCC2)ccc(C(F)(F)F)c1,336.08867,[M-H]-,20.0,test,Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCOCC1
510528,Cc1c(S(=O)(=O)NC2CCCOCC2)ccc(C(F)(F)F)c1,336.08867,[M-H]-,20.0,test,Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCOCC1
510529,Cc1c(S(=O)(=O)NC2CCCOCC2)ccc(C(F)(F)F)c1,336.08867,[M-H]-,60.0,test,Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCOCC1
510530,Cc1c(S(=O)(=O)NC2CCCOCC2)ccc(C(F)(F)F)c1,336.08867,[M-H]-,20.0,test,Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCOCC1
510531,Cc1c(S(=O)(=O)NC2CCCOCC2)ccc(C(F)(F)F)c1,336.08867,[M-H]-,45.0,test,Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCOCC1
510532,Cc1c(S(=O)(=O)NC2CCCOCC2)ccc(C(F)(F)F)c1,336.08867,[M-H]-,60.0,test,Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCOCC1
510533,Cc1c(S(=O)(=O)NC2CCCOCC2)ccc(C(F)(F)F)c1,336.08867,[M-H]-,20.0,test,Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCOCC1
510534,Cc1c(S(=O)(=O)NC2CCCOCC2)ccc(C(F)(F)F)c1,336.08867,[M-H]-,45.0,test,Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCOCC1
510535,CCS(=O)(=O)CC(=O)N1CCCC1c1cc(F)ccc1,300.10642,[M+H]+,20.0,test,CCS(=O)(=O)CC(=O)N1CCCC1c1cccc(F)c1
510536,CCS(=O)(=O)CC(=O)N1CCCC1c1cc(F)ccc1,300.10642,[M+H]+,20.0,test,CCS(=O)(=O)CC(=O)N1CCCC1c1cccc(F)c1
510537,CCS(=O)(=O)CC(=O)N1CCCC1c1cc(F)ccc1,300.10642,[M+H]+,60.0,test,CCS(=O)(=O)CC(=O)N1CCCC1c1cccc(F)c1
510538,CCS(=O)(=O)CC(=O)N1CCCC1c1cc(F)ccc1,300.10642,[M+H]+,30.0,test,CCS(=O)(=O)CC(=O)N1CCCC1c1cccc(F)c1
510539,CCS(=O)(=O)CC(=O)N1CCCC1c1cc(F)ccc1,300.10642,[M+H]+,20.0,test,CCS(=O)(=O)CC(=O)N1CCCC1c1cccc(F)c1
510540,CCS(=O)(=O)CC(=O)N1CCCC1c1cc(F)ccc1,300.10642,[M+H]+,60.0,test,CCS(=O)(=O)CC(=O)N1CCCC1c1cccc(F)c1
510541,CCS(=O)(=O)CC(=O)N1CCCC1c1cc(F)ccc1,300.10642,[M+H]+,30.0,test,CCS(=O)(=O)CC(=O)N1CCCC1c1cccc(F)c1
510542,CCS(=O)(=O)CC(=O)N1CCCC1c1cc(F)ccc1,300.10642,[M+H]+,20.0,test,CCS(=O)(=O)CC(=O)N1CCCC1c1cccc(F)c1
510543,Cc1csc(C(C)NC(=O)c2c(C(C)C)cco2)n1,279.11617,[M+H]+,20.0,test,Cc1csc(C(C)NC(=O)c2occc2C(C)C)n1
510544,Cc1csc(C(C)NC(=O)c2c(C(C)C)cco2)n1,279.11617,[M+H]+,20.0,test,Cc1csc(C(C)NC(=O)c2occc2C(C)C)n1
510545,Cc1csc(C(C)NC(=O)c2c(C(C)C)cco2)n1,279.11617,[M+H]+,60.0,test,Cc1csc(C(C)NC(=O)c2occc2C(C)C)n1
510546,Cc1csc(C(C)NC(=O)c2c(C(C)C)cco2)n1,279.11617,[M+H]+,30.0,test,Cc1csc(C(C)NC(=O)c2occc2C(C)C)n1
510547,Cc1csc(C(C)NC(=O)c2c(C(C)C)cco2)n1,279.11617,[M+H]+,20.0,test,Cc1csc(C(C)NC(=O)c2occc2C(C)C)n1
510548,Cc1csc(C(C)NC(=O)c2c(C(C)C)cco2)n1,279.11617,[M+H]+,60.0,test,Cc1csc(C(C)NC(=O)c2occc2C(C)C)n1
510549,Cc1csc(C(C)NC(=O)c2c(C(C)C)cco2)n1,279.11617,[M+H]+,30.0,test,Cc1csc(C(C)NC(=O)c2occc2C(C)C)n1
510550,Cc1csc(C(C)NC(=O)c2c(C(C)C)cco2)n1,279.11617,[M+H]+,20.0,test,Cc1csc(C(C)NC(=O)c2occc2C(C)C)n1
510551,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510552,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510553,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510554,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510555,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510556,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,293.09654,[M-H]-,20.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510557,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,293.09654,[M-H]-,20.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510558,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,293.09654,[M-H]-,60.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510559,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,293.09654,[M-H]-,20.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510560,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,293.09654,[M-H]-,45.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510561,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,293.09654,[M-H]-,60.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510562,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,293.09654,[M-H]-,20.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510563,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,293.09654,[M-H]-,45.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510564,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,293.09654,[M-H]-,20.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510565,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,293.09654,[M-H]-,20.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510566,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,293.09654,[M-H]-,60.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510567,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,293.09654,[M-H]-,30.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510568,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,293.09654,[M-H]-,20.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510569,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510570,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510571,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510572,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510573,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,293.09654,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510574,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,295.11109,[M+H]+,20.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510575,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,295.11109,[M+H]+,20.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510576,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,295.11109,[M+H]+,60.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510577,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,295.11109,[M+H]+,30.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510578,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,295.11109,[M+H]+,20.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510579,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,295.11109,[M+H]+,60.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510580,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,295.11109,[M+H]+,30.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510581,O=C(NS(=O)(=O)Cc1cnccc1)C1CCC2CC2C1,295.11109,[M+H]+,20.0,test,O=C(NS(=O)(=O)Cc1cccnc1)C1CCC2CC2C1
510582,CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)ncc2)C1,295.11109,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)c2ccnc(C3CC3)c2)C1
510583,CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)ncc2)C1,295.11109,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)c2ccnc(C3CC3)c2)C1
510584,CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)ncc2)C1,295.11109,[M+H]+,60.0,test,CS(=O)(=O)C1CCN(C(=O)c2ccnc(C3CC3)c2)C1
510585,CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)ncc2)C1,295.11109,[M+H]+,15.0,test,CS(=O)(=O)C1CCN(C(=O)c2ccnc(C3CC3)c2)C1
510586,CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)ncc2)C1,295.11109,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)c2ccnc(C3CC3)c2)C1
510587,CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)ncc2)C1,295.11109,[M+H]+,45.0,test,CS(=O)(=O)C1CCN(C(=O)c2ccnc(C3CC3)c2)C1
510588,CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)ncc2)C1,295.11109,[M+H]+,60.0,test,CS(=O)(=O)C1CCN(C(=O)c2ccnc(C3CC3)c2)C1
510589,CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)ncc2)C1,295.11109,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)c2ccnc(C3CC3)c2)C1
510590,Cc1c(C)cc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1,295.11109,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1C
510591,Cc1c(C)cc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1,295.11109,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1C
510592,Cc1c(C)cc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1,295.11109,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1C
510593,Cc1c(C)cc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1,295.11109,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1C
510594,Cc1c(C)cc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1,295.11109,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1C
510595,Cc1c(C)cc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1,295.11109,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1C
510596,Cc1c(C)cc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1,295.11109,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1C
510597,Cc1c(C)cc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1,295.11109,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)Cc2noc(C(C)C)n2)cc1C
510598,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,295.11109,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510599,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,295.11109,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510600,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,295.11109,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510601,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,295.11109,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510602,Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)c2)cc1,295.11109,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)on2)c(C)c1
510603,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,295.11109,[M+H]+,20.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510604,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,295.11109,[M+H]+,20.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510605,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,295.11109,[M+H]+,60.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510606,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,295.11109,[M+H]+,30.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510607,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1,295.11109,[M+H]+,20.0,test,CC1CC1C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1
510608,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1,325.06861,[M-H]-,20.0,test,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1
510609,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1,325.06861,[M-H]-,20.0,test,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1
510610,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1,325.06861,[M-H]-,45.0,test,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1
510611,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1,325.06861,[M-H]-,60.0,test,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1
510612,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1,325.06861,[M-H]-,20.0,test,CCCCSc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1
510613,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,301.12409,[M-H]-,20.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510614,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,301.12409,[M-H]-,20.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510615,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,301.12409,[M-H]-,60.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510616,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,301.12409,[M-H]-,30.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510617,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,301.12409,[M-H]-,20.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510618,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,303.13864,[M+H]+,20.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510619,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,303.13864,[M+H]+,20.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510620,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,303.13864,[M+H]+,30.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510621,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,303.13864,[M+H]+,60.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510622,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,303.13864,[M+H]+,20.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510623,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,303.13864,[M+H]+,45.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510624,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,303.13864,[M+H]+,20.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510625,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1,303.13864,[M+H]+,60.0,test,Cc1cc(NC2CN(c3nnc(C)s3)C2)nc(C2CC2)n1
510626,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1,303.13864,[M+H]+,20.0,test,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1
510627,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1,303.13864,[M+H]+,20.0,test,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1
510628,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1,303.13864,[M+H]+,60.0,test,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1
510629,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1,303.13864,[M+H]+,30.0,test,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1
510630,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1,303.13864,[M+H]+,20.0,test,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1
510631,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1,303.13864,[M+H]+,45.0,test,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1
510632,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1,303.13864,[M+H]+,20.0,test,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1
510633,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1,303.13864,[M+H]+,60.0,test,Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1
510634,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,330.07816,[M-H]-,20.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510635,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,330.07816,[M-H]-,20.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510636,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,330.07816,[M-H]-,60.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510637,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,330.07816,[M-H]-,20.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510638,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,330.07816,[M-H]-,45.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510639,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,332.09271,[M+H]+,20.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510640,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,332.09271,[M+H]+,20.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510641,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,332.09271,[M+H]+,30.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510642,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,332.09271,[M+H]+,60.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510643,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,332.09271,[M+H]+,15.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510644,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,332.09271,[M+H]+,20.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510645,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,332.09271,[M+H]+,60.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510646,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1,332.09271,[M+H]+,20.0,test,CN1CCN(C)C(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1
510647,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,314.10771,[M-H]-,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510648,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,314.10771,[M-H]-,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510649,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,314.10771,[M-H]-,60.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510650,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,314.10771,[M-H]-,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510651,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,314.10771,[M-H]-,45.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510652,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,314.10771,[M-H]-,60.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510653,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,314.10771,[M-H]-,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510654,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,314.10771,[M-H]-,45.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510655,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,350.08438,[M+Cl]-,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510656,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,350.08438,[M+Cl]-,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510657,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,350.08438,[M+Cl]-,60.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510658,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,350.08438,[M+Cl]-,15.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510659,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,350.08438,[M+Cl]-,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510660,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,316.12226,[M+H]+,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510661,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,316.12226,[M+H]+,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510662,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,316.12226,[M+H]+,60.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510663,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,316.12226,[M+H]+,15.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510664,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1,316.12226,[M+H]+,20.0,test,C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
510665,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,327.11171,[M+FA]-,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510666,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,327.11171,[M+FA]-,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510667,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,327.11171,[M+FA]-,60.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510668,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,327.11171,[M+FA]-,15.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510669,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,327.11171,[M+FA]-,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510670,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,265.11022,[M+H-H2O]+,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510671,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,265.11022,[M+H-H2O]+,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510672,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,265.11022,[M+H-H2O]+,60.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510673,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,265.11022,[M+H-H2O]+,30.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510674,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,265.11022,[M+H-H2O]+,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510675,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,283.12078,[M+H]+,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510676,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,283.12078,[M+H]+,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510677,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,283.12078,[M+H]+,60.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510678,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,283.12078,[M+H]+,15.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510679,CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2)C1,283.12078,[M+H]+,20.0,test,CCC1(O)CCN(C(=O)NCc2cccc(Cl)c2)C1
510680,Cc1c(Cl)cc(C(=O)NCC2CN(C)CCO2)cc1,283.12078,[M+H]+,20.0,test,Cc1ccc(C(=O)NCC2CN(C)CCO2)cc1Cl
510681,Cc1c(Cl)cc(C(=O)NCC2CN(C)CCO2)cc1,283.12078,[M+H]+,20.0,test,Cc1ccc(C(=O)NCC2CN(C)CCO2)cc1Cl
510682,Cc1c(Cl)cc(C(=O)NCC2CN(C)CCO2)cc1,283.12078,[M+H]+,60.0,test,Cc1ccc(C(=O)NCC2CN(C)CCO2)cc1Cl
510683,Cc1c(Cl)cc(C(=O)NCC2CN(C)CCO2)cc1,283.12078,[M+H]+,30.0,test,Cc1ccc(C(=O)NCC2CN(C)CCO2)cc1Cl
510684,Cc1c(Cl)cc(C(=O)NCC2CN(C)CCO2)cc1,283.12078,[M+H]+,20.0,test,Cc1ccc(C(=O)NCC2CN(C)CCO2)cc1Cl
510685,Cc1c(Cl)cc(C(=O)NCC2CN(C)CCO2)cc1,283.12078,[M+H]+,60.0,test,Cc1ccc(C(=O)NCC2CN(C)CCO2)cc1Cl
510686,Cc1c(Cl)cc(C(=O)NCC2CN(C)CCO2)cc1,283.12078,[M+H]+,30.0,test,Cc1ccc(C(=O)NCC2CN(C)CCO2)cc1Cl
510687,Cc1c(Cl)cc(C(=O)NCC2CN(C)CCO2)cc1,283.12078,[M+H]+,20.0,test,Cc1ccc(C(=O)NCC2CN(C)CCO2)cc1Cl
510688,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510689,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510690,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,60.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510691,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,30.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510692,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510693,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,60.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510694,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,30.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510695,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510696,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,317.08291,[M+Cl]-,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510697,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,317.08291,[M+Cl]-,60.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510698,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,317.08291,[M+Cl]-,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510699,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510700,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510701,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,60.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510702,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,30.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510703,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510704,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,60.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510705,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,30.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510706,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,283.12078,[M+H]+,20.0,test,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
510707,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1,283.12078,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1
510708,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1,283.12078,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1
510709,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1,283.12078,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1
510710,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1,283.12078,[M+H]+,30.0,test,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1
510711,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1,283.12078,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCc2cc(N)c(Cl)cc2C1
510712,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1,331.08777,[M+H]+,20.0,test,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1
510713,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1,331.08777,[M+H]+,20.0,test,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1
510714,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1,331.08777,[M+H]+,60.0,test,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1
510715,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1,331.08777,[M+H]+,30.0,test,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1
510716,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1,331.08777,[M+H]+,20.0,test,CN(Cc1ccc(Cl)cc1)C(=O)CC1(C)CCS(=O)(=O)N1
510717,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl,331.08777,[M+H]+,20.0,test,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl
510718,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl,331.08777,[M+H]+,20.0,test,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl
510719,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl,331.08777,[M+H]+,45.0,test,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl
510720,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl,331.08777,[M+H]+,60.0,test,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl
510721,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl,331.08777,[M+H]+,20.0,test,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl
510722,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl,331.08777,[M+H]+,45.0,test,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl
510723,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl,331.08777,[M+H]+,60.0,test,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl
510724,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl,331.08777,[M+H]+,20.0,test,O=S(=O)(NC1CN(C2CCOCC2)C1)c1ccccc1Cl
510725,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,340.09727,[M-H]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510726,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,340.09727,[M-H]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510727,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,340.09727,[M-H]-,60.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510728,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,340.09727,[M-H]-,15.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510729,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,340.09727,[M-H]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510730,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,376.07394,[M+Cl]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510731,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,376.07394,[M+Cl]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510732,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,376.07394,[M+Cl]-,60.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510733,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,376.07394,[M+Cl]-,15.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510734,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,376.07394,[M+Cl]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510735,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,386.10274,[M+FA]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510736,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,386.10274,[M+FA]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510737,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,386.10274,[M+FA]-,60.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510738,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,386.10274,[M+FA]-,15.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510739,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,386.10274,[M+FA]-,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510740,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,342.11182,[M+H]+,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510741,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,342.11182,[M+H]+,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510742,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,342.11182,[M+H]+,60.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510743,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,342.11182,[M+H]+,15.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510744,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C,342.11182,[M+H]+,20.0,test,CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
510745,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,334.15208,[M+FA]-,20.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510746,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,334.15208,[M+FA]-,60.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510747,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,334.15208,[M+FA]-,15.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510748,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,334.15208,[M+FA]-,20.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510749,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,288.1466,[M-H]-,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510750,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,288.1466,[M-H]-,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510751,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,288.1466,[M-H]-,60.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510752,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,288.1466,[M-H]-,30.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510753,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,288.1466,[M-H]-,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510754,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,288.1466,[M-H]-,60.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510755,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,288.1466,[M-H]-,30.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510756,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,288.1466,[M-H]-,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510757,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,334.15208,[M+FA]-,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510758,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,334.15208,[M+FA]-,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510759,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,334.15208,[M+FA]-,60.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510760,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,334.15208,[M+FA]-,15.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510761,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,334.15208,[M+FA]-,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510762,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,288.1466,[M-H]-,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510763,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,288.1466,[M-H]-,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510764,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,288.1466,[M-H]-,60.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510765,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,288.1466,[M-H]-,30.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510766,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,288.1466,[M-H]-,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510767,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,288.1466,[M-H]-,60.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510768,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,288.1466,[M-H]-,30.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510769,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,288.1466,[M-H]-,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510770,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,324.12328,[M+Cl]-,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510771,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,324.12328,[M+Cl]-,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510772,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,324.12328,[M+Cl]-,60.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510773,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,324.12328,[M+Cl]-,15.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510774,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,324.12328,[M+Cl]-,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510775,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,288.1466,[M-H]-,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510776,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,288.1466,[M-H]-,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510777,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,288.1466,[M-H]-,60.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510778,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,288.1466,[M-H]-,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510779,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,288.1466,[M-H]-,60.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510780,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,290.16115,[M+H]+,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510781,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,290.16115,[M+H]+,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510782,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,290.16115,[M+H]+,60.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510783,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,290.16115,[M+H]+,30.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510784,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1,290.16115,[M+H]+,20.0,test,Cc1cc(=O)[nH]c(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
510785,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,271.14277,[M-H2O]+,20.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510786,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,271.14277,[M-H2O]+,20.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510787,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,271.14277,[M-H2O]+,60.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510788,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,271.14277,[M-H2O]+,30.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510789,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,271.14277,[M-H2O]+,20.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510790,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,271.14277,[M-H2O]+,60.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510791,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,271.14277,[M-H2O]+,30.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510792,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,271.14277,[M-H2O]+,20.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510793,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,290.16115,[M+H]+,20.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510794,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,290.16115,[M+H]+,20.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510795,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,290.16115,[M+H]+,60.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510796,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,290.16115,[M+H]+,15.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510797,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1,290.16115,[M+H]+,20.0,test,COc1ccc(Cn2nnnc2N2CCCOCC2)cc1
510798,COc1nc(N2CC(OC)(c3ccnn3C)C2)nc(C)c1,290.16115,[M+H]+,20.0,test,COc1cc(C)nc(N2CC(OC)(c3ccnn3C)C2)n1
510799,COc1nc(N2CC(OC)(c3ccnn3C)C2)nc(C)c1,290.16115,[M+H]+,20.0,test,COc1cc(C)nc(N2CC(OC)(c3ccnn3C)C2)n1
510800,COc1nc(N2CC(OC)(c3ccnn3C)C2)nc(C)c1,290.16115,[M+H]+,60.0,test,COc1cc(C)nc(N2CC(OC)(c3ccnn3C)C2)n1
510801,COc1nc(N2CC(OC)(c3ccnn3C)C2)nc(C)c1,290.16115,[M+H]+,30.0,test,COc1cc(C)nc(N2CC(OC)(c3ccnn3C)C2)n1
510802,COc1nc(N2CC(OC)(c3ccnn3C)C2)nc(C)c1,290.16115,[M+H]+,20.0,test,COc1cc(C)nc(N2CC(OC)(c3ccnn3C)C2)n1
510803,COc1nc(N2CC(OC)(c3ccnn3C)C2)nc(C)c1,290.16115,[M+H]+,60.0,test,COc1cc(C)nc(N2CC(OC)(c3ccnn3C)C2)n1
510804,COc1nc(N2CC(OC)(c3ccnn3C)C2)nc(C)c1,290.16115,[M+H]+,30.0,test,COc1cc(C)nc(N2CC(OC)(c3ccnn3C)C2)n1
510805,COc1nc(N2CC(OC)(c3ccnn3C)C2)nc(C)c1,290.16115,[M+H]+,20.0,test,COc1cc(C)nc(N2CC(OC)(c3ccnn3C)C2)n1
510806,Cc1nn(C)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1,290.16115,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n(C)n1
510807,Cc1nn(C)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1,290.16115,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n(C)n1
510808,Cc1nn(C)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1,290.16115,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n(C)n1
510809,Cc1nn(C)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1,290.16115,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n(C)n1
510810,Cc1nn(C)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1,290.16115,[M+H]+,15.0,test,Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n(C)n1
510811,Cc1nn(C)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1,290.16115,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n(C)n1
510812,Cc1nn(C)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1,290.16115,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n(C)n1
510813,Cc1nn(C)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1,290.16115,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n(C)n1
510814,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,290.16115,[M+H]+,20.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510815,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,290.16115,[M+H]+,20.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510816,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,290.16115,[M+H]+,60.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510817,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,290.16115,[M+H]+,30.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510818,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,290.16115,[M+H]+,20.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510819,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,290.16115,[M+H]+,60.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510820,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,290.16115,[M+H]+,30.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510821,C[C@@H]1COCCN1Cc1cn(-c2cc(CO)ncc2)nn1,290.16115,[M+H]+,20.0,test,C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1
510822,Cn1cnc(C(=O)NCC2(c3cn(C)nc3)CCCO2)c1,290.16115,[M+H]+,20.0,test,Cn1cnc(C(=O)NCC2(c3cnn(C)c3)CCCO2)c1
510823,Cn1cnc(C(=O)NCC2(c3cn(C)nc3)CCCO2)c1,290.16115,[M+H]+,20.0,test,Cn1cnc(C(=O)NCC2(c3cnn(C)c3)CCCO2)c1
510824,Cn1cnc(C(=O)NCC2(c3cn(C)nc3)CCCO2)c1,290.16115,[M+H]+,60.0,test,Cn1cnc(C(=O)NCC2(c3cnn(C)c3)CCCO2)c1
510825,Cn1cnc(C(=O)NCC2(c3cn(C)nc3)CCCO2)c1,290.16115,[M+H]+,15.0,test,Cn1cnc(C(=O)NCC2(c3cnn(C)c3)CCCO2)c1
510826,Cn1cnc(C(=O)NCC2(c3cn(C)nc3)CCCO2)c1,290.16115,[M+H]+,20.0,test,Cn1cnc(C(=O)NCC2(c3cnn(C)c3)CCCO2)c1
510827,Cn1cnc(C(=O)NCC2(c3cn(C)nc3)CCCO2)c1,290.16115,[M+H]+,60.0,test,Cn1cnc(C(=O)NCC2(c3cnn(C)c3)CCCO2)c1
510828,Cn1cnc(C(=O)NCC2(c3cn(C)nc3)CCCO2)c1,290.16115,[M+H]+,15.0,test,Cn1cnc(C(=O)NCC2(c3cnn(C)c3)CCCO2)c1
510829,Cn1cnc(C(=O)NCC2(c3cn(C)nc3)CCCO2)c1,290.16115,[M+H]+,20.0,test,Cn1cnc(C(=O)NCC2(c3cnn(C)c3)CCCO2)c1
510830,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,271.14277,[M-H2O]+,20.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510831,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,271.14277,[M-H2O]+,20.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510832,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,271.14277,[M-H2O]+,30.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510833,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,271.14277,[M-H2O]+,60.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510834,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,271.14277,[M-H2O]+,15.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510835,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,271.14277,[M-H2O]+,20.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510836,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,271.14277,[M-H2O]+,60.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510837,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,271.14277,[M-H2O]+,20.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510838,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,290.16115,[M+H]+,20.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510839,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,290.16115,[M+H]+,20.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510840,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,290.16115,[M+H]+,15.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510841,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,290.16115,[M+H]+,60.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510842,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,290.16115,[M+H]+,30.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510843,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,290.16115,[M+H]+,20.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510844,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,290.16115,[M+H]+,60.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510845,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1,290.16115,[M+H]+,20.0,test,COc1ccccc1Cn1cc(CNC(=O)N(C)C)nn1
510846,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1,290.16115,[M+H]+,20.0,test,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1
510847,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1,290.16115,[M+H]+,20.0,test,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1
510848,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1,290.16115,[M+H]+,60.0,test,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1
510849,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1,290.16115,[M+H]+,20.0,test,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1
510850,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1,290.16115,[M+H]+,45.0,test,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1
510851,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1,290.16115,[M+H]+,60.0,test,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1
510852,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1,290.16115,[M+H]+,20.0,test,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1
510853,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1,290.16115,[M+H]+,45.0,test,COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1
510854,Cc1noc(C(C)NC(=O)c2c3CCCCc3nn2C)n1,290.16115,[M+H]+,20.0,test,Cc1noc(C(C)NC(=O)c2c3c(nn2C)CCCC3)n1
510855,Cc1noc(C(C)NC(=O)c2c3CCCCc3nn2C)n1,290.16115,[M+H]+,20.0,test,Cc1noc(C(C)NC(=O)c2c3c(nn2C)CCCC3)n1
510856,Cc1noc(C(C)NC(=O)c2c3CCCCc3nn2C)n1,290.16115,[M+H]+,60.0,test,Cc1noc(C(C)NC(=O)c2c3c(nn2C)CCCC3)n1
510857,Cc1noc(C(C)NC(=O)c2c3CCCCc3nn2C)n1,290.16115,[M+H]+,30.0,test,Cc1noc(C(C)NC(=O)c2c3c(nn2C)CCCC3)n1
510858,Cc1noc(C(C)NC(=O)c2c3CCCCc3nn2C)n1,290.16115,[M+H]+,20.0,test,Cc1noc(C(C)NC(=O)c2c3c(nn2C)CCCC3)n1
510859,Cc1noc(C(C)NC(=O)c2c3CCCCc3nn2C)n1,290.16115,[M+H]+,60.0,test,Cc1noc(C(C)NC(=O)c2c3c(nn2C)CCCC3)n1
510860,Cc1noc(C(C)NC(=O)c2c3CCCCc3nn2C)n1,290.16115,[M+H]+,30.0,test,Cc1noc(C(C)NC(=O)c2c3c(nn2C)CCCC3)n1
510861,Cc1noc(C(C)NC(=O)c2c3CCCCc3nn2C)n1,290.16115,[M+H]+,20.0,test,Cc1noc(C(C)NC(=O)c2c3c(nn2C)CCCC3)n1
510862,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1,290.16115,[M+H]+,20.0,test,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1
510863,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1,290.16115,[M+H]+,20.0,test,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1
510864,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1,290.16115,[M+H]+,60.0,test,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1
510865,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1,290.16115,[M+H]+,20.0,test,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1
510866,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1,290.16115,[M+H]+,45.0,test,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1
510867,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1,290.16115,[M+H]+,60.0,test,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1
510868,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1,290.16115,[M+H]+,20.0,test,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1
510869,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1,290.16115,[M+H]+,45.0,test,COC(=O)C1CCc2nnc(Cn3nc(C)cc3C)n2C1
510870,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,290.16115,[M+H]+,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510871,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,290.16115,[M+H]+,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510872,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,290.16115,[M+H]+,60.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510873,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,290.16115,[M+H]+,30.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510874,CC(C)(O)C(C)(C)NC(=O)c1cnc(-n2cncn2)cc1,290.16115,[M+H]+,20.0,test,CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1
510875,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,290.16115,[M+H]+,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510876,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,290.16115,[M+H]+,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510877,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,290.16115,[M+H]+,60.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510878,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,290.16115,[M+H]+,30.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510879,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,290.16115,[M+H]+,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510880,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,290.16115,[M+H]+,60.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510881,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,290.16115,[M+H]+,30.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510882,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,290.16115,[M+H]+,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510883,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,307.1877,[M+NH4]+,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510884,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,307.1877,[M+NH4]+,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510885,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,307.1877,[M+NH4]+,30.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510886,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,307.1877,[M+NH4]+,60.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510887,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,307.1877,[M+NH4]+,15.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510888,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,307.1877,[M+NH4]+,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510889,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,307.1877,[M+NH4]+,60.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510890,COCCN1CCN(c2c3nc[nH]c(=O)c3ccn2)CC1,307.1877,[M+NH4]+,20.0,test,COCCN1CCN(c2nccc3c(=O)[nH]cnc23)CC1
510891,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,382.13682,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510892,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,382.13682,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510893,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,382.13682,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510894,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,382.13682,[M+FA]-,15.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510895,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,382.13682,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510896,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,338.14589,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510897,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,338.14589,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510898,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,338.14589,[M+H]+,60.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510899,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,338.14589,[M+H]+,30.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510900,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,338.14589,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
510901,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,280.11905,[M-H]-,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510902,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,280.11905,[M-H]-,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510903,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,280.11905,[M-H]-,30.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510904,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,280.11905,[M-H]-,60.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510905,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,280.11905,[M-H]-,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510906,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,280.11905,[M-H]-,45.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510907,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,280.11905,[M-H]-,60.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510908,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,280.11905,[M-H]-,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510909,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1,282.1336,[M+H]+,20.0,test,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1
510910,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1,282.1336,[M+H]+,20.0,test,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1
510911,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1,282.1336,[M+H]+,60.0,test,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1
510912,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1,282.1336,[M+H]+,30.0,test,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1
510913,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1,282.1336,[M+H]+,20.0,test,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1
510914,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1,282.1336,[M+H]+,60.0,test,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1
510915,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1,282.1336,[M+H]+,30.0,test,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1
510916,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1,282.1336,[M+H]+,20.0,test,COc1cc(OC)cc(C(C(=O)O)N2CCOCC2)c1
510917,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,264.12304,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510918,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,264.12304,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510919,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,264.12304,[M+H-H2O]+,60.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510920,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,264.12304,[M+H-H2O]+,30.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510921,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,264.12304,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510922,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,282.1336,[M+H]+,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510923,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,282.1336,[M+H]+,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510924,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,282.1336,[M+H]+,60.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510925,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,282.1336,[M+H]+,15.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510926,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1,282.1336,[M+H]+,20.0,test,Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)o1
510927,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,20.0,test,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O
510928,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,20.0,test,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O
510929,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,60.0,test,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O
510930,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,15.0,test,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O
510931,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,20.0,test,COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O
510932,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,20.0,test,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O
510933,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,20.0,test,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O
510934,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,60.0,test,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O
510935,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,15.0,test,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O
510936,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O,280.11905,[M-H]-,20.0,test,COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O
510937,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1,280.11905,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1
510938,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1,280.11905,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1
510939,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1,280.11905,[M-H]-,60.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1
510940,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1,280.11905,[M-H]-,15.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1
510941,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1,280.11905,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1
510942,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1,316.09572,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(O)c1
510943,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,364.08047,[M+Cl]-,20.0,test,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510944,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,364.08047,[M+Cl]-,20.0,test,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510945,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,364.08047,[M+Cl]-,20.0,test,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510946,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,374.10927,[M+FA]-,20.0,test,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510947,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,374.10927,[M+FA]-,20.0,test,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510948,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,374.10927,[M+FA]-,60.0,test,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510949,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,374.10927,[M+FA]-,15.0,test,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510950,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,374.10927,[M+FA]-,20.0,test,N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
510951,Cc1c(Br)ccc(N2CCN(CC3CC3)CC2)n1,310.09134,[M+H]+,20.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510952,Cc1c(Br)ccc(N2CCN(CC3CC3)CC2)n1,310.09134,[M+H]+,20.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510953,Cc1c(Br)ccc(N2CCN(CC3CC3)CC2)n1,310.09134,[M+H]+,60.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510954,Cc1c(Br)ccc(N2CCN(CC3CC3)CC2)n1,310.09134,[M+H]+,30.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510955,Cc1c(Br)ccc(N2CCN(CC3CC3)CC2)n1,310.09134,[M+H]+,20.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510956,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br,310.09134,[M+H]+,20.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510957,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br,310.09134,[M+H]+,20.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510958,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br,310.09134,[M+H]+,60.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510959,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br,310.09134,[M+H]+,30.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510960,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br,310.09134,[M+H]+,20.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510961,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br,310.09134,[M+H]+,20.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510962,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br,310.09134,[M+H]+,30.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510963,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br,310.09134,[M+H]+,60.0,test,Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br
510964,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1,322.15415,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1
510965,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1,322.15415,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1
510966,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1,322.15415,[M+H]+,60.0,test,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1
510967,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1,322.15415,[M+H]+,30.0,test,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1
510968,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1,322.15415,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1
510969,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1,322.15415,[M+H]+,30.0,test,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1
510970,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1,322.15415,[M+H]+,60.0,test,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1
510971,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1,322.15415,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1
510972,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,316.07797,[M-H]-,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510973,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,316.07797,[M-H]-,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510974,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,316.07797,[M-H]-,60.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510975,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,316.07797,[M-H]-,15.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510976,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,316.07797,[M-H]-,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510977,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,352.05464,[M+Cl]-,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510978,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,362.08344,[M+FA]-,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510979,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,362.08344,[M+FA]-,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510980,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,362.08344,[M+FA]-,60.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510981,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,362.08344,[M+FA]-,15.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510982,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,362.08344,[M+FA]-,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510983,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,318.09252,[M+H]+,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510984,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,318.09252,[M+H]+,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510985,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,318.09252,[M+H]+,60.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510986,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,318.09252,[M+H]+,15.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510987,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1,318.09252,[M+H]+,20.0,test,O=C(NCCCCc1ccc(Cl)s1)C(O)C1(O)CCC1
510988,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl,316.07797,[M-H]-,20.0,test,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl
510989,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl,316.07797,[M-H]-,20.0,test,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl
510990,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl,316.07797,[M-H]-,60.0,test,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl
510991,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl,316.07797,[M-H]-,30.0,test,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl
510992,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl,316.07797,[M-H]-,20.0,test,O=S(=O)(NCC(O)C1CCCCC1)c1ccccc1Cl
510993,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,318.14349,[M-H]-,20.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
510994,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,318.14349,[M-H]-,20.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
510995,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,318.14349,[M-H]-,60.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
510996,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,318.14349,[M-H]-,20.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
510997,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,318.14349,[M-H]-,45.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
510998,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,318.14349,[M-H]-,60.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
510999,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,318.14349,[M-H]-,20.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
511000,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,318.14349,[M-H]-,45.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
511001,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,354.12016,[M+Cl]-,15.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
511002,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,354.12016,[M+Cl]-,15.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
511003,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,354.12016,[M+Cl]-,20.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
511004,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,354.12016,[M+Cl]-,60.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
511005,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1,354.12016,[M+Cl]-,15.0,test,CC1(C)CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1
511006,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,334.1384,[M-H]-,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511007,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,334.1384,[M-H]-,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511008,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,334.1384,[M-H]-,60.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511009,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,334.1384,[M-H]-,30.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511010,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,334.1384,[M-H]-,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511011,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,370.11508,[M+Cl]-,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511012,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,370.11508,[M+Cl]-,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511013,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,370.11508,[M+Cl]-,60.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511014,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,370.11508,[M+Cl]-,15.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511015,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,370.11508,[M+Cl]-,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511016,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,336.15295,[M+H]+,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511017,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,336.15295,[M+H]+,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511018,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,336.15295,[M+H]+,60.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511019,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,336.15295,[M+H]+,30.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511020,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,336.15295,[M+H]+,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511021,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,336.15295,[M+H]+,60.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511022,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,336.15295,[M+H]+,30.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511023,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1,336.15295,[M+H]+,20.0,test,Cc1noc(C(F)(F)F)c1C(=O)NCC(C)(C)N1CCOCC1
511024,CC(C)N1CCC(NC(=O)c2ncc(F)cc2)CC1,266.16632,[M+H]+,20.0,test,CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1
511025,CC(C)N1CCC(NC(=O)c2ncc(F)cc2)CC1,266.16632,[M+H]+,20.0,test,CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1
511026,CC(C)N1CCC(NC(=O)c2ncc(F)cc2)CC1,266.16632,[M+H]+,60.0,test,CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1
511027,CC(C)N1CCC(NC(=O)c2ncc(F)cc2)CC1,266.16632,[M+H]+,20.0,test,CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1
511028,CC(C)N1CCC(NC(=O)c2ncc(F)cc2)CC1,266.16632,[M+H]+,45.0,test,CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1
511029,CC(C)N1CCC(NC(=O)c2ncc(F)cc2)CC1,266.16632,[M+H]+,60.0,test,CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1
511030,CC(C)N1CCC(NC(=O)c2ncc(F)cc2)CC1,266.16632,[M+H]+,20.0,test,CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1
511031,CC(C)N1CCC(NC(=O)c2ncc(F)cc2)CC1,266.16632,[M+H]+,45.0,test,CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1
511032,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,264.15176,[M-H]-,20.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511033,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,264.15176,[M-H]-,20.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511034,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,264.15176,[M-H]-,45.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511035,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,264.15176,[M-H]-,60.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511036,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,266.16632,[M+H]+,20.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511037,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,266.16632,[M+H]+,20.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511038,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,266.16632,[M+H]+,60.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511039,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,266.16632,[M+H]+,15.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511040,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,266.16632,[M+H]+,20.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511041,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,266.16632,[M+H]+,15.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511042,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,266.16632,[M+H]+,20.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511043,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1,266.16632,[M+H]+,60.0,test,NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1
511044,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,311.08934,[M-H]-,20.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511045,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,311.08934,[M-H]-,20.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511046,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,311.08934,[M-H]-,15.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511047,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,311.08934,[M-H]-,60.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511048,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,311.08934,[M-H]-,30.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511049,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,311.08934,[M-H]-,20.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511050,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,311.08934,[M-H]-,20.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511051,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,311.08934,[M-H]-,60.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511052,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,313.1039,[M+H]+,15.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511053,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,313.1039,[M+H]+,15.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511054,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,313.1039,[M+H]+,20.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511055,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,313.1039,[M+H]+,60.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511056,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2,313.1039,[M+H]+,15.0,test,CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2
511057,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,263.14012,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511058,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,263.14012,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511059,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,263.14012,[M-H]-,60.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511060,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,263.14012,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511061,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,263.14012,[M-H]-,45.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511062,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,263.14012,[M-H]-,60.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511063,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,263.14012,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511064,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,263.14012,[M-H]-,45.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511065,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,309.1456,[M+FA]-,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511066,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,309.1456,[M+FA]-,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511067,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,309.1456,[M+FA]-,60.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511068,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,309.1456,[M+FA]-,15.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511069,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,309.1456,[M+FA]-,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511070,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,30.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511071,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,30.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511072,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,20.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511073,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,60.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511074,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,30.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511075,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,20.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511076,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,60.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511077,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,30.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511078,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,247.14411,[M+H-H2O]+,30.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511079,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,247.14411,[M+H-H2O]+,30.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511080,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,247.14411,[M+H-H2O]+,20.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511081,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,247.14411,[M+H-H2O]+,60.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511082,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,247.14411,[M+H-H2O]+,30.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511083,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,265.15467,[M+H]+,20.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511084,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,265.15467,[M+H]+,20.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511085,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,265.15467,[M+H]+,60.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511086,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,265.15467,[M+H]+,30.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511087,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,265.15467,[M+H]+,20.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511088,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,265.15467,[M+H]+,60.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511089,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,265.15467,[M+H]+,30.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511090,COC(=O)c1nc(N(C)CC2CCCC2O)ccc1,265.15467,[M+H]+,20.0,test,COC(=O)c1cccc(N(C)CC2CCCC2O)n1
511091,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,246.13628,[M-H2O]+,20.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511092,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,246.13628,[M-H2O]+,20.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511093,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,246.13628,[M-H2O]+,60.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511094,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,246.13628,[M-H2O]+,15.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511095,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,246.13628,[M-H2O]+,20.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511096,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,265.15467,[M+H]+,20.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511097,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,265.15467,[M+H]+,20.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511098,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,265.15467,[M+H]+,60.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511099,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,265.15467,[M+H]+,30.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511100,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,265.15467,[M+H]+,20.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511101,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,265.15467,[M+H]+,60.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511102,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,265.15467,[M+H]+,30.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511103,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1,265.15467,[M+H]+,20.0,test,Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1
511104,CNC(=O)CC1CCN(C(=O)Cc2cocc2)CC1,265.15467,[M+H]+,20.0,test,CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1
511105,CNC(=O)CC1CCN(C(=O)Cc2cocc2)CC1,265.15467,[M+H]+,20.0,test,CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1
511106,CNC(=O)CC1CCN(C(=O)Cc2cocc2)CC1,265.15467,[M+H]+,60.0,test,CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1
511107,CNC(=O)CC1CCN(C(=O)Cc2cocc2)CC1,265.15467,[M+H]+,30.0,test,CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1
511108,CNC(=O)CC1CCN(C(=O)Cc2cocc2)CC1,265.15467,[M+H]+,20.0,test,CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1
511109,CNC(=O)CC1CCN(C(=O)Cc2cocc2)CC1,265.15467,[M+H]+,60.0,test,CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1
511110,CNC(=O)CC1CCN(C(=O)Cc2cocc2)CC1,265.15467,[M+H]+,30.0,test,CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1
511111,CNC(=O)CC1CCN(C(=O)Cc2cocc2)CC1,265.15467,[M+H]+,20.0,test,CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1
511112,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,30.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511113,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,30.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511114,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,20.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511115,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,60.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511116,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,30.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511117,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,20.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511118,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,60.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511119,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1,265.15467,[M+H]+,30.0,test,COc1cc(C)cc(CNC(=O)N2CCOCC2)c1
511120,CC(C)C1CN(C(=O)c2c(O)cccn2)CCCO1,265.15467,[M+H]+,20.0,test,CC(C)C1CN(C(=O)c2ncccc2O)CCCO1
511121,CC(C)C1CN(C(=O)c2c(O)cccn2)CCCO1,265.15467,[M+H]+,20.0,test,CC(C)C1CN(C(=O)c2ncccc2O)CCCO1
511122,CC(C)C1CN(C(=O)c2c(O)cccn2)CCCO1,265.15467,[M+H]+,30.0,test,CC(C)C1CN(C(=O)c2ncccc2O)CCCO1
511123,CC(C)C1CN(C(=O)c2c(O)cccn2)CCCO1,265.15467,[M+H]+,60.0,test,CC(C)C1CN(C(=O)c2ncccc2O)CCCO1
511124,CC(C)C1CN(C(=O)c2c(O)cccn2)CCCO1,265.15467,[M+H]+,20.0,test,CC(C)C1CN(C(=O)c2ncccc2O)CCCO1
511125,CC(C)C1CN(C(=O)c2c(O)cccn2)CCCO1,265.15467,[M+H]+,45.0,test,CC(C)C1CN(C(=O)c2ncccc2O)CCCO1
511126,CC(C)C1CN(C(=O)c2c(O)cccn2)CCCO1,265.15467,[M+H]+,60.0,test,CC(C)C1CN(C(=O)c2ncccc2O)CCCO1
511127,CC(C)C1CN(C(=O)c2c(O)cccn2)CCCO1,265.15467,[M+H]+,20.0,test,CC(C)C1CN(C(=O)c2ncccc2O)CCCO1
511128,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,265.15467,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511129,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,265.15467,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511130,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,265.15467,[M+H]+,30.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511131,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,265.15467,[M+H]+,60.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511132,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,265.15467,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511133,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,265.15467,[M+H]+,45.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511134,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,265.15467,[M+H]+,60.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511135,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1,265.15467,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NC2(C)CCOC2)cc(=O)[nH]1
511136,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511137,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511138,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511139,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,30.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511140,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511141,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511142,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,30.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511143,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511144,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511145,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511146,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,15.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511147,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511148,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511149,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,263.14012,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511150,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,263.14012,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511151,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,263.14012,[M-H]-,60.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511152,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,263.14012,[M-H]-,30.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511153,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,263.14012,[M-H]-,20.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511154,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511155,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511156,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511157,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,15.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511158,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511159,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511160,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,15.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511161,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511162,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,265.15467,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511163,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,265.15467,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511164,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,265.15467,[M+H]+,60.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511165,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,265.15467,[M+H]+,30.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511166,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,265.15467,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
511167,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511168,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511169,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511170,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,30.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511171,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511172,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511173,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,30.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511174,O=C(CCCCCCC(=O)Nc1ccccc1)NO,263.14012,[M-H]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511175,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,15.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511176,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,15.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511177,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511178,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511179,O=C(CCCCCCC(=O)Nc1ccccc1)NO,299.11679,[M+Cl]-,15.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511180,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511181,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511182,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511183,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,15.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511184,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511185,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,60.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511186,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,15.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511187,O=C(CCCCCCC(=O)Nc1ccccc1)NO,265.15467,[M+H]+,20.0,test,O=C(CCCCCCC(=O)Nc1ccccc1)NO
511188,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O,265.15467,[M+H]+,20.0,test,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O
511189,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O,265.15467,[M+H]+,20.0,test,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O
511190,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O,265.15467,[M+H]+,60.0,test,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O
511191,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O,265.15467,[M+H]+,15.0,test,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O
511192,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O,265.15467,[M+H]+,20.0,test,CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O
511193,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1,265.15467,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1
511194,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1,265.15467,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1
511195,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1,265.15467,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1
511196,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1,265.15467,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1
511197,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1,265.15467,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1
511198,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1,265.15467,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1
511199,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1,265.15467,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1
511200,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1,265.15467,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1
511201,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,263.14012,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511202,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,263.14012,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511203,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,263.14012,[M-H]-,60.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511204,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,263.14012,[M-H]-,30.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511205,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,263.14012,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511206,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,263.14012,[M-H]-,30.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511207,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,263.14012,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511208,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,263.14012,[M-H]-,60.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511209,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,264.14739,[M]+,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511210,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,264.14739,[M]+,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511211,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,264.14739,[M]+,60.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511212,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,264.14739,[M]+,15.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511213,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,264.14739,[M]+,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511214,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,265.15467,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511215,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,265.15467,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511216,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,265.15467,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511217,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,265.15467,[M+H]+,30.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511218,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,265.15467,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511219,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,265.15467,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511220,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,265.15467,[M+H]+,30.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511221,COc1cc(/C=C/C(=O)NCCCCN)ccc1O,265.15467,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)NCCCCN)ccc1O
511222,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511223,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511224,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,45.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511225,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,60.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511226,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511227,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,45.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511228,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,60.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511229,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511230,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511231,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511232,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,45.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511233,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,60.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511234,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511235,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,45.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511236,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,60.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511237,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,303.13974,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511238,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1,305.15429,[M+H]+,20.0,test,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
511239,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1,305.15429,[M+H]+,20.0,test,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
511240,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1,305.15429,[M+H]+,45.0,test,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
511241,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1,305.15429,[M+H]+,60.0,test,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
511242,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1,305.15429,[M+H]+,20.0,test,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
511243,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1,305.15429,[M+H]+,45.0,test,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
511244,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1,305.15429,[M+H]+,20.0,test,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
511245,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1,305.15429,[M+H]+,60.0,test,CCNc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
511246,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1,305.15429,[M+H]+,20.0,test,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1
511247,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1,305.15429,[M+H]+,20.0,test,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1
511248,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1,305.15429,[M+H]+,45.0,test,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1
511249,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1,305.15429,[M+H]+,60.0,test,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1
511250,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1,305.15429,[M+H]+,20.0,test,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1
511251,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1,305.15429,[M+H]+,60.0,test,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1
511252,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1,305.15429,[M+H]+,45.0,test,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1
511253,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1,305.15429,[M+H]+,20.0,test,CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1
511254,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511255,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511256,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,60.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511257,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511258,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511259,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,60.0,test,CC(C)Cc1cc(-c2nn3c(CC(C)C)nnc3s2)n[nH]1
511260,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511261,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511262,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,60.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511263,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511264,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1,305.15429,[M+H]+,60.0,test,CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)n[nH]1
511265,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,329.12419,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
511266,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,329.12419,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
511267,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,329.12419,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
511268,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,329.12419,[M+FA]-,15.0,test,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
511269,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,329.12419,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
511270,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,340.13365,[M+FA]-,20.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511271,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,340.13365,[M+FA]-,20.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511272,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,340.13365,[M+FA]-,60.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511273,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,340.13365,[M+FA]-,15.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511274,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,340.13365,[M+FA]-,20.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511275,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,296.14272,[M+H]+,20.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511276,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,296.14272,[M+H]+,20.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511277,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,296.14272,[M+H]+,30.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511278,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,296.14272,[M+H]+,60.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511279,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,296.14272,[M+H]+,15.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511280,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,296.14272,[M+H]+,20.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511281,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,296.14272,[M+H]+,60.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511282,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1,296.14272,[M+H]+,20.0,test,CCCNC(=O)C1CCCN(C(=O)c2csnc2C)C1
511283,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1,296.14272,[M+H]+,20.0,test,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1
511284,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1,296.14272,[M+H]+,20.0,test,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1
511285,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1,296.14272,[M+H]+,30.0,test,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1
511286,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1,296.14272,[M+H]+,60.0,test,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1
511287,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1,296.14272,[M+H]+,15.0,test,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1
511288,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1,296.14272,[M+H]+,20.0,test,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1
511289,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1,296.14272,[M+H]+,60.0,test,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1
511290,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1,296.14272,[M+H]+,20.0,test,CC(CNC(=O)N1CCC2(CCO2)CC1)c1nccs1
511291,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1,296.14272,[M+H]+,20.0,test,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1
511292,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1,296.14272,[M+H]+,20.0,test,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1
511293,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1,296.14272,[M+H]+,60.0,test,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1
511294,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1,296.14272,[M+H]+,30.0,test,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1
511295,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1,296.14272,[M+H]+,20.0,test,O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1
511296,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1,296.14272,[M+H]+,20.0,test,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1
511297,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1,296.14272,[M+H]+,20.0,test,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1
511298,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1,296.14272,[M+H]+,60.0,test,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1
511299,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1,296.14272,[M+H]+,30.0,test,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1
511300,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1,296.14272,[M+H]+,20.0,test,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1
511301,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1,296.14272,[M+H]+,60.0,test,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1
511302,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1,296.14272,[M+H]+,30.0,test,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1
511303,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1,296.14272,[M+H]+,20.0,test,CC(C)c1ncc(C(=O)N[C@@H](C)C(=O)N2CCCC2)s1
511304,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C,296.14272,[M+H]+,20.0,test,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C
511305,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C,296.14272,[M+H]+,20.0,test,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C
511306,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C,296.14272,[M+H]+,30.0,test,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C
511307,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C,296.14272,[M+H]+,60.0,test,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C
511308,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C,296.14272,[M+H]+,15.0,test,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C
511309,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C,296.14272,[M+H]+,20.0,test,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C
511310,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C,296.14272,[M+H]+,60.0,test,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C
511311,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C,296.14272,[M+H]+,20.0,test,Cc1nn(C)c(=O)c(C(=O)N2CC(C)SC(C)C2)c1C
511312,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,20.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511313,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,20.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511314,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,60.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511315,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,30.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511316,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,20.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511317,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,60.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511318,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,30.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511319,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,20.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511320,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,20.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511321,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,20.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511322,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,60.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511323,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,30.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511324,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,20.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511325,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,60.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511326,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,30.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511327,CNS(=O)(=O)Cc1cc2c(cc1)[nH]cc2CCN(C)C,296.14272,[M+H]+,20.0,test,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
511328,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511329,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511330,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,60.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511331,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,30.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511332,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511333,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511334,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511335,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,15.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511336,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,60.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511337,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,30.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511338,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511339,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,60.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511340,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511341,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,326.10024,[M-H]-,20.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511342,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,326.10024,[M-H]-,20.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511343,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,326.10024,[M-H]-,60.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511344,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,326.10024,[M-H]-,30.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511345,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,326.10024,[M-H]-,20.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511346,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,326.10024,[M-H]-,30.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511347,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,326.10024,[M-H]-,20.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511348,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,326.10024,[M-H]-,60.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511349,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511350,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,45.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511351,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,60.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511352,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511353,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511354,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511355,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,60.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511356,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,30.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511357,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,326.10024,[M-H]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511358,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,362.07692,[M+Cl]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511359,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,362.07692,[M+Cl]-,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511360,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,362.07692,[M+Cl]-,30.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511361,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1,328.1148,[M+H]+,20.0,test,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1
511362,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1,328.1148,[M+H]+,20.0,test,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1
511363,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1,328.1148,[M+H]+,60.0,test,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1
511364,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1,328.1148,[M+H]+,20.0,test,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1
511365,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1,328.1148,[M+H]+,60.0,test,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1
511366,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1,328.1148,[M+H]+,20.0,test,Cc1cn2c(S(=O)(=O)N3CCCCC3)c(C(C)C)nc2s1
511367,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,328.1148,[M+H]+,20.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511368,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,328.1148,[M+H]+,20.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511369,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,328.1148,[M+H]+,60.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511370,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,328.1148,[M+H]+,15.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511371,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C,328.1148,[M+H]+,20.0,test,CCc1c(C(=O)NNC(=S)NCC2CCCO2)csc1C
511372,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511373,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511374,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,60.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511375,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,15.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511376,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,328.1148,[M+H]+,20.0,test,CC(C)c1cc(C(=O)NNC(=S)NCC2CCCO2)cs1
511377,CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1,267.17032,[M+H]+,20.0,test,CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1
511378,CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1,267.17032,[M+H]+,20.0,test,CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1
511379,CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1,267.17032,[M+H]+,60.0,test,CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1
511380,CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1,267.17032,[M+H]+,30.0,test,CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1
511381,CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1,267.17032,[M+H]+,20.0,test,CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1
511382,CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1,267.17032,[M+H]+,60.0,test,CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1
511383,CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1,267.17032,[M+H]+,30.0,test,CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1
511384,CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1,267.17032,[M+H]+,20.0,test,CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1
511385,Cc1c(C(=O)NCCN2CCOC(C)(C)C2)cco1,267.17032,[M+H]+,20.0,test,Cc1occc1C(=O)NCCN1CCOC(C)(C)C1
511386,Cc1c(C(=O)NCCN2CCOC(C)(C)C2)cco1,267.17032,[M+H]+,20.0,test,Cc1occc1C(=O)NCCN1CCOC(C)(C)C1
511387,Cc1c(C(=O)NCCN2CCOC(C)(C)C2)cco1,267.17032,[M+H]+,60.0,test,Cc1occc1C(=O)NCCN1CCOC(C)(C)C1
511388,Cc1c(C(=O)NCCN2CCOC(C)(C)C2)cco1,267.17032,[M+H]+,30.0,test,Cc1occc1C(=O)NCCN1CCOC(C)(C)C1
511389,Cc1c(C(=O)NCCN2CCOC(C)(C)C2)cco1,267.17032,[M+H]+,20.0,test,Cc1occc1C(=O)NCCN1CCOC(C)(C)C1
511390,Cc1c(C(=O)NCCN2CCOC(C)(C)C2)cco1,267.17032,[M+H]+,60.0,test,Cc1occc1C(=O)NCCN1CCOC(C)(C)C1
511391,Cc1c(C(=O)NCCN2CCOC(C)(C)C2)cco1,267.17032,[M+H]+,30.0,test,Cc1occc1C(=O)NCCN1CCOC(C)(C)C1
511392,Cc1c(C(=O)NCCN2CCOC(C)(C)C2)cco1,267.17032,[M+H]+,20.0,test,Cc1occc1C(=O)NCCN1CCOC(C)(C)C1
511393,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1,267.17032,[M+H]+,20.0,test,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1
511394,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1,267.17032,[M+H]+,20.0,test,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1
511395,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1,267.17032,[M+H]+,60.0,test,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1
511396,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1,267.17032,[M+H]+,30.0,test,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1
511397,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1,267.17032,[M+H]+,20.0,test,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1
511398,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1,267.17032,[M+H]+,60.0,test,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1
511399,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1,267.17032,[M+H]+,30.0,test,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1
511400,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1,267.17032,[M+H]+,20.0,test,CC1CC(C)C(C(=O)N2CCC3(CNC(=O)C3)C2)O1
511401,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,265.15577,[M-H]-,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511402,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,265.15577,[M-H]-,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511403,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,265.15577,[M-H]-,60.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511404,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,265.15577,[M-H]-,30.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511405,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,265.15577,[M-H]-,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511406,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,301.13244,[M+Cl]-,15.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511407,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,301.13244,[M+Cl]-,15.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511408,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,301.13244,[M+Cl]-,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511409,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,301.13244,[M+Cl]-,15.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511410,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,267.17032,[M+H]+,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511411,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,267.17032,[M+H]+,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511412,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,267.17032,[M+H]+,60.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511413,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,267.17032,[M+H]+,30.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511414,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,267.17032,[M+H]+,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511415,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,267.17032,[M+H]+,60.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511416,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,267.17032,[M+H]+,30.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511417,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,267.17032,[M+H]+,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511418,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,289.15226,[M+Na]+,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511419,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,289.15226,[M+Na]+,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511420,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,289.15226,[M+Na]+,30.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511421,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1,289.15226,[M+Na]+,20.0,test,O=C(O)C1C2CCC(C2)N1C(=O)NC1CCCCC1
511422,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,267.17032,[M+H]+,20.0,test,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
511423,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,267.17032,[M+H]+,20.0,test,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
511424,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,267.17032,[M+H]+,60.0,test,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
511425,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,267.17032,[M+H]+,30.0,test,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
511426,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,267.17032,[M+H]+,20.0,test,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
511427,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511428,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511429,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,60.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511430,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,30.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511431,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511432,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,60.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511433,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,30.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511434,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511435,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511436,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511437,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,60.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511438,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,30.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511439,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511440,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,60.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511441,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,30.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511442,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511443,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511444,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511445,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,60.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511446,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,15.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511447,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511448,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,60.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511449,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,15.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511450,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511451,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511452,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511453,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,60.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511454,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,15.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511455,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511456,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,60.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511457,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,15.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511458,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511459,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511460,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511461,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,60.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511462,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,15.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511463,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511464,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,60.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511465,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,15.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511466,COc1c(OC)c(OC)c(CN2CCNCC2)cc1,267.17032,[M+H]+,20.0,test,COc1ccc(CN2CCNCC2)c(OC)c1OC
511467,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511468,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511469,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,30.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511470,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,60.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511471,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,15.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511472,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511473,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,60.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511474,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
511475,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511476,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511477,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,60.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511478,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,30.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511479,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511480,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,60.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511481,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,30.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511482,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,267.17032,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
511483,CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2,301.13244,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2
511484,CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2,301.13244,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2
511485,CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2,301.13244,[M+Cl]-,15.0,test,CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2
511486,CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2,301.13244,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2
511487,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C,267.17032,[M+H]+,15.0,test,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C
511488,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C,267.17032,[M+H]+,15.0,test,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C
511489,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C,267.17032,[M+H]+,20.0,test,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C
511490,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C,267.17032,[M+H]+,60.0,test,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C
511491,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C,267.17032,[M+H]+,15.0,test,COc1ccccc1[C@H](CN)NC(=O)OC(C)(C)C
511492,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,251.15765,[M+H]+,20.0,test,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1
511493,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,251.15765,[M+H]+,20.0,test,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1
511494,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,251.15765,[M+H]+,60.0,test,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1
511495,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,251.15765,[M+H]+,20.0,test,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1
511496,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,251.15765,[M+H]+,45.0,test,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1
511497,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,251.15765,[M+H]+,60.0,test,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1
511498,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,251.15765,[M+H]+,20.0,test,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1
511499,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,251.15765,[M+H]+,45.0,test,CSC1=NC2(CCCCC2)C2=C(CCCC2)N1
511500,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,20.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511501,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,20.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511502,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,60.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511503,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,20.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511504,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,45.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511505,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,60.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511506,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,20.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511507,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,45.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511508,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511509,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511510,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,60.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511511,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,30.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511512,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511513,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,60.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511514,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,30.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511515,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511516,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,325.11513,[M+H-H2O]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511517,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,325.11513,[M+H-H2O]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511518,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,325.11513,[M+H-H2O]+,60.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511519,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,325.11513,[M+H-H2O]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511520,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,325.11513,[M+H-H2O]+,60.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511521,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,325.11513,[M+H-H2O]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511522,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511523,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511524,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,60.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511525,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,30.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511526,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511527,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,30.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511528,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,60.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511529,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1,343.12569,[M+H]+,20.0,test,CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1
511530,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,20.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511531,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,20.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511532,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,45.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511533,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,60.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511534,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,20.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511535,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,45.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511536,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,60.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511537,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12,343.12569,[M+H]+,20.0,test,CCN(CC)CCNS(=O)(=O)c1c(C)c(C)cc2nsnc12
511538,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,389.1314,[M-H]-,20.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511539,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,389.1314,[M-H]-,20.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511540,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,389.1314,[M-H]-,60.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511541,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,389.1314,[M-H]-,15.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511542,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,389.1314,[M-H]-,20.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511543,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,391.14595,[M+H]+,20.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511544,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,391.14595,[M+H]+,20.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511545,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,391.14595,[M+H]+,60.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511546,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,391.14595,[M+H]+,15.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511547,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O,391.14595,[M+H]+,20.0,test,C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
511548,C=C1C(=O)OC(CCCCCCCC)C1C(=O)O,253.14453,[M-H]-,20.0,test,C=C1C(=O)OC(CCCCCCCC)C1C(=O)O
511549,C=C1C(=O)OC(CCCCCCCC)C1C(=O)O,253.14453,[M-H]-,20.0,test,C=C1C(=O)OC(CCCCCCCC)C1C(=O)O
511550,C=C1C(=O)OC(CCCCCCCC)C1C(=O)O,253.14453,[M-H]-,15.0,test,C=C1C(=O)OC(CCCCCCCC)C1C(=O)O
511551,C=C1C(=O)OC(CCCCCCCC)C1C(=O)O,253.14453,[M-H]-,20.0,test,C=C1C(=O)OC(CCCCCCCC)C1C(=O)O
511552,C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O,253.14453,[M-H]-,20.0,test,C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O
511553,C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O,253.14453,[M-H]-,20.0,test,C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O
511554,C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O,253.14453,[M-H]-,15.0,test,C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O
511555,C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O,253.14453,[M-H]-,20.0,test,C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O
511556,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O,253.14453,[M-H]-,20.0,test,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O
511557,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O,253.14453,[M-H]-,20.0,test,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O
511558,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O,253.14453,[M-H]-,60.0,test,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O
511559,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O,253.14453,[M-H]-,30.0,test,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O
511560,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O,253.14453,[M-H]-,20.0,test,CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)O
511561,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,297.14876,[M-H]-,20.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511562,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,297.14876,[M-H]-,20.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511563,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,297.14876,[M-H]-,60.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511564,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,297.14876,[M-H]-,20.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511565,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,297.14876,[M-H]-,45.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511566,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,299.16332,[M+H]+,20.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511567,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,299.16332,[M+H]+,20.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511568,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,299.16332,[M+H]+,60.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511569,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,299.16332,[M+H]+,30.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511570,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C,299.16332,[M+H]+,20.0,test,CN1CCN(CCNC(=O)c2cc(Cl)c[nH]2)CC1(C)C
511571,CCCCCCNC(N)=NCc1ccccc1,234.19647,[M+H]+,20.0,test,CCCCCCNC(N)=NCc1ccccc1
511572,CCCCCCNC(N)=NCc1ccccc1,234.19647,[M+H]+,20.0,test,CCCCCCNC(N)=NCc1ccccc1
511573,CCCCCCNC(N)=NCc1ccccc1,234.19647,[M+H]+,60.0,test,CCCCCCNC(N)=NCc1ccccc1
511574,CCCCCCNC(N)=NCc1ccccc1,234.19647,[M+H]+,20.0,test,CCCCCCNC(N)=NCc1ccccc1
511575,CCCCCCNC(N)=NCc1ccccc1,234.19647,[M+H]+,45.0,test,CCCCCCNC(N)=NCc1ccccc1
511576,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1,330.13045,[M+H]+,20.0,test,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1
511577,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1,330.13045,[M+H]+,20.0,test,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1
511578,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1,330.13045,[M+H]+,60.0,test,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1
511579,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1,330.13045,[M+H]+,15.0,test,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1
511580,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1,330.13045,[M+H]+,20.0,test,Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1
511581,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,356.1398,[M-H]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511582,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,356.1398,[M-H]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511583,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,356.1398,[M-H]-,60.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511584,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,356.1398,[M-H]-,30.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511585,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,356.1398,[M-H]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511586,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,356.1398,[M-H]-,60.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511587,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,356.1398,[M-H]-,30.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511588,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,356.1398,[M-H]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511589,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,392.11648,[M+Cl]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511590,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,392.11648,[M+Cl]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511591,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,392.11648,[M+Cl]-,60.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511592,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,392.11648,[M+Cl]-,15.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511593,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,392.11648,[M+Cl]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511594,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,402.14528,[M+FA]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511595,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,402.14528,[M+FA]-,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511596,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,402.14528,[M+FA]-,60.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511597,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,402.14528,[M+FA]-,30.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511598,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,358.15435,[M+H]+,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511599,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,358.15435,[M+H]+,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511600,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,358.15435,[M+H]+,60.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511601,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,358.15435,[M+H]+,30.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511602,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O,358.15435,[M+H]+,20.0,test,Cn1c(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)cc(=O)n(C)c1=O
511603,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,252.16052,[M-H]-,20.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511604,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,252.16052,[M-H]-,20.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511605,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,252.16052,[M-H]-,60.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511606,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,252.16052,[M-H]-,30.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511607,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,252.16052,[M-H]-,20.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511608,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,254.17507,[M+H]+,20.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511609,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,254.17507,[M+H]+,20.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511610,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,254.17507,[M+H]+,60.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511611,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,254.17507,[M+H]+,15.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511612,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2,254.17507,[M+H]+,20.0,test,CCC(C(=O)O)N(C)C(=O)CC1CC2CCC1C2
511613,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1,254.17507,[M+H]+,20.0,test,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1
511614,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1,254.17507,[M+H]+,20.0,test,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1
511615,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1,254.17507,[M+H]+,60.0,test,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1
511616,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1,254.17507,[M+H]+,20.0,test,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1
511617,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1,254.17507,[M+H]+,45.0,test,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1
511618,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1,254.17507,[M+H]+,60.0,test,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1
511619,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1,254.17507,[M+H]+,20.0,test,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1
511620,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1,254.17507,[M+H]+,45.0,test,CC1CC(C)N(C(=O)C2CCC(C(=O)O)CC2)C1
511621,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,252.16052,[M-H]-,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511622,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,252.16052,[M-H]-,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511623,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,252.16052,[M-H]-,60.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511624,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,252.16052,[M-H]-,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511625,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,252.16052,[M-H]-,45.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511626,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,252.16052,[M-H]-,60.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511627,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,252.16052,[M-H]-,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511628,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,252.16052,[M-H]-,45.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511629,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,288.13719,[M+Cl]-,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511630,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,288.13719,[M+Cl]-,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511631,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,288.13719,[M+Cl]-,60.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511632,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,288.13719,[M+Cl]-,15.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511633,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,288.13719,[M+Cl]-,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511634,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,252.16052,[M-H]-,20.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511635,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,252.16052,[M-H]-,20.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511636,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,252.16052,[M-H]-,60.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511637,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,252.16052,[M-H]-,20.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511638,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,252.16052,[M-H]-,45.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511639,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,252.16052,[M-H]-,60.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511640,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,252.16052,[M-H]-,20.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511641,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,252.16052,[M-H]-,45.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511642,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,254.17507,[M+H]+,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511643,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,254.17507,[M+H]+,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511644,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,254.17507,[M+H]+,60.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511645,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,254.17507,[M+H]+,30.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511646,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,254.17507,[M+H]+,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511647,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,254.17507,[M+H]+,60.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511648,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,254.17507,[M+H]+,30.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511649,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,254.17507,[M+H]+,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511650,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,276.15701,[M+Na]+,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511651,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,276.15701,[M+Na]+,30.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511652,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1,276.15701,[M+Na]+,20.0,test,O=C(O)C1CCC(NC(=O)C2CCCCCC2)C1
511653,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,254.17507,[M+H]+,20.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511654,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,254.17507,[M+H]+,20.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511655,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,254.17507,[M+H]+,60.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511656,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,254.17507,[M+H]+,30.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511657,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,254.17507,[M+H]+,20.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511658,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,254.17507,[M+H]+,60.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511659,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,254.17507,[M+H]+,30.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511660,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C,254.17507,[M+H]+,20.0,test,CC1(C)C(C(=O)N2CCC(C(=O)O)CC2)C1(C)C
511661,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O,339.17863,[M-H]-,20.0,test,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O
511662,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O,339.17863,[M-H]-,20.0,test,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O
511663,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O,339.17863,[M-H]-,60.0,test,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O
511664,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O,339.17863,[M-H]-,30.0,test,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O
511665,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O,339.17863,[M-H]-,20.0,test,NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O
511666,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,342.16053,[M-H]-,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511667,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,342.16053,[M-H]-,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511668,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,342.16053,[M-H]-,60.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511669,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,342.16053,[M-H]-,15.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511670,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,342.16053,[M-H]-,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511671,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,388.16601,[M+FA]-,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511672,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,388.16601,[M+FA]-,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511673,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,388.16601,[M+FA]-,60.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511674,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,388.16601,[M+FA]-,15.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511675,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,388.16601,[M+FA]-,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511676,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,342.16053,[M-H]-,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511677,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,342.16053,[M-H]-,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511678,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,342.16053,[M-H]-,60.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511679,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,342.16053,[M-H]-,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511680,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,342.16053,[M-H]-,45.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511681,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,342.16053,[M-H]-,60.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511682,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,342.16053,[M-H]-,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511683,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,342.16053,[M-H]-,45.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511684,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,378.13721,[M+Cl]-,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511685,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,378.13721,[M+Cl]-,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511686,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,378.13721,[M+Cl]-,60.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511687,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,378.13721,[M+Cl]-,15.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511688,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,378.13721,[M+Cl]-,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511689,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,342.16053,[M-H]-,30.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511690,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,342.16053,[M-H]-,30.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511691,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,342.16053,[M-H]-,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511692,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,342.16053,[M-H]-,60.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511693,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,342.16053,[M-H]-,30.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511694,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,378.13721,[M+Cl]-,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511695,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,378.13721,[M+Cl]-,15.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511696,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,378.13721,[M+Cl]-,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511697,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,378.13721,[M+Cl]-,15.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511698,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,388.16601,[M+FA]-,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511699,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,388.16601,[M+FA]-,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511700,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,388.16601,[M+FA]-,60.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511701,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,388.16601,[M+FA]-,15.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511702,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,388.16601,[M+FA]-,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511703,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,388.16601,[M+FA]-,60.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511704,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,388.16601,[M+FA]-,15.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511705,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,388.16601,[M+FA]-,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511706,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,378.13721,[M+Cl]-,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511707,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,378.13721,[M+Cl]-,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511708,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,378.13721,[M+Cl]-,60.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511709,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,378.13721,[M+Cl]-,15.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511710,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,378.13721,[M+Cl]-,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511711,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,388.16601,[M+FA]-,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511712,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,388.16601,[M+FA]-,60.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511713,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,388.16601,[M+FA]-,15.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511714,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,388.16601,[M+FA]-,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511715,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,388.16601,[M+FA]-,60.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511716,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,388.16601,[M+FA]-,15.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511717,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,388.16601,[M+FA]-,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511718,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,344.17509,[M+H]+,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511719,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,344.17509,[M+H]+,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511720,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,344.17509,[M+H]+,60.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511721,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,344.17509,[M+H]+,30.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511722,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,344.17509,[M+H]+,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511723,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,344.17509,[M+H]+,60.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511724,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,344.17509,[M+H]+,30.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511725,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1,344.17509,[M+H]+,20.0,test,Cn1nncc1S(=O)(=O)N1CCCC(CNC(=O)C(C)(C)C)C1
511726,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,344.17509,[M+H]+,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511727,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,344.17509,[M+H]+,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511728,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,344.17509,[M+H]+,30.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511729,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,344.17509,[M+H]+,60.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511730,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,344.17509,[M+H]+,15.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511731,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,344.17509,[M+H]+,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511732,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,344.17509,[M+H]+,60.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511733,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,344.17509,[M+H]+,20.0,test,CN1CCN(S(=O)(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
511734,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,344.17509,[M+H]+,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511735,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,344.17509,[M+H]+,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511736,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,344.17509,[M+H]+,60.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511737,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,344.17509,[M+H]+,30.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511738,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,344.17509,[M+H]+,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511739,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,344.17509,[M+H]+,60.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511740,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,344.17509,[M+H]+,30.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511741,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C,344.17509,[M+H]+,20.0,test,CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
511742,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,344.17509,[M+H]+,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511743,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,344.17509,[M+H]+,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511744,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,344.17509,[M+H]+,30.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511745,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,344.17509,[M+H]+,60.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511746,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,344.17509,[M+H]+,15.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511747,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,344.17509,[M+H]+,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511748,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,344.17509,[M+H]+,60.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511749,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C,344.17509,[M+H]+,20.0,test,Cc1c(C(C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1C
511750,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,272.18563,[M+H]+,20.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511751,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,272.18563,[M+H]+,20.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511752,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,272.18563,[M+H]+,30.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511753,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,272.18563,[M+H]+,60.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511754,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,272.18563,[M+H]+,15.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511755,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,272.18563,[M+H]+,20.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511756,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,272.18563,[M+H]+,60.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511757,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,272.18563,[M+H]+,20.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511758,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,294.16758,[M+Na]+,20.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511759,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,294.16758,[M+Na]+,20.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511760,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,294.16758,[M+Na]+,60.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511761,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,294.16758,[M+Na]+,30.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511762,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1,294.16758,[M+Na]+,20.0,test,CCOC(=O)C1CCN(C(=O)COC(C)CC)CC1
511763,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,270.17108,[M-H]-,30.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511764,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,270.17108,[M-H]-,30.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511765,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,270.17108,[M-H]-,20.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511766,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,270.17108,[M-H]-,60.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511767,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,270.17108,[M-H]-,30.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511768,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,254.17507,[M+H-H2O]+,20.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511769,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,254.17507,[M+H-H2O]+,20.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511770,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,254.17507,[M+H-H2O]+,60.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511771,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,254.17507,[M+H-H2O]+,30.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511772,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,254.17507,[M+H-H2O]+,20.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511773,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,272.18563,[M+H]+,20.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511774,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,272.18563,[M+H]+,20.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511775,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,272.18563,[M+H]+,60.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511776,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,272.18563,[M+H]+,15.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511777,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O,272.18563,[M+H]+,20.0,test,CCCCCCCC(=O)C(C)NC(=O)CCC(=O)O
511778,CC(C)(C)OC(=O)NCC1(CC(=O)O)CCCCC1,272.18563,[M+H]+,20.0,test,CC(C)(C)OC(=O)NCC1(CC(=O)O)CCCCC1
511779,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1,270.17108,[M-H]-,20.0,test,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1
511780,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1,270.17108,[M-H]-,20.0,test,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1
511781,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1,270.17108,[M-H]-,45.0,test,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1
511782,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1,270.17108,[M-H]-,60.0,test,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1
511783,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1,270.17108,[M-H]-,20.0,test,C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1
511784,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
511785,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
511786,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O,270.17108,[M-H]-,30.0,test,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
511787,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O,270.17108,[M-H]-,60.0,test,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
511788,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O,270.17108,[M-H]-,15.0,test,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
511789,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
511790,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
511791,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O,270.17108,[M-H]-,60.0,test,CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
511792,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1
511793,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1
511794,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1,270.17108,[M-H]-,60.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1
511795,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1,270.17108,[M-H]-,15.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1
511796,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1
511797,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O
511798,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O
511799,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O,270.17108,[M-H]-,60.0,test,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O
511800,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O,270.17108,[M-H]-,15.0,test,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O
511801,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O
511802,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O,270.17108,[M-H]-,15.0,test,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O
511803,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O,270.17108,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O
511804,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O,270.17108,[M-H]-,60.0,test,CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O
511805,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C,294.16758,[M+Na]+,20.0,test,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
511806,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C,294.16758,[M+Na]+,20.0,test,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
511807,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C,294.16758,[M+Na]+,30.0,test,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
511808,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C,294.16758,[M+Na]+,20.0,test,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
511809,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C,294.16758,[M+Na]+,20.0,test,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
511810,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C,294.16758,[M+Na]+,30.0,test,CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
511811,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,337.13581,[M+Cl]-,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511812,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,337.13581,[M+Cl]-,15.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511813,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,337.13581,[M+Cl]-,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511814,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,347.16462,[M+FA]-,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511815,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,347.16462,[M+FA]-,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511816,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,347.16462,[M+FA]-,60.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511817,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,347.16462,[M+FA]-,15.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511818,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,347.16462,[M+FA]-,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511819,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,301.15914,[M-H]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511820,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,301.15914,[M-H]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511821,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,301.15914,[M-H]-,60.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511822,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,301.15914,[M-H]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511823,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,301.15914,[M-H]-,45.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511824,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,303.17369,[M+H]+,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511825,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,303.17369,[M+H]+,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511826,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,303.17369,[M+H]+,60.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511827,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,303.17369,[M+H]+,30.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511828,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,303.17369,[M+H]+,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511829,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,303.17369,[M+H]+,60.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511830,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,303.17369,[M+H]+,30.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511831,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1,303.17369,[M+H]+,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)N1CCC2(CCCC2)CC1
511832,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,303.17369,[M+H]+,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511833,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,303.17369,[M+H]+,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511834,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,303.17369,[M+H]+,60.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511835,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,303.17369,[M+H]+,30.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511836,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,303.17369,[M+H]+,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511837,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,303.17369,[M+H]+,60.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511838,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,303.17369,[M+H]+,30.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511839,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,303.17369,[M+H]+,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511840,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,325.15563,[M+Na]+,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511841,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,325.15563,[M+Na]+,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511842,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,325.15563,[M+Na]+,60.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511843,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,325.15563,[M+Na]+,20.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511844,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C,325.15563,[M+Na]+,45.0,test,CC1(C)C(C(=O)NCC2CCN(S(C)(=O)=O)C2)C1(C)C
511845,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,303.17369,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
511846,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,303.17369,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
511847,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,303.17369,[M+H]+,60.0,test,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
511848,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,303.17369,[M+H]+,30.0,test,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
511849,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,303.17369,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
511850,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,303.17369,[M+H]+,60.0,test,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
511851,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,303.17369,[M+H]+,30.0,test,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
511852,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,303.17369,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
511853,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1,303.17369,[M+H]+,20.0,test,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1
511854,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1,303.17369,[M+H]+,20.0,test,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1
511855,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1,303.17369,[M+H]+,45.0,test,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1
511856,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1,303.17369,[M+H]+,60.0,test,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1
511857,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1,303.17369,[M+H]+,20.0,test,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1
511858,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1,303.17369,[M+H]+,45.0,test,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1
511859,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1,303.17369,[M+H]+,20.0,test,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1
511860,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1,303.17369,[M+H]+,60.0,test,O=S(=O)(NC1CCN(CC2CCOCC2)CC1)C1CC1
511861,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,333.14897,[M-H]-,20.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511862,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,333.14897,[M-H]-,20.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511863,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,333.14897,[M-H]-,30.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511864,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,333.14897,[M-H]-,60.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511865,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,333.14897,[M-H]-,20.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511866,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,333.14897,[M-H]-,45.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511867,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,333.14897,[M-H]-,60.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511868,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,333.14897,[M-H]-,20.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511869,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,333.14897,[M-H]-,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511870,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,333.14897,[M-H]-,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511871,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,333.14897,[M-H]-,60.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511872,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,333.14897,[M-H]-,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511873,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,333.14897,[M-H]-,45.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511874,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,333.14897,[M-H]-,60.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511875,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,333.14897,[M-H]-,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511876,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,333.14897,[M-H]-,45.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511877,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,317.15296,[M+H-H2O]+,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511878,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,317.15296,[M+H-H2O]+,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511879,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,317.15296,[M+H-H2O]+,60.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511880,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,317.15296,[M+H-H2O]+,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511881,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,317.15296,[M+H-H2O]+,45.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511882,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,335.16352,[M+H]+,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511883,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,335.16352,[M+H]+,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511884,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,335.16352,[M+H]+,60.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511885,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,335.16352,[M+H]+,15.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511886,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1,335.16352,[M+H]+,20.0,test,CCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
511887,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,335.16352,[M+H]+,20.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511888,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,335.16352,[M+H]+,20.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511889,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,335.16352,[M+H]+,60.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511890,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,335.16352,[M+H]+,30.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511891,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1,335.16352,[M+H]+,20.0,test,CC1(C)CCN(S(=O)(=O)N2CCOC(C)(C)C2)C(C(=O)O)C1
511892,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3,267.21794,[M+H]+,20.0,test,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3
511893,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3,267.21794,[M+H]+,20.0,test,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3
511894,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3,267.21794,[M+H]+,60.0,test,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3
511895,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3,267.21794,[M+H]+,30.0,test,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3
511896,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3,267.21794,[M+H]+,20.0,test,NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3
511897,CC(N(C)Cc1nnc2CCCCCn21)C(C)(C)O,267.21794,[M+H]+,20.0,test,CC(N(C)Cc1nnc2n1CCCCC2)C(C)(C)O
511898,CC(N(C)Cc1nnc2CCCCCn21)C(C)(C)O,267.21794,[M+H]+,20.0,test,CC(N(C)Cc1nnc2n1CCCCC2)C(C)(C)O
511899,CC(N(C)Cc1nnc2CCCCCn21)C(C)(C)O,267.21794,[M+H]+,60.0,test,CC(N(C)Cc1nnc2n1CCCCC2)C(C)(C)O
511900,CC(N(C)Cc1nnc2CCCCCn21)C(C)(C)O,267.21794,[M+H]+,30.0,test,CC(N(C)Cc1nnc2n1CCCCC2)C(C)(C)O
511901,CC(N(C)Cc1nnc2CCCCCn21)C(C)(C)O,267.21794,[M+H]+,20.0,test,CC(N(C)Cc1nnc2n1CCCCC2)C(C)(C)O
511902,CC(N(C)Cc1nnc2CCCCCn21)C(C)(C)O,267.21794,[M+H]+,60.0,test,CC(N(C)Cc1nnc2n1CCCCC2)C(C)(C)O
511903,CC(N(C)Cc1nnc2CCCCCn21)C(C)(C)O,267.21794,[M+H]+,30.0,test,CC(N(C)Cc1nnc2n1CCCCC2)C(C)(C)O
511904,CC(N(C)Cc1nnc2CCCCCn21)C(C)(C)O,267.21794,[M+H]+,20.0,test,CC(N(C)Cc1nnc2n1CCCCC2)C(C)(C)O
511905,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1,321.18425,[M+H]+,20.0,test,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1
511906,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1,321.18425,[M+H]+,20.0,test,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1
511907,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1,321.18425,[M+H]+,60.0,test,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1
511908,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1,321.18425,[M+H]+,30.0,test,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1
511909,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1,321.18425,[M+H]+,20.0,test,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1
511910,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1,321.18425,[M+H]+,60.0,test,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1
511911,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1,321.18425,[M+H]+,30.0,test,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1
511912,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1,321.18425,[M+H]+,20.0,test,CNC(=O)C1CN(S(=O)(=O)CC(C(C)C)C(C)C)CCO1
511913,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,293.24348,[M+H]+,20.0,test,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
511914,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,293.24348,[M+H]+,20.0,test,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
511915,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,293.24348,[M+H]+,60.0,test,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
511916,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,293.24348,[M+H]+,30.0,test,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
511917,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,293.24348,[M+H]+,20.0,test,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
511918,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,315.22543,[M+Na]+,45.0,test,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
511919,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,315.22543,[M+Na]+,45.0,test,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
511920,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,355.95566,[M-H]-,20.0,test,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
511921,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,355.95566,[M-H]-,20.0,test,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
511922,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,355.95566,[M-H]-,60.0,test,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
511923,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,355.95566,[M-H]-,30.0,test,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
511924,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,355.95566,[M-H]-,20.0,test,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
511925,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,355.95566,[M-H]-,60.0,test,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
511926,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,355.95566,[M-H]-,30.0,test,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
511927,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,355.95566,[M-H]-,20.0,test,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
511928,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N,359.01303,[M+H]+,30.0,test,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N
511929,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N,359.01303,[M+H]+,30.0,test,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N
511930,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N,359.01303,[M+H]+,60.0,test,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N
511931,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N,359.01303,[M+H]+,20.0,test,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N
511932,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N,359.01303,[M+H]+,30.0,test,COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N
511933,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1,347.96884,[M+H]+,20.0,test,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1
511934,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1,347.96884,[M+H]+,20.0,test,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1
511935,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1,347.96884,[M+H]+,60.0,test,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1
511936,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1,347.96884,[M+H]+,30.0,test,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1
511937,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1,347.96884,[M+H]+,20.0,test,O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1
511938,Clc1cccc(Nc2nccc(-c3cc(Cl)ncc3)n2)c1,317.03553,[M+H]+,20.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511939,Clc1cccc(Nc2nccc(-c3cc(Cl)ncc3)n2)c1,317.03553,[M+H]+,20.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511940,Clc1cccc(Nc2nccc(-c3cc(Cl)ncc3)n2)c1,317.03553,[M+H]+,60.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511941,Clc1cccc(Nc2nccc(-c3cc(Cl)ncc3)n2)c1,317.03553,[M+H]+,20.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511942,Clc1cccc(Nc2nccc(-c3cc(Cl)ncc3)n2)c1,317.03553,[M+H]+,60.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511943,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1,317.03553,[M+H]+,20.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511944,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1,317.03553,[M+H]+,20.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511945,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1,317.03553,[M+H]+,60.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511946,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1,317.03553,[M+H]+,30.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511947,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1,317.03553,[M+H]+,20.0,test,Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1
511948,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,331.04706,[M-H]-,20.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511949,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,331.04706,[M-H]-,20.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511950,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,331.04706,[M-H]-,45.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511951,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,331.04706,[M-H]-,60.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511952,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,331.04706,[M-H]-,20.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511953,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,333.06161,[M+H]+,20.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511954,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,333.06161,[M+H]+,20.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511955,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,333.06161,[M+H]+,45.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511956,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,333.06161,[M+H]+,60.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511957,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1,333.06161,[M+H]+,20.0,test,Cc1cncc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1
511958,Cn1cc(NC(=O)c2cc3c(cc2)nccc3)c(C(F)(F)F)n1,321.09577,[M+H]+,20.0,test,Cn1cc(NC(=O)c2ccc3ncccc3c2)c(C(F)(F)F)n1
511959,Cn1cc(NC(=O)c2cc3c(cc2)nccc3)c(C(F)(F)F)n1,321.09577,[M+H]+,20.0,test,Cn1cc(NC(=O)c2ccc3ncccc3c2)c(C(F)(F)F)n1
511960,Cn1cc(NC(=O)c2cc3c(cc2)nccc3)c(C(F)(F)F)n1,321.09577,[M+H]+,60.0,test,Cn1cc(NC(=O)c2ccc3ncccc3c2)c(C(F)(F)F)n1
511961,Cn1cc(NC(=O)c2cc3c(cc2)nccc3)c(C(F)(F)F)n1,321.09577,[M+H]+,20.0,test,Cn1cc(NC(=O)c2ccc3ncccc3c2)c(C(F)(F)F)n1
511962,Cn1cc(NC(=O)c2cc3c(cc2)nccc3)c(C(F)(F)F)n1,321.09577,[M+H]+,45.0,test,Cn1cc(NC(=O)c2ccc3ncccc3c2)c(C(F)(F)F)n1
511963,Cn1cc(NC(=O)c2cc3c(cc2)nccc3)c(C(F)(F)F)n1,321.09577,[M+H]+,60.0,test,Cn1cc(NC(=O)c2ccc3ncccc3c2)c(C(F)(F)F)n1
511964,Cn1cc(NC(=O)c2cc3c(cc2)nccc3)c(C(F)(F)F)n1,321.09577,[M+H]+,20.0,test,Cn1cc(NC(=O)c2ccc3ncccc3c2)c(C(F)(F)F)n1
511965,Cn1cc(NC(=O)c2cc3c(cc2)nccc3)c(C(F)(F)F)n1,321.09577,[M+H]+,45.0,test,Cn1cc(NC(=O)c2ccc3ncccc3c2)c(C(F)(F)F)n1
511966,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,355.0579,[M+Cl]-,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511967,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,355.0579,[M+Cl]-,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511968,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,355.0579,[M+Cl]-,60.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511969,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,355.0579,[M+Cl]-,15.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511970,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,355.0579,[M+Cl]-,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511971,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,365.0867,[M+FA]-,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511972,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,365.0867,[M+FA]-,15.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511973,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,365.0867,[M+FA]-,15.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511974,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,365.0867,[M+FA]-,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511975,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,365.0867,[M+FA]-,60.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511976,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,285.07465,[M+H-2H2O]+,45.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511977,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,285.07465,[M+H-2H2O]+,45.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511978,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,285.07465,[M+H-2H2O]+,45.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511979,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,285.07465,[M+H-2H2O]+,20.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511980,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,285.07465,[M+H-2H2O]+,60.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511981,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,321.09577,[M+H]+,20.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511982,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,321.09577,[M+H]+,20.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511983,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,321.09577,[M+H]+,30.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511984,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,321.09577,[M+H]+,60.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511985,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,321.09577,[M+H]+,15.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511986,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,321.09577,[M+H]+,20.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511987,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,321.09577,[M+H]+,60.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511988,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1,321.09577,[M+H]+,20.0,test,Cc1nc2c(NC(=O)c3cccc(C(F)(F)F)c3)cccn2n1
511989,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,321.09577,[M+H]+,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511990,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,321.09577,[M+H]+,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511991,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,321.09577,[M+H]+,60.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511992,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,321.09577,[M+H]+,30.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511993,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,321.09577,[M+H]+,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511994,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,321.09577,[M+H]+,60.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511995,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,321.09577,[M+H]+,20.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511996,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1,321.09577,[M+H]+,30.0,test,N#Cc1ncccc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1
511997,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21,346.00081,[M+H]+,20.0,test,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21
511998,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21,346.00081,[M+H]+,20.0,test,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21
511999,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21,346.00081,[M+H]+,60.0,test,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21
512000,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21,346.00081,[M+H]+,30.0,test,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21
512001,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21,346.00081,[M+H]+,20.0,test,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21
512002,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21,346.00081,[M+H]+,60.0,test,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21
512003,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21,346.00081,[M+H]+,30.0,test,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21
512004,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21,346.00081,[M+H]+,20.0,test,Cn1/c(=N/N=C/c2ccc(Br)cc2)sc2ccccc21
512005,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512006,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512007,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,60.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512008,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,30.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512009,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512010,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,60.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512011,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,30.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512012,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512013,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512014,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512015,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,60.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512016,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,30.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512017,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512018,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512019,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512020,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,60.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512021,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512022,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,45.0,test,CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512023,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512024,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512025,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,60.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512026,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512027,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,45.0,test,C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512028,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512029,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512030,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,60.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512031,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,30.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512032,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512033,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,60.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512034,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,30.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512035,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,355.0579,[M-H]-,20.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512036,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512037,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512038,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,60.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512039,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,20.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512040,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F,357.07245,[M+H]+,45.0,test,C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F
512041,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,387.02997,[M-H]-,20.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512042,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,387.02997,[M-H]-,20.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512043,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,387.02997,[M-H]-,60.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512044,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,387.02997,[M-H]-,20.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512045,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,387.02997,[M-H]-,45.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512046,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,387.02997,[M-H]-,60.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512047,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,387.02997,[M-H]-,20.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512048,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,387.02997,[M-H]-,45.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512049,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,423.00664,[M+Cl]-,20.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512050,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,423.00664,[M+Cl]-,60.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512051,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,423.00664,[M+Cl]-,20.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512052,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,389.04452,[M+H]+,30.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512053,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,389.04452,[M+H]+,30.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512054,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,389.04452,[M+H]+,20.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512055,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,389.04452,[M+H]+,60.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512056,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,389.04452,[M+H]+,30.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512057,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,389.04452,[M+H]+,20.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512058,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,389.04452,[M+H]+,60.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512059,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1,389.04452,[M+H]+,30.0,test,O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC2CC2(C(F)(F)F)C1
512060,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,320.01537,[M-H]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512061,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,320.01537,[M-H]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512062,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,320.01537,[M-H]-,60.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512063,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,320.01537,[M-H]-,30.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512064,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,320.01537,[M-H]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512065,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,320.01537,[M-H]-,30.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512066,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,320.01537,[M-H]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512067,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,320.01537,[M-H]-,60.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512068,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,355.99204,[M+Cl]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512069,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,355.99204,[M+Cl]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512070,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,355.99204,[M+Cl]-,60.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512071,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,355.99204,[M+Cl]-,15.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512072,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,366.02084,[M+FA]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512073,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,366.02084,[M+FA]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512074,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,366.02084,[M+FA]-,60.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512075,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,366.02084,[M+FA]-,15.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512076,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,366.02084,[M+FA]-,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512077,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,322.02992,[M+H]+,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512078,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,322.02992,[M+H]+,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512079,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,322.02992,[M+H]+,60.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512080,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,322.02992,[M+H]+,30.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512081,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,322.02992,[M+H]+,20.0,test,O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
512082,Cc1c2NC(=O)C(O)(CC(=O)c3ccco3)c2c(Cl)cc1,304.03821,[M-H]-,20.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512083,Cc1c2NC(=O)C(O)(CC(=O)c3ccco3)c2c(Cl)cc1,304.03821,[M-H]-,20.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512084,Cc1c2NC(=O)C(O)(CC(=O)c3ccco3)c2c(Cl)cc1,304.03821,[M-H]-,15.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512085,Cc1c2NC(=O)C(O)(CC(=O)c3ccco3)c2c(Cl)cc1,304.03821,[M-H]-,20.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512086,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl,304.03821,[M-H]-,15.0,test,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl
512087,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl,304.03821,[M-H]-,20.0,test,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl
512088,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl,304.03821,[M-H]-,15.0,test,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl
512089,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1,306.05276,[M+H]+,20.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512090,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1,306.05276,[M+H]+,20.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512091,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1,306.05276,[M+H]+,60.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512092,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1,306.05276,[M+H]+,15.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512093,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1,306.05276,[M+H]+,20.0,test,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1
512094,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl,306.05276,[M+H]+,45.0,test,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl
512095,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl,306.05276,[M+H]+,45.0,test,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl
512096,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl,306.05276,[M+H]+,45.0,test,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl
512097,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl,306.05276,[M+H]+,20.0,test,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl
512098,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl,306.05276,[M+H]+,60.0,test,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl
512099,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1,291.09396,[M+H]+,20.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1
512100,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1,291.09396,[M+H]+,20.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1
512101,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1,291.09396,[M+H]+,60.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1
512102,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1,291.09396,[M+H]+,20.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1
512103,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1,291.09396,[M+H]+,60.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1[C@@H]1CC[C@H]2C1
512104,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1,291.09396,[M+H]+,20.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
512105,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1,291.09396,[M+H]+,20.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
512106,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1,291.09396,[M+H]+,60.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
512107,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1,291.09396,[M+H]+,20.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
512108,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1,291.09396,[M+H]+,20.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
512109,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1,291.09396,[M+H]+,60.0,test,O=C(O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
512110,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,321.05148,[M-H]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512111,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,321.05148,[M-H]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512112,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,321.05148,[M-H]-,60.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512113,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,321.05148,[M-H]-,30.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512114,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,321.05148,[M-H]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512115,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,321.05148,[M-H]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512116,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,321.05148,[M-H]-,30.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512117,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,321.05148,[M-H]-,60.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512118,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,357.02816,[M+Cl]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512119,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,357.02816,[M+Cl]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512120,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,357.02816,[M+Cl]-,60.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512121,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,357.02816,[M+Cl]-,15.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512122,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,357.02816,[M+Cl]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512123,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,357.02816,[M+Cl]-,15.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512124,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,357.02816,[M+Cl]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512125,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,357.02816,[M+Cl]-,60.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512126,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,367.05696,[M+FA]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512127,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,367.05696,[M+FA]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512128,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,367.05696,[M+FA]-,60.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512129,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,367.05696,[M+FA]-,15.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512130,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,367.05696,[M+FA]-,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512131,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C,321.05148,[M-H]-,20.0,test,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C
512132,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C,321.05148,[M-H]-,20.0,test,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C
512133,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C,321.05148,[M-H]-,60.0,test,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C
512134,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C,321.05148,[M-H]-,30.0,test,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C
512135,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C,321.05148,[M-H]-,20.0,test,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C
512136,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C,321.05148,[M-H]-,60.0,test,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C
512137,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C,321.05148,[M-H]-,30.0,test,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C
512138,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C,321.05148,[M-H]-,20.0,test,Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C
512139,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,323.06603,[M+H]+,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512140,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,323.06603,[M+H]+,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512141,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,323.06603,[M+H]+,60.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512142,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,323.06603,[M+H]+,15.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512143,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,323.06603,[M+H]+,20.0,test,Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1
512144,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,349.05763,[M-H]-,20.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512145,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,349.05763,[M-H]-,60.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512146,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,349.05763,[M-H]-,30.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512147,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,349.05763,[M-H]-,20.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512148,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,349.05763,[M-H]-,60.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512149,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,349.05763,[M-H]-,30.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512150,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,349.05763,[M-H]-,20.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512151,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,351.07218,[M+H]+,20.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512152,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,351.07218,[M+H]+,20.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512153,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,351.07218,[M+H]+,60.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512154,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,351.07218,[M+H]+,15.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512155,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1,351.07218,[M+H]+,20.0,test,O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(F)cc(F)c1
512156,CSC1(C(=O)Nc2cc3c(cc2)oc(C(F)(F)F)cc3=O)CC1,344.05627,[M+H]+,20.0,test,CSC1(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)CC1
512157,CSC1(C(=O)Nc2cc3c(cc2)oc(C(F)(F)F)cc3=O)CC1,344.05627,[M+H]+,20.0,test,CSC1(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)CC1
512158,CSC1(C(=O)Nc2cc3c(cc2)oc(C(F)(F)F)cc3=O)CC1,344.05627,[M+H]+,60.0,test,CSC1(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)CC1
512159,CSC1(C(=O)Nc2cc3c(cc2)oc(C(F)(F)F)cc3=O)CC1,344.05627,[M+H]+,30.0,test,CSC1(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)CC1
512160,CSC1(C(=O)Nc2cc3c(cc2)oc(C(F)(F)F)cc3=O)CC1,344.05627,[M+H]+,20.0,test,CSC1(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)CC1
512161,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512162,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512163,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512164,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512165,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512166,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512167,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512168,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512169,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512170,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512171,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512172,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,15.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512173,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512174,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512175,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512176,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512177,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,15.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512178,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512179,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512180,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512181,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512182,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512183,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512184,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512185,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512186,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512187,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,15.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512188,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512189,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512190,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512191,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512192,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512193,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512194,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512195,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512196,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512197,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512198,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512199,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512200,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512201,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512202,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512203,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512204,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512205,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512206,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512207,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512208,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512209,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512210,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512211,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512212,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,15.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512213,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512214,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512215,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,15.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512216,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512217,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512218,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512219,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512220,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512221,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512222,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512223,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512224,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,649.78278,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512225,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512226,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512227,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512228,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,685.75945,[M+Cl]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512229,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512230,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512231,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512232,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,15.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512233,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512234,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512235,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,15.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512236,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,695.78825,[M+FA]-,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512237,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512238,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512239,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512240,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512241,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512242,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512243,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512244,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512245,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512246,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512247,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512248,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512249,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512250,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,651.79733,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
512251,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512252,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512253,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,60.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512254,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,15.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512255,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512256,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,60.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512257,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512258,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512259,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512260,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,60.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512261,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,30.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512262,O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)cc2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
512263,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,303.05103,[M-H]-,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512264,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,303.05103,[M-H]-,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512265,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,303.05103,[M-H]-,60.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512266,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,303.05103,[M-H]-,30.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512267,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,303.05103,[M-H]-,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512268,COc1c2oc3c(c(O)cc(O)c3OC)c(=O)c2c(O)cc1,303.05103,[M-H]-,20.0,test,COc1ccc(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc12
512269,COc1c2oc3c(c(O)cc(O)c3OC)c(=O)c2c(O)cc1,303.05103,[M-H]-,20.0,test,COc1ccc(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc12
512270,COc1c2oc3c(c(O)cc(O)c3OC)c(=O)c2c(O)cc1,303.05103,[M-H]-,60.0,test,COc1ccc(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc12
512271,COc1c2oc3c(c(O)cc(O)c3OC)c(=O)c2c(O)cc1,303.05103,[M-H]-,30.0,test,COc1ccc(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc12
512272,COc1c2oc3c(c(O)cc(O)c3OC)c(=O)c2c(O)cc1,303.05103,[M-H]-,20.0,test,COc1ccc(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc12
512273,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O
512274,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O
512275,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O,303.05103,[M-H]-,60.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O
512276,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O,303.05103,[M-H]-,30.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O
512277,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O
512278,COC1(c2cc(O)c(O)cc2)Oc2cc(O)cc(O)c2C1=O,349.05651,[M+FA]-,20.0,test,COC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1=O
512279,COC1(c2cc(O)c(O)cc2)Oc2cc(O)cc(O)c2C1=O,349.05651,[M+FA]-,20.0,test,COC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1=O
512280,COC1(c2cc(O)c(O)cc2)Oc2cc(O)cc(O)c2C1=O,349.05651,[M+FA]-,60.0,test,COC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1=O
512281,COC1(c2cc(O)c(O)cc2)Oc2cc(O)cc(O)c2C1=O,349.05651,[M+FA]-,15.0,test,COC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1=O
512282,COC1(c2cc(O)c(O)cc2)Oc2cc(O)cc(O)c2C1=O,349.05651,[M+FA]-,20.0,test,COC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1=O
512283,O=C1c2c(cc(O)cc2)O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
512284,O=C1c2c(cc(O)cc2)O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
512285,O=C1c2c(cc(O)cc2)O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,303.05103,[M-H]-,60.0,test,O=C1c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
512286,O=C1c2c(cc(O)cc2)O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,303.05103,[M-H]-,15.0,test,O=C1c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
512287,O=C1c2c(cc(O)cc2)O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,303.05103,[M-H]-,20.0,test,O=C1c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
512288,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,287.05502,[M+H-H2O]+,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512289,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,287.05502,[M+H-H2O]+,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512290,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,287.05502,[M+H-H2O]+,60.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512291,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,287.05502,[M+H-H2O]+,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512292,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,287.05502,[M+H-H2O]+,45.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512293,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,305.06558,[M+H]+,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512294,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,305.06558,[M+H]+,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512295,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,305.06558,[M+H]+,60.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512296,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,305.06558,[M+H]+,15.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512297,COc1c(O)c(C(=O)O)c2c(=O)c3c(C=C(C)OC3)oc2c1,305.06558,[M+H]+,20.0,test,COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3
512298,COC(=O)c1c(COc2c(C(N)=O)cc(Cl)cc2)nccc1,321.06366,[M+H]+,20.0,test,COC(=O)c1cccnc1COc1ccc(Cl)cc1C(N)=O
512299,COC(=O)c1c(COc2c(C(N)=O)cc(Cl)cc2)nccc1,321.06366,[M+H]+,20.0,test,COC(=O)c1cccnc1COc1ccc(Cl)cc1C(N)=O
512300,COC(=O)c1c(COc2c(C(N)=O)cc(Cl)cc2)nccc1,321.06366,[M+H]+,60.0,test,COC(=O)c1cccnc1COc1ccc(Cl)cc1C(N)=O
512301,COC(=O)c1c(COc2c(C(N)=O)cc(Cl)cc2)nccc1,321.06366,[M+H]+,30.0,test,COC(=O)c1cccnc1COc1ccc(Cl)cc1C(N)=O
512302,COC(=O)c1c(COc2c(C(N)=O)cc(Cl)cc2)nccc1,321.06366,[M+H]+,20.0,test,COC(=O)c1cccnc1COc1ccc(Cl)cc1C(N)=O
512303,COC(=O)c1c(COc2c(C(N)=O)cc(Cl)cc2)nccc1,321.06366,[M+H]+,60.0,test,COC(=O)c1cccnc1COc1ccc(Cl)cc1C(N)=O
512304,COC(=O)c1c(COc2c(C(N)=O)cc(Cl)cc2)nccc1,321.06366,[M+H]+,30.0,test,COC(=O)c1cccnc1COc1ccc(Cl)cc1C(N)=O
512305,COC(=O)c1c(COc2c(C(N)=O)cc(Cl)cc2)nccc1,321.06366,[M+H]+,20.0,test,COC(=O)c1cccnc1COc1ccc(Cl)cc1C(N)=O
512306,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,299.07051,[M-H]-,20.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512307,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,299.07051,[M-H]-,20.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512308,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,299.07051,[M-H]-,60.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512309,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,299.07051,[M-H]-,20.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512310,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,299.07051,[M-H]-,45.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512311,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,299.07051,[M-H]-,20.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512312,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,299.07051,[M-H]-,20.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512313,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,299.07051,[M-H]-,60.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512314,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,299.07051,[M-H]-,30.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512315,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,299.07051,[M-H]-,20.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512316,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,299.07051,[M-H]-,20.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512317,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,299.07051,[M-H]-,20.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512318,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,299.07051,[M-H]-,60.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512319,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,299.07051,[M-H]-,20.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512320,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,299.07051,[M-H]-,45.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512321,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,301.08506,[M+H]+,20.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512322,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,301.08506,[M+H]+,20.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512323,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,301.08506,[M+H]+,60.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512324,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,301.08506,[M+H]+,20.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512325,N#CC1(CC(=O)Nc2nn(-c3ccccc3Cl)cc2)CC1,301.08506,[M+H]+,45.0,test,N#CC1(CC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1
512326,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,301.08506,[M+H]+,20.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512327,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,301.08506,[M+H]+,20.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512328,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,301.08506,[M+H]+,60.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512329,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,301.08506,[M+H]+,30.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512330,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,301.08506,[M+H]+,20.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512331,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,301.08506,[M+H]+,60.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512332,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,301.08506,[M+H]+,30.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512333,O=C(Cc1c[nH]c2ncccc12)NCc1nccc(Cl)c1,301.08506,[M+H]+,20.0,test,O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1
512334,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,301.08506,[M+H]+,20.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512335,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,301.08506,[M+H]+,20.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512336,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,301.08506,[M+H]+,30.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512337,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,301.08506,[M+H]+,60.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512338,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,301.08506,[M+H]+,20.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512339,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,301.08506,[M+H]+,45.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512340,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,301.08506,[M+H]+,60.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512341,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12,301.08506,[M+H]+,20.0,test,CC(NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12
512342,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,299.07051,[M-H]-,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512343,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,299.07051,[M-H]-,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512344,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,299.07051,[M-H]-,45.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512345,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,299.07051,[M-H]-,60.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512346,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,299.07051,[M-H]-,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512347,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,299.07051,[M-H]-,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512348,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,299.07051,[M-H]-,45.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512349,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,299.07051,[M-H]-,60.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512350,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,345.07599,[M+FA]-,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512351,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,345.07599,[M+FA]-,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512352,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,345.07599,[M+FA]-,60.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512353,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,345.07599,[M+FA]-,15.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512354,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,345.07599,[M+FA]-,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512355,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1,301.08506,[M+H]+,20.0,test,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1
512356,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1,301.08506,[M+H]+,20.0,test,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1
512357,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1,301.08506,[M+H]+,45.0,test,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1
512358,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1,301.08506,[M+H]+,60.0,test,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1
512359,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1,301.08506,[M+H]+,20.0,test,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1
512360,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1,301.08506,[M+H]+,20.0,test,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1
512361,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1,301.08506,[M+H]+,45.0,test,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1
512362,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1,301.08506,[M+H]+,60.0,test,Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1
512363,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1,301.08506,[M+H]+,20.0,test,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1
512364,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1,301.08506,[M+H]+,20.0,test,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1
512365,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1,301.08506,[M+H]+,30.0,test,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1
512366,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1,301.08506,[M+H]+,60.0,test,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1
512367,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1,301.08506,[M+H]+,15.0,test,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1
512368,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1,301.08506,[M+H]+,20.0,test,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1
512369,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1,301.08506,[M+H]+,60.0,test,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1
512370,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1,301.08506,[M+H]+,20.0,test,Clc1ccccc1C1CC(c2ccco2)n2ncnc2N1
512371,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1,301.08506,[M+H]+,20.0,test,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1
512372,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1,301.08506,[M+H]+,20.0,test,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1
512373,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1,301.08506,[M+H]+,45.0,test,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1
512374,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1,301.08506,[M+H]+,60.0,test,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1
512375,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1,301.08506,[M+H]+,20.0,test,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1
512376,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1,301.08506,[M+H]+,45.0,test,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1
512377,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1,301.08506,[M+H]+,60.0,test,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1
512378,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1,301.08506,[M+H]+,20.0,test,Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1
512379,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,301.08506,[M+H]+,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512380,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,301.08506,[M+H]+,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512381,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,301.08506,[M+H]+,45.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512382,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,301.08506,[M+H]+,60.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512383,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21,301.08506,[M+H]+,20.0,test,Cn1nnc2cc(CNC(=O)c3cccc(Cl)c3)ccc21
512384,Clc1cc2c(cc1)Oc1ncnc(N3CCOCC3)c1N=C2,317.07998,[M+H]+,20.0,test,Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2
512385,Clc1cc2c(cc1)Oc1ncnc(N3CCOCC3)c1N=C2,317.07998,[M+H]+,20.0,test,Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2
512386,Clc1cc2c(cc1)Oc1ncnc(N3CCOCC3)c1N=C2,317.07998,[M+H]+,60.0,test,Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2
512387,Clc1cc2c(cc1)Oc1ncnc(N3CCOCC3)c1N=C2,317.07998,[M+H]+,20.0,test,Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2
512388,Clc1cc2c(cc1)Oc1ncnc(N3CCOCC3)c1N=C2,317.07998,[M+H]+,60.0,test,Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2
512389,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,315.06543,[M-H]-,20.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512390,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,315.06543,[M-H]-,20.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512391,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,315.06543,[M-H]-,60.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512392,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,315.06543,[M-H]-,30.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512393,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,315.06543,[M-H]-,20.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512394,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,361.07091,[M+FA]-,20.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512395,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,361.07091,[M+FA]-,20.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512396,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,361.07091,[M+FA]-,60.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512397,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,361.07091,[M+FA]-,15.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512398,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1,361.07091,[M+FA]-,20.0,test,O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1
512399,Cc1nc2c(cc1)c(Cl)c(C)c(-n1nc(C)c(C#N)c1N)n2,313.0963,[M+H]+,20.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512400,Cc1nc2c(cc1)c(Cl)c(C)c(-n1nc(C)c(C#N)c1N)n2,313.0963,[M+H]+,20.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512401,Cc1nc2c(cc1)c(Cl)c(C)c(-n1nc(C)c(C#N)c1N)n2,313.0963,[M+H]+,60.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512402,Cc1nc2c(cc1)c(Cl)c(C)c(-n1nc(C)c(C#N)c1N)n2,313.0963,[M+H]+,20.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512403,Cc1nc2c(cc1)c(Cl)c(C)c(-n1nc(C)c(C#N)c1N)n2,313.0963,[M+H]+,45.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512404,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1,313.0963,[M+H]+,20.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512405,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1,313.0963,[M+H]+,20.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512406,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1,313.0963,[M+H]+,45.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512407,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1,313.0963,[M+H]+,60.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512408,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1,313.0963,[M+H]+,20.0,test,Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1
512409,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,327.07666,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512410,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,327.07666,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512411,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,327.07666,[M-H]-,60.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512412,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,327.07666,[M-H]-,30.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512413,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,327.07666,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512414,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,327.07666,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512415,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,327.07666,[M-H]-,30.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512416,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,327.07666,[M-H]-,60.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512417,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,363.05334,[M+Cl]-,20.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512418,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,363.05334,[M+Cl]-,20.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512419,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,363.05334,[M+Cl]-,60.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512420,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,363.05334,[M+Cl]-,15.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512421,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1,363.05334,[M+Cl]-,20.0,test,O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cnnn1
512422,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,315.07213,[M-H]-,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512423,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,315.07213,[M-H]-,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512424,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,315.07213,[M-H]-,45.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512425,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,315.07213,[M-H]-,60.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512426,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,315.07213,[M-H]-,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512427,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,315.07213,[M-H]-,45.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512428,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,315.07213,[M-H]-,60.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512429,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,315.07213,[M-H]-,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512430,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,351.04881,[M+Cl]-,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512431,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,351.04881,[M+Cl]-,60.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512432,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,317.08669,[M+H]+,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512433,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,317.08669,[M+H]+,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512434,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,317.08669,[M+H]+,60.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512435,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,317.08669,[M+H]+,30.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512436,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,317.08669,[M+H]+,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512437,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,317.08669,[M+H]+,60.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512438,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,317.08669,[M+H]+,30.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512439,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1,317.08669,[M+H]+,20.0,test,CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1
512440,Fc1ccccc1OCCSc1nnnn1-c1ccccc1,317.08669,[M+H]+,20.0,test,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
512441,Fc1ccccc1OCCSc1nnnn1-c1ccccc1,317.08669,[M+H]+,20.0,test,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
512442,Fc1ccccc1OCCSc1nnnn1-c1ccccc1,317.08669,[M+H]+,60.0,test,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
512443,Fc1ccccc1OCCSc1nnnn1-c1ccccc1,317.08669,[M+H]+,30.0,test,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
512444,Fc1ccccc1OCCSc1nnnn1-c1ccccc1,317.08669,[M+H]+,20.0,test,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
512445,Fc1ccccc1OCCSc1nnnn1-c1ccccc1,317.08669,[M+H]+,60.0,test,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
512446,Fc1ccccc1OCCSc1nnnn1-c1ccccc1,317.08669,[M+H]+,30.0,test,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
512447,Fc1ccccc1OCCSc1nnnn1-c1ccccc1,317.08669,[M+H]+,20.0,test,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
512448,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,266.0935,[M-H]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512449,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,266.0935,[M-H]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512450,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,266.0935,[M-H]-,60.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512451,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,266.0935,[M-H]-,30.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512452,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,266.0935,[M-H]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512453,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,266.0935,[M-H]-,60.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512454,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,266.0935,[M-H]-,30.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512455,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,266.0935,[M-H]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512456,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,302.07018,[M+Cl]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512457,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,302.07018,[M+Cl]-,15.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512458,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,302.07018,[M+Cl]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512459,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,312.09898,[M+FA]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512460,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,312.09898,[M+FA]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512461,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,312.09898,[M+FA]-,60.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512462,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,312.09898,[M+FA]-,15.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512463,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,312.09898,[M+FA]-,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512464,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,268.10805,[M+H]+,15.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512465,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,268.10805,[M+H]+,15.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512466,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,268.10805,[M+H]+,20.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512467,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,268.10805,[M+H]+,60.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512468,O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)[nH]cc1,268.10805,[M+H]+,15.0,test,O=C(NCc1cc2ccccc2[nH]1)c1cc[nH]c(=O)c1
512469,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,314.06049,[M-H]-,20.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512470,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,314.06049,[M-H]-,20.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512471,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,314.06049,[M-H]-,60.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512472,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,314.06049,[M-H]-,30.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512473,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,314.06049,[M-H]-,20.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512474,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,316.07504,[M+H]+,20.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512475,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,316.07504,[M+H]+,20.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512476,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,316.07504,[M+H]+,60.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512477,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,316.07504,[M+H]+,20.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512478,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1,316.07504,[M+H]+,45.0,test,COC(=O)Nc1nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1
512479,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,314.06049,[M-H]-,20.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512480,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,314.06049,[M-H]-,20.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512481,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,314.06049,[M-H]-,60.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512482,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,314.06049,[M-H]-,30.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512483,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,314.06049,[M-H]-,20.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512484,CCOC(=O)c1c[nH]c2c(c1=O)c1c(cc2)c(SC)ncn1,316.07504,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512485,CCOC(=O)c1c[nH]c2c(c1=O)c1c(cc2)c(SC)ncn1,316.07504,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512486,CCOC(=O)c1c[nH]c2c(c1=O)c1c(cc2)c(SC)ncn1,316.07504,[M+H]+,60.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512487,CCOC(=O)c1c[nH]c2c(c1=O)c1c(cc2)c(SC)ncn1,316.07504,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512488,CCOC(=O)c1c[nH]c2c(c1=O)c1c(cc2)c(SC)ncn1,316.07504,[M+H]+,45.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512489,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,316.07504,[M+H]+,20.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512490,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,316.07504,[M+H]+,20.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512491,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,316.07504,[M+H]+,60.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512492,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,316.07504,[M+H]+,30.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512493,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,316.07504,[M+H]+,20.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512494,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,316.07504,[M+H]+,60.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512495,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,316.07504,[M+H]+,30.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512496,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1,316.07504,[M+H]+,20.0,test,COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
512497,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,314.06049,[M-H]-,20.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512498,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,314.06049,[M-H]-,20.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512499,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,314.06049,[M-H]-,60.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512500,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,314.06049,[M-H]-,30.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512501,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,314.06049,[M-H]-,20.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512502,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,314.06049,[M-H]-,20.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512503,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,314.06049,[M-H]-,20.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512504,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,314.06049,[M-H]-,45.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512505,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,314.06049,[M-H]-,60.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512506,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,314.06049,[M-H]-,20.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512507,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,316.07504,[M+H]+,20.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512508,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,316.07504,[M+H]+,20.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512509,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,316.07504,[M+H]+,60.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512510,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,316.07504,[M+H]+,30.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512511,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,316.07504,[M+H]+,20.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512512,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,316.07504,[M+H]+,30.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512513,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,316.07504,[M+H]+,60.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512514,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,316.07504,[M+H]+,20.0,test,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
512515,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,316.07504,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1
512516,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,316.07504,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1
512517,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,316.07504,[M+H]+,60.0,test,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1
512518,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,316.07504,[M+H]+,30.0,test,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1
512519,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,316.07504,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1
512520,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O,316.07504,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512521,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O,316.07504,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512522,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O,316.07504,[M+H]+,45.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512523,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O,316.07504,[M+H]+,60.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512524,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O,316.07504,[M+H]+,20.0,test,CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O
512525,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,316.07504,[M+H]+,20.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512526,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,316.07504,[M+H]+,20.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512527,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,316.07504,[M+H]+,45.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512528,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,316.07504,[M+H]+,60.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512529,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,316.07504,[M+H]+,20.0,test,CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C
512530,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512531,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512532,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512533,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,30.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512534,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512535,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512536,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512537,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512538,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,30.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512539,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512540,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512541,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,30.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512542,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512543,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512544,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512545,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,30.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512546,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512547,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512548,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,30.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512549,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512550,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,330.0554,[M-H]-,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512551,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512552,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512553,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512554,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,30.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512555,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512556,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,60.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512557,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,30.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512558,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,332.06995,[M+H]+,20.0,test,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
512559,CN(c1c2sccc2ncn1)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,20.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512560,CN(c1c2sccc2ncn1)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,20.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512561,CN(c1c2sccc2ncn1)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,60.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512562,CN(c1c2sccc2ncn1)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,20.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512563,CN(c1c2sccc2ncn1)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,45.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512564,CN(c1c2sccc2ncn1)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,60.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512565,CN(c1c2sccc2ncn1)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,20.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512566,CN(c1c2sccc2ncn1)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,45.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512567,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,322.08804,[M-H]-,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512568,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,322.08804,[M-H]-,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512569,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,322.08804,[M-H]-,60.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512570,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,322.08804,[M-H]-,30.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512571,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,322.08804,[M-H]-,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512572,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,322.08804,[M-H]-,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512573,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,322.08804,[M-H]-,30.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512574,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,322.08804,[M-H]-,60.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512575,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,358.06471,[M+Cl]-,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512576,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,358.06471,[M+Cl]-,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512577,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,358.06471,[M+Cl]-,60.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512578,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,358.06471,[M+Cl]-,15.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512579,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,358.06471,[M+Cl]-,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512580,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,368.09352,[M+FA]-,15.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512581,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,368.09352,[M+FA]-,15.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512582,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,368.09352,[M+FA]-,60.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512583,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,20.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512584,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,20.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512585,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,45.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512586,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,60.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512587,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,20.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512588,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,60.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512589,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,45.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512590,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1,324.10259,[M+H]+,20.0,test,CN(c1ncnc2ccsc12)C1CN(c2nccnc2C#N)C1
512591,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,324.10259,[M+H]+,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512592,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,324.10259,[M+H]+,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512593,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,324.10259,[M+H]+,60.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512594,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,324.10259,[M+H]+,15.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512595,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,324.10259,[M+H]+,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512596,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,324.10259,[M+H]+,60.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512597,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,324.10259,[M+H]+,15.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512598,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1,324.10259,[M+H]+,20.0,test,c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1
512599,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,425.95872,[M-H]-,20.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512600,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,425.95872,[M-H]-,20.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512601,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,425.95872,[M-H]-,60.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512602,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,425.95872,[M-H]-,15.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512603,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,425.95872,[M-H]-,20.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512604,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,427.97327,[M+H]+,20.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512605,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,427.97327,[M+H]+,20.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512606,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,427.97327,[M+H]+,60.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512607,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,427.97327,[M+H]+,15.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512608,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,427.97327,[M+H]+,20.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512609,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,427.97327,[M+H]+,60.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512610,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,427.97327,[M+H]+,15.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512611,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,427.97327,[M+H]+,20.0,test,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1
512612,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1,344.05053,[M+H]+,20.0,test,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1
512613,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1,344.05053,[M+H]+,20.0,test,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1
512614,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1,344.05053,[M+H]+,45.0,test,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1
512615,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1,344.05053,[M+H]+,60.0,test,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1
512616,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1,344.05053,[M+H]+,20.0,test,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1
512617,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1,344.05053,[M+H]+,45.0,test,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1
512618,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1,344.05053,[M+H]+,60.0,test,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1
512619,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1,344.05053,[M+H]+,20.0,test,Brc1ccc2ncnc(N3CC(Cn4ccnc4)C3)c2c1
512620,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1,344.05053,[M+H]+,20.0,test,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1
512621,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1,344.05053,[M+H]+,20.0,test,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1
512622,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1,344.05053,[M+H]+,45.0,test,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1
512623,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1,344.05053,[M+H]+,60.0,test,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1
512624,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1,344.05053,[M+H]+,20.0,test,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1
512625,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1,344.05053,[M+H]+,45.0,test,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1
512626,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1,344.05053,[M+H]+,60.0,test,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1
512627,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1,344.05053,[M+H]+,20.0,test,Cc1cnn(-c2cc(NCc3ccc(Br)cc3)ncn2)c1
512628,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl,309.08006,[M+H]+,20.0,test,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl
512629,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl,309.08006,[M+H]+,20.0,test,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl
512630,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl,309.08006,[M+H]+,60.0,test,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl
512631,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl,309.08006,[M+H]+,30.0,test,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl
512632,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl,309.08006,[M+H]+,20.0,test,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl
512633,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl,309.08006,[M+H]+,60.0,test,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl
512634,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl,309.08006,[M+H]+,20.0,test,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl
512635,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl,309.08006,[M+H]+,30.0,test,CCOc1ncccc1CNC(=O)c1cc(F)ccc1Cl
512636,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl,401.04811,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl
512637,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl,401.04811,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl
512638,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl,401.04811,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl
512639,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl,401.04811,[M+H]+,30.0,test,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl
512640,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl,401.04811,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1Cl
512641,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,302.07018,[M-H]-,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512642,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,302.07018,[M-H]-,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512643,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,302.07018,[M-H]-,60.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512644,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,302.07018,[M-H]-,30.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512645,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,302.07018,[M-H]-,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512646,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,348.07566,[M+FA]-,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512647,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,348.07566,[M+FA]-,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512648,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,348.07566,[M+FA]-,60.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512649,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,348.07566,[M+FA]-,15.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512650,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,348.07566,[M+FA]-,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512651,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,304.08473,[M+H]+,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512652,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,304.08473,[M+H]+,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512653,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,304.08473,[M+H]+,60.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512654,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,304.08473,[M+H]+,30.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512655,COc1c(Cl)cc(CNc2n[nH]c(-c3ccco3)c2)cc1,304.08473,[M+H]+,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512656,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,302.07018,[M-H]-,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512657,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,302.07018,[M-H]-,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512658,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,302.07018,[M-H]-,60.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512659,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,302.07018,[M-H]-,15.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512660,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,302.07018,[M-H]-,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512661,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,302.07018,[M-H]-,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512662,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,302.07018,[M-H]-,15.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512663,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,302.07018,[M-H]-,60.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512664,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,338.04685,[M+Cl]-,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512665,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,338.04685,[M+Cl]-,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512666,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,338.04685,[M+Cl]-,60.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512667,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,338.04685,[M+Cl]-,15.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512668,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,338.04685,[M+Cl]-,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512669,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,302.07018,[M-H]-,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512670,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,302.07018,[M-H]-,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512671,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,302.07018,[M-H]-,30.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512672,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,302.07018,[M-H]-,60.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512673,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,302.07018,[M-H]-,15.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512674,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,302.07018,[M-H]-,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512675,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,302.07018,[M-H]-,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512676,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,302.07018,[M-H]-,60.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512677,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,338.04685,[M+Cl]-,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512678,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,338.04685,[M+Cl]-,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512679,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,338.04685,[M+Cl]-,60.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512680,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,338.04685,[M+Cl]-,15.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512681,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,338.04685,[M+Cl]-,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512682,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,302.07018,[M-H]-,20.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512683,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,302.07018,[M-H]-,20.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512684,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,302.07018,[M-H]-,60.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512685,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,302.07018,[M-H]-,15.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512686,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,302.07018,[M-H]-,20.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512687,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,302.07018,[M-H]-,15.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512688,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,302.07018,[M-H]-,20.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512689,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,302.07018,[M-H]-,60.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512690,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl,304.08473,[M+H]+,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512691,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl,304.08473,[M+H]+,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512692,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl,304.08473,[M+H]+,60.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512693,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl,304.08473,[M+H]+,30.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512694,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl,304.08473,[M+H]+,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512695,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl,304.08473,[M+H]+,30.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512696,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl,304.08473,[M+H]+,60.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512697,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl,304.08473,[M+H]+,20.0,test,COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl
512698,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,304.08473,[M+H]+,20.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512699,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,304.08473,[M+H]+,20.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512700,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,304.08473,[M+H]+,60.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512701,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,304.08473,[M+H]+,15.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512702,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,304.08473,[M+H]+,20.0,test,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
512703,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1,304.08473,[M+H]+,20.0,test,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1
512704,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1,304.08473,[M+H]+,20.0,test,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1
512705,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1,304.08473,[M+H]+,60.0,test,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1
512706,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1,304.08473,[M+H]+,15.0,test,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1
512707,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1,304.08473,[M+H]+,20.0,test,COC(CNc1ncnc2ccc(Cl)cc12)c1ccco1
512708,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1,304.08473,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1
512709,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1,304.08473,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1
512710,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1,304.08473,[M+H]+,60.0,test,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1
512711,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1,304.08473,[M+H]+,30.0,test,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1
512712,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1,304.08473,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1
512713,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1,304.08473,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1
512714,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1,304.08473,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1
512715,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1,304.08473,[M+H]+,45.0,test,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1
512716,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1,304.08473,[M+H]+,60.0,test,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1
512717,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1,304.08473,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1
512718,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,304.08473,[M+H]+,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512719,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,304.08473,[M+H]+,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512720,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,304.08473,[M+H]+,60.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512721,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,304.08473,[M+H]+,15.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512722,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1,304.08473,[M+H]+,20.0,test,Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1
512723,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1,304.08473,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1
512724,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1,304.08473,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1
512725,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1,304.08473,[M+H]+,60.0,test,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1
512726,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1,304.08473,[M+H]+,15.0,test,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1
512727,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1,304.08473,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1
512728,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,304.08473,[M+H]+,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512729,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,304.08473,[M+H]+,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512730,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,304.08473,[M+H]+,60.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512731,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,304.08473,[M+H]+,15.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512732,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,304.08473,[M+H]+,20.0,test,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
512733,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl,368.02887,[M+H]+,20.0,test,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl
512734,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl,368.02887,[M+H]+,20.0,test,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl
512735,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl,368.02887,[M+H]+,60.0,test,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl
512736,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl,368.02887,[M+H]+,15.0,test,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl
512737,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl,368.02887,[M+H]+,20.0,test,O=S(=O)(NCC(c1ccsc1)n1cccn1)c1ccccc1Cl
512738,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1,338.02593,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1
512739,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1,338.02593,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1
512740,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1,338.02593,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1
512741,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1,338.02593,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1
512742,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1,338.02593,[M-H]-,45.0,test,COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1
512743,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,338.02593,[M-H]-,20.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512744,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,338.02593,[M-H]-,20.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512745,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,338.02593,[M-H]-,60.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512746,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,338.02593,[M-H]-,30.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512747,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,338.02593,[M-H]-,20.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512748,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,340.04048,[M+H]+,20.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512749,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,340.04048,[M+H]+,20.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512750,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,340.04048,[M+H]+,60.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512751,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,340.04048,[M+H]+,15.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512752,O=C(O)C1CCCN1S(=O)(=O)c1c2c(Cl)cccc2ccc1,340.04048,[M+H]+,20.0,test,O=C(O)C1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
512753,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C,338.02593,[M-H]-,20.0,test,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C
512754,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C,338.02593,[M-H]-,20.0,test,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C
512755,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C,338.02593,[M-H]-,60.0,test,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C
512756,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C,338.02593,[M-H]-,15.0,test,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C
512757,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C,338.02593,[M-H]-,20.0,test,Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1C
512758,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1,338.02593,[M-H]-,30.0,test,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
512759,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1,338.02593,[M-H]-,30.0,test,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
512760,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1,338.02593,[M-H]-,20.0,test,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
512761,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1,338.02593,[M-H]-,60.0,test,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
512762,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1,338.02593,[M-H]-,30.0,test,O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
512763,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,303.10629,[M-H]-,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512764,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,303.10629,[M-H]-,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512765,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,303.10629,[M-H]-,60.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512766,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,303.10629,[M-H]-,15.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512767,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,303.10629,[M-H]-,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512768,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,349.11177,[M+FA]-,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512769,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,349.11177,[M+FA]-,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512770,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,349.11177,[M+FA]-,60.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512771,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,349.11177,[M+FA]-,15.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512772,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,349.11177,[M+FA]-,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512773,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,303.10629,[M-H]-,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512774,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,303.10629,[M-H]-,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512775,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,303.10629,[M-H]-,45.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512776,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,303.10629,[M-H]-,60.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512777,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,303.10629,[M-H]-,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512778,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,303.10629,[M-H]-,60.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512779,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,303.10629,[M-H]-,45.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512780,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,303.10629,[M-H]-,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512781,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,339.08297,[M+Cl]-,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512782,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,339.08297,[M+Cl]-,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512783,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,339.08297,[M+Cl]-,60.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512784,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1,305.12084,[M+H]+,20.0,test,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1
512785,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1,305.12084,[M+H]+,20.0,test,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1
512786,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1,305.12084,[M+H]+,60.0,test,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1
512787,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1,305.12084,[M+H]+,20.0,test,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1
512788,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1,305.12084,[M+H]+,60.0,test,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1
512789,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1,305.12084,[M+H]+,20.0,test,NC(=O)C1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1
512790,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,305.12084,[M+H]+,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512791,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,305.12084,[M+H]+,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512792,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,305.12084,[M+H]+,60.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512793,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,305.12084,[M+H]+,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512794,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,305.12084,[M+H]+,60.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512795,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1,305.12084,[M+H]+,20.0,test,O=C(Nc1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1
512796,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,305.12084,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512797,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,305.12084,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512798,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,305.12084,[M+H]+,30.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512799,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,305.12084,[M+H]+,60.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512800,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,305.12084,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512801,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,305.12084,[M+H]+,45.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512802,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,305.12084,[M+H]+,60.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512803,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1,305.12084,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1
512804,Fc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3)CC2)cc1,327.12273,[M+H]+,20.0,test,Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
512805,Fc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3)CC2)cc1,327.12273,[M+H]+,20.0,test,Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
512806,Fc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3)CC2)cc1,327.12273,[M+H]+,60.0,test,Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
512807,Fc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3)CC2)cc1,327.12273,[M+H]+,30.0,test,Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
512808,Fc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3)CC2)cc1,327.12273,[M+H]+,20.0,test,Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
512809,Fc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3)CC2)cc1,327.12273,[M+H]+,60.0,test,Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
512810,Fc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3)CC2)cc1,327.12273,[M+H]+,30.0,test,Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
512811,Fc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3)CC2)cc1,327.12273,[M+H]+,20.0,test,Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
512812,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,327.12273,[M+H]+,20.0,test,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
512813,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,327.12273,[M+H]+,20.0,test,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
512814,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,327.12273,[M+H]+,45.0,test,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
512815,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,327.12273,[M+H]+,60.0,test,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
512816,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,327.12273,[M+H]+,20.0,test,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
512817,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,327.12273,[M+H]+,60.0,test,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
512818,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,327.12273,[M+H]+,45.0,test,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
512819,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,327.12273,[M+H]+,20.0,test,Fc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
512820,Fc1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)C2)nc1,343.11765,[M+H]+,20.0,test,Fc1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)C2)nc1
512821,Fc1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)C2)nc1,343.11765,[M+H]+,60.0,test,Fc1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)C2)nc1
512822,Fc1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)C2)nc1,343.11765,[M+H]+,20.0,test,Fc1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)C2)nc1
512823,Fc1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)C2)nc1,343.11765,[M+H]+,20.0,test,Fc1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)C2)nc1
512824,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,412.97636,[M-H]-,20.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512825,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,412.97636,[M-H]-,20.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512826,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,412.97636,[M-H]-,60.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512827,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,412.97636,[M-H]-,30.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512828,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,412.97636,[M-H]-,20.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512829,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,412.97636,[M-H]-,60.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512830,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,412.97636,[M-H]-,30.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512831,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,412.97636,[M-H]-,20.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512832,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,414.99092,[M+H]+,20.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512833,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,414.99092,[M+H]+,20.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512834,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,414.99092,[M+H]+,60.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512835,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,414.99092,[M+H]+,30.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512836,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1,414.99092,[M+H]+,20.0,test,Cc1cccc(NS(=O)(=O)c2cccs2)c1NS(=O)(=O)c1cccs1
512837,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,362.04221,[M-H]-,20.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512838,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,362.04221,[M-H]-,20.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512839,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,362.04221,[M-H]-,45.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512840,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,362.04221,[M-H]-,60.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512841,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,362.04221,[M-H]-,20.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512842,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,362.04221,[M-H]-,60.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512843,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,362.04221,[M-H]-,45.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512844,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,362.04221,[M-H]-,20.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512845,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,364.05676,[M+H]+,20.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512846,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,364.05676,[M+H]+,20.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512847,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,364.05676,[M+H]+,60.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512848,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,364.05676,[M+H]+,30.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512849,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,364.05676,[M+H]+,20.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512850,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,364.05676,[M+H]+,45.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512851,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,364.05676,[M+H]+,20.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512852,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1,364.05676,[M+H]+,60.0,test,Cc1nc(-c2cnc(-c3ccc(Br)cc3F)[nH]2)n(C(C)C)n1
512853,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,333.02441,[M-H]-,20.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512854,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,333.02441,[M-H]-,30.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512855,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,333.02441,[M-H]-,20.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512856,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1,333.02441,[M-H]-,20.0,test,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1
512857,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1,333.02441,[M-H]-,20.0,test,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1
512858,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1,333.02441,[M-H]-,60.0,test,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1
512859,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1,333.02441,[M-H]-,30.0,test,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1
512860,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1,333.02441,[M-H]-,20.0,test,CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1
512861,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,335.03897,[M+H]+,20.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512862,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,335.03897,[M+H]+,20.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512863,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,335.03897,[M+H]+,60.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512864,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,335.03897,[M+H]+,30.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512865,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,335.03897,[M+H]+,20.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512866,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,335.03897,[M+H]+,60.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512867,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,335.03897,[M+H]+,30.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512868,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1,335.03897,[M+H]+,20.0,test,Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1
512869,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,335.03897,[M+H]+,20.0,test,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1
512870,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,335.03897,[M+H]+,20.0,test,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1
512871,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,335.03897,[M+H]+,45.0,test,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1
512872,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,335.03897,[M+H]+,60.0,test,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1
512873,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,335.03897,[M+H]+,20.0,test,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1
512874,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,335.03897,[M+H]+,60.0,test,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1
512875,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,335.03897,[M+H]+,45.0,test,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1
512876,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,335.03897,[M+H]+,20.0,test,COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1
512877,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,305.06984,[M-H]-,20.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512878,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,305.06984,[M-H]-,20.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512879,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,305.06984,[M-H]-,60.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512880,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,305.06984,[M-H]-,30.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512881,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,305.06984,[M-H]-,20.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512882,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,305.06984,[M-H]-,20.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512883,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,305.06984,[M-H]-,30.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512884,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,305.06984,[M-H]-,60.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512885,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,305.06984,[M-H]-,20.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512886,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,305.06984,[M-H]-,20.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512887,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,305.06984,[M-H]-,60.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512888,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,305.06984,[M-H]-,30.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512889,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,305.06984,[M-H]-,20.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512890,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,305.06984,[M-H]-,30.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512891,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,305.06984,[M-H]-,20.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512892,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,305.06984,[M-H]-,60.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512893,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,307.0844,[M+H]+,20.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512894,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,307.0844,[M+H]+,20.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512895,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,307.0844,[M+H]+,60.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512896,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,307.0844,[M+H]+,15.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512897,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,307.0844,[M+H]+,20.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512898,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,307.0844,[M+H]+,60.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512899,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O,307.0844,[M+H]+,20.0,test,COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
512900,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1,307.0844,[M+H]+,20.0,test,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1
512901,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1,307.0844,[M+H]+,20.0,test,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1
512902,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1,307.0844,[M+H]+,60.0,test,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1
512903,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1,307.0844,[M+H]+,15.0,test,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1
512904,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1,307.0844,[M+H]+,20.0,test,O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1
512905,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,307.0844,[M+H]+,20.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512906,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,307.0844,[M+H]+,20.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512907,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,307.0844,[M+H]+,60.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512908,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,307.0844,[M+H]+,15.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512909,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1,307.0844,[M+H]+,20.0,test,COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1
512910,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,333.07599,[M-H]-,20.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512911,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,333.07599,[M-H]-,20.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512912,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,333.07599,[M-H]-,60.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512913,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,333.07599,[M-H]-,15.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512914,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,333.07599,[M-H]-,20.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512915,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,335.09054,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512916,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,335.09054,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512917,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,335.09054,[M+H]+,60.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512918,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,335.09054,[M+H]+,15.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512919,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1,335.09054,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
512920,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,351.09979,[M+FA]-,15.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512921,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,351.09979,[M+FA]-,15.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512922,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,351.09979,[M+FA]-,20.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512923,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,351.09979,[M+FA]-,60.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512924,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,351.09979,[M+FA]-,15.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512925,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,307.10886,[M+H]+,20.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512926,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,307.10886,[M+H]+,20.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512927,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,307.10886,[M+H]+,75.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512928,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,307.10886,[M+H]+,60.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512929,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21,307.10886,[M+H]+,20.0,test,Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
512930,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,393.06092,[M-H]-,20.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512931,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,393.06092,[M-H]-,20.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512932,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,393.06092,[M-H]-,60.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512933,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,393.06092,[M-H]-,20.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512934,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,393.06092,[M-H]-,45.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512935,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,395.07547,[M+H]+,20.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512936,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,395.07547,[M+H]+,20.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512937,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,395.07547,[M+H]+,60.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512938,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,395.07547,[M+H]+,20.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512939,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,395.07547,[M+H]+,45.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512940,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,395.07547,[M+H]+,60.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512941,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,395.07547,[M+H]+,20.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512942,CNc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F)s1,395.07547,[M+H]+,45.0,test,CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1
512943,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,345.11169,[M-H]-,20.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512944,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,345.11169,[M-H]-,20.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512945,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,345.11169,[M-H]-,60.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512946,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,345.11169,[M-H]-,30.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512947,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,345.11169,[M-H]-,20.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512948,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,347.12624,[M+H]+,20.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512949,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,347.12624,[M+H]+,20.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512950,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,347.12624,[M+H]+,60.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512951,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,347.12624,[M+H]+,30.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512952,Cn1c(=O)c2c(ncn2CCC(=O)Nc2c(F)cncc2)n(C)c1=O,347.12624,[M+H]+,20.0,test,Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccncc2F)n(C)c1=O
512953,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,296.1153,[M-H]-,20.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512954,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,296.1153,[M-H]-,20.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512955,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,296.1153,[M-H]-,60.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512956,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,296.1153,[M-H]-,15.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512957,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,296.1153,[M-H]-,20.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512958,CCOc1c(NC(=O)c2c3nc(C)ccn3nc2)cccn1,298.12985,[M+H]+,20.0,test,CCOc1ncccc1NC(=O)c1cnn2ccc(C)nc12
512959,CCOc1c(NC(=O)c2c3nc(C)ccn3nc2)cccn1,298.12985,[M+H]+,20.0,test,CCOc1ncccc1NC(=O)c1cnn2ccc(C)nc12
512960,CCOc1c(NC(=O)c2c3nc(C)ccn3nc2)cccn1,298.12985,[M+H]+,60.0,test,CCOc1ncccc1NC(=O)c1cnn2ccc(C)nc12
512961,CCOc1c(NC(=O)c2c3nc(C)ccn3nc2)cccn1,298.12985,[M+H]+,30.0,test,CCOc1ncccc1NC(=O)c1cnn2ccc(C)nc12
512962,CCOc1c(NC(=O)c2c3nc(C)ccn3nc2)cccn1,298.12985,[M+H]+,20.0,test,CCOc1ncccc1NC(=O)c1cnn2ccc(C)nc12
512963,CCOc1c(NC(=O)c2c3nc(C)ccn3nc2)cccn1,298.12985,[M+H]+,60.0,test,CCOc1ncccc1NC(=O)c1cnn2ccc(C)nc12
512964,CCOc1c(NC(=O)c2c3nc(C)ccn3nc2)cccn1,298.12985,[M+H]+,30.0,test,CCOc1ncccc1NC(=O)c1cnn2ccc(C)nc12
512965,CCOc1c(NC(=O)c2c3nc(C)ccn3nc2)cccn1,298.12985,[M+H]+,20.0,test,CCOc1ncccc1NC(=O)c1cnn2ccc(C)nc12
512966,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,298.12985,[M+H]+,20.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512967,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,298.12985,[M+H]+,20.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512968,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,298.12985,[M+H]+,30.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512969,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,298.12985,[M+H]+,60.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512970,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,298.12985,[M+H]+,15.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512971,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,298.12985,[M+H]+,20.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512972,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,298.12985,[M+H]+,60.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512973,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1,298.12985,[M+H]+,20.0,test,CC1(C)CC(c2nc(-c3ncn[nH]3)no2)c2ccccc2O1
512974,COc1ncc(-c2noc(C3CCc4c(cn[nH]4)C3)n2)cc1,298.12985,[M+H]+,20.0,test,COc1ccc(-c2noc(C3CCc4[nH]ncc4C3)n2)cn1
512975,COc1ncc(-c2noc(C3CCc4c(cn[nH]4)C3)n2)cc1,298.12985,[M+H]+,20.0,test,COc1ccc(-c2noc(C3CCc4[nH]ncc4C3)n2)cn1
512976,COc1ncc(-c2noc(C3CCc4c(cn[nH]4)C3)n2)cc1,298.12985,[M+H]+,60.0,test,COc1ccc(-c2noc(C3CCc4[nH]ncc4C3)n2)cn1
512977,COc1ncc(-c2noc(C3CCc4c(cn[nH]4)C3)n2)cc1,298.12985,[M+H]+,30.0,test,COc1ccc(-c2noc(C3CCc4[nH]ncc4C3)n2)cn1
512978,COc1ncc(-c2noc(C3CCc4c(cn[nH]4)C3)n2)cc1,298.12985,[M+H]+,20.0,test,COc1ccc(-c2noc(C3CCc4[nH]ncc4C3)n2)cn1
512979,COc1ncc(-c2noc(C3CCc4c(cn[nH]4)C3)n2)cc1,298.12985,[M+H]+,60.0,test,COc1ccc(-c2noc(C3CCc4[nH]ncc4C3)n2)cn1
512980,COc1ncc(-c2noc(C3CCc4c(cn[nH]4)C3)n2)cc1,298.12985,[M+H]+,30.0,test,COc1ccc(-c2noc(C3CCc4[nH]ncc4C3)n2)cn1
512981,COc1ncc(-c2noc(C3CCc4c(cn[nH]4)C3)n2)cc1,298.12985,[M+H]+,20.0,test,COc1ccc(-c2noc(C3CCc4[nH]ncc4C3)n2)cn1
512982,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,312.11021,[M-H]-,20.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512983,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,312.11021,[M-H]-,20.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512984,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,312.11021,[M-H]-,60.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512985,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,312.11021,[M-H]-,20.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512986,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,312.11021,[M-H]-,45.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512987,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,312.11021,[M-H]-,60.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512988,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,312.11021,[M-H]-,20.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512989,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,314.12476,[M+H]+,20.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512990,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,314.12476,[M+H]+,20.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512991,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,314.12476,[M+H]+,60.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512992,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,314.12476,[M+H]+,30.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512993,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,314.12476,[M+H]+,20.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512994,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,314.12476,[M+H]+,60.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512995,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,314.12476,[M+H]+,30.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512996,O=C(c1ncc2[nH]cnc(=O)c2c1)N1CCN(C2CC2)C(=O)C1,314.12476,[M+H]+,20.0,test,O=C(c1cc2c(=O)nc[nH]c2cn1)N1CCN(C2CC2)C(=O)C1
512997,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,312.11021,[M-H]-,20.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
512998,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,312.11021,[M-H]-,20.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
512999,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,312.11021,[M-H]-,60.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513000,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,312.11021,[M-H]-,15.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513001,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,312.11021,[M-H]-,20.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513002,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,312.11021,[M-H]-,15.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513003,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,312.11021,[M-H]-,20.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513004,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,312.11021,[M-H]-,60.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513005,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,312.11021,[M-H]-,20.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513006,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,312.11021,[M-H]-,20.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513007,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,312.11021,[M-H]-,60.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513008,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,312.11021,[M-H]-,15.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513009,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,312.11021,[M-H]-,20.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513010,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,312.11021,[M-H]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513011,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,312.11021,[M-H]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513012,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,312.11021,[M-H]-,60.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513013,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,312.11021,[M-H]-,30.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513014,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,312.11021,[M-H]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513015,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,312.11021,[M-H]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513016,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,312.11021,[M-H]-,30.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513017,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,312.11021,[M-H]-,60.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513018,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,312.11021,[M-H]-,20.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513019,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,312.11021,[M-H]-,20.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513020,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,312.11021,[M-H]-,60.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513021,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,312.11021,[M-H]-,30.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513022,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,312.11021,[M-H]-,20.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513023,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O,314.12476,[M+H]+,20.0,test,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O
513024,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O,314.12476,[M+H]+,20.0,test,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O
513025,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O,314.12476,[M+H]+,60.0,test,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O
513026,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O,314.12476,[M+H]+,30.0,test,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O
513027,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O,314.12476,[M+H]+,20.0,test,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O
513028,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O,314.12476,[M+H]+,30.0,test,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O
513029,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O,314.12476,[M+H]+,20.0,test,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O
513030,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O,314.12476,[M+H]+,60.0,test,CCC(C(=O)OC)n1cnc2c(nnn2-c2ccccc2)c1=O
513031,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,314.12476,[M+H]+,20.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513032,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,314.12476,[M+H]+,20.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513033,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,314.12476,[M+H]+,60.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513034,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,314.12476,[M+H]+,30.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513035,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,314.12476,[M+H]+,20.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513036,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,314.12476,[M+H]+,30.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513037,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,314.12476,[M+H]+,20.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513038,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21,314.12476,[M+H]+,60.0,test,CCCCn1c(=O)c(C(=O)c2nn[nH]n2)c(O)c2ccccc21
513039,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,314.12476,[M+H]+,30.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513040,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,314.12476,[M+H]+,30.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513041,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,314.12476,[M+H]+,20.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513042,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,314.12476,[M+H]+,60.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513043,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C,314.12476,[M+H]+,30.0,test,CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C
513044,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,314.12476,[M+H]+,20.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513045,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,314.12476,[M+H]+,20.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513046,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,314.12476,[M+H]+,60.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513047,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,314.12476,[M+H]+,30.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513048,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1,314.12476,[M+H]+,20.0,test,CCOC(=O)c1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1
513049,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,314.12476,[M+H]+,20.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513050,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,314.12476,[M+H]+,20.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513051,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,314.12476,[M+H]+,30.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513052,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,314.12476,[M+H]+,60.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513053,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,314.12476,[M+H]+,15.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513054,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,314.12476,[M+H]+,20.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513055,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,314.12476,[M+H]+,60.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513056,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21,314.12476,[M+H]+,20.0,test,CCn1nnc2c(=O)n(CC(=O)c3ccc(OC)cc3)cnc21
513057,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,312.09246,[M-H]-,20.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513058,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,312.09246,[M-H]-,20.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513059,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,312.09246,[M-H]-,60.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513060,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,312.09246,[M-H]-,20.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513061,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,312.09246,[M-H]-,45.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513062,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,312.09246,[M-H]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513063,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,312.09246,[M-H]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513064,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,312.09246,[M-H]-,60.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513065,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,312.09246,[M-H]-,30.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513066,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,312.09246,[M-H]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513067,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,312.09246,[M-H]-,60.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513068,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,312.09246,[M-H]-,30.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513069,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,312.09246,[M-H]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513070,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,348.06913,[M+Cl]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513071,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,348.06913,[M+Cl]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513072,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,348.06913,[M+Cl]-,60.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513073,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,348.06913,[M+Cl]-,15.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513074,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,348.06913,[M+Cl]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513075,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,358.09793,[M+FA]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513076,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,358.09793,[M+FA]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513077,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,358.09793,[M+FA]-,60.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513078,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,358.09793,[M+FA]-,15.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513079,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,358.09793,[M+FA]-,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513080,Cc1csc(Nc2ccc(NC(=O)c3nn(C)cc3)cc2)n1,314.10701,[M+H]+,20.0,test,Cc1csc(Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
513081,Cc1csc(Nc2ccc(NC(=O)c3nn(C)cc3)cc2)n1,314.10701,[M+H]+,20.0,test,Cc1csc(Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
513082,Cc1csc(Nc2ccc(NC(=O)c3nn(C)cc3)cc2)n1,314.10701,[M+H]+,60.0,test,Cc1csc(Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
513083,Cc1csc(Nc2ccc(NC(=O)c3nn(C)cc3)cc2)n1,314.10701,[M+H]+,30.0,test,Cc1csc(Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
513084,Cc1csc(Nc2ccc(NC(=O)c3nn(C)cc3)cc2)n1,314.10701,[M+H]+,20.0,test,Cc1csc(Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
513085,Cc1csc(Nc2ccc(NC(=O)c3nn(C)cc3)cc2)n1,314.10701,[M+H]+,60.0,test,Cc1csc(Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
513086,Cc1csc(Nc2ccc(NC(=O)c3nn(C)cc3)cc2)n1,314.10701,[M+H]+,30.0,test,Cc1csc(Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
513087,Cc1csc(Nc2ccc(NC(=O)c3nn(C)cc3)cc2)n1,314.10701,[M+H]+,20.0,test,Cc1csc(Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
513088,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,314.10701,[M+H]+,20.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513089,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,314.10701,[M+H]+,20.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513090,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,314.10701,[M+H]+,60.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513091,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,314.10701,[M+H]+,20.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513092,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,314.10701,[M+H]+,45.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513093,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,314.10701,[M+H]+,60.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513094,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,314.10701,[M+H]+,20.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513095,Cc1nc2c(CN(c3c4c(C)c(C)sc4ncn3)C2)c(=O)[nH]1,314.10701,[M+H]+,45.0,test,Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3sc(C)c(C)c13)C2
513096,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,314.10701,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513097,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,314.10701,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513098,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,314.10701,[M+H]+,60.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513099,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,314.10701,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513100,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,314.10701,[M+H]+,45.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513101,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,314.10701,[M+H]+,60.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513102,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,314.10701,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513103,Cc1nc(-c2cc(NC(=O)c3c(C)nc(C)s3)ccc2)n[nH]1,314.10701,[M+H]+,45.0,test,Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
513104,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,312.09246,[M-H]-,20.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513105,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,312.09246,[M-H]-,20.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513106,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,312.09246,[M-H]-,60.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513107,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,312.09246,[M-H]-,30.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513108,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,312.09246,[M-H]-,20.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513109,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,312.09246,[M-H]-,60.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513110,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,312.09246,[M-H]-,30.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513111,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,312.09246,[M-H]-,20.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513112,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,312.09246,[M-H]-,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513113,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,312.09246,[M-H]-,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513114,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,312.09246,[M-H]-,60.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513115,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,312.09246,[M-H]-,30.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513116,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,312.09246,[M-H]-,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513117,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,358.09793,[M+FA]-,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513118,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,358.09793,[M+FA]-,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513119,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,358.09793,[M+FA]-,60.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513120,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,358.09793,[M+FA]-,15.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513121,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,358.09793,[M+FA]-,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513122,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,358.09793,[M+FA]-,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513123,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,358.09793,[M+FA]-,60.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513124,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,358.09793,[M+FA]-,15.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513125,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,312.09246,[M-H]-,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513126,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,312.09246,[M-H]-,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513127,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,312.09246,[M-H]-,60.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513128,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,312.09246,[M-H]-,30.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513129,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,312.09246,[M-H]-,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513130,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,312.09246,[M-H]-,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513131,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,312.09246,[M-H]-,30.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513132,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,312.09246,[M-H]-,60.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513133,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,348.06913,[M+Cl]-,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513134,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,358.09793,[M+FA]-,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513135,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,358.09793,[M+FA]-,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513136,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,358.09793,[M+FA]-,60.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513137,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,358.09793,[M+FA]-,15.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513138,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,358.09793,[M+FA]-,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513139,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,312.09246,[M-H]-,20.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513140,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,312.09246,[M-H]-,20.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513141,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,312.09246,[M-H]-,60.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513142,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,312.09246,[M-H]-,30.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513143,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,312.09246,[M-H]-,20.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513144,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,314.10701,[M+H]+,20.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513145,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,314.10701,[M+H]+,20.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513146,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,314.10701,[M+H]+,60.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513147,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,314.10701,[M+H]+,15.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513148,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1,314.10701,[M+H]+,20.0,test,C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1
513149,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,314.10701,[M+H]+,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513150,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,314.10701,[M+H]+,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513151,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,314.10701,[M+H]+,60.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513152,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,314.10701,[M+H]+,30.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513153,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,314.10701,[M+H]+,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513154,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,314.10701,[M+H]+,30.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513155,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,314.10701,[M+H]+,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513156,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,314.10701,[M+H]+,60.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513157,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,336.08895,[M+Na]+,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513158,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,336.08895,[M+Na]+,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513159,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,336.08895,[M+Na]+,60.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513160,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,336.08895,[M+Na]+,30.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513161,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1,336.08895,[M+Na]+,20.0,test,O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1
513162,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1,314.10701,[M+H]+,20.0,test,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1
513163,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1,314.10701,[M+H]+,20.0,test,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1
513164,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1,314.10701,[M+H]+,45.0,test,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1
513165,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1,314.10701,[M+H]+,60.0,test,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1
513166,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1,314.10701,[M+H]+,20.0,test,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1
513167,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1,314.10701,[M+H]+,45.0,test,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1
513168,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1,314.10701,[M+H]+,60.0,test,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1
513169,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1,314.10701,[M+H]+,20.0,test,O=C(c1cccs1)N1CCN(c2nnc3ccccn23)CC1
513170,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1,314.10701,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1
513171,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1,314.10701,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1
513172,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1,314.10701,[M+H]+,45.0,test,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1
513173,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1,314.10701,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1
513174,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1,314.10701,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1
513175,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1,314.10701,[M+H]+,45.0,test,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1
513176,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1,314.10701,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1
513177,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1,314.10701,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1
513178,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,314.10701,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513179,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,314.10701,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513180,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,314.10701,[M+H]+,60.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513181,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,314.10701,[M+H]+,30.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513182,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,314.10701,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513183,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,314.10701,[M+H]+,60.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513184,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,314.10701,[M+H]+,30.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513185,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1,314.10701,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)ncn1
513186,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C,314.10701,[M+H]+,20.0,test,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C
513187,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C,314.10701,[M+H]+,20.0,test,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C
513188,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C,314.10701,[M+H]+,45.0,test,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C
513189,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C,314.10701,[M+H]+,60.0,test,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C
513190,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C,314.10701,[M+H]+,20.0,test,CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C
513191,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,314.10701,[M+H]+,20.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513192,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,314.10701,[M+H]+,20.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513193,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,314.10701,[M+H]+,60.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513194,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,314.10701,[M+H]+,30.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513195,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,314.10701,[M+H]+,20.0,test,Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
513196,Cc1nc2cc(C)nn2c(NCc2cn(-c3cccs3)nn2)c1,324.10369,[M-H]-,30.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513197,Cc1nc2cc(C)nn2c(NCc2cn(-c3cccs3)nn2)c1,326.11824,[M+H]+,20.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513198,Cc1nc2cc(C)nn2c(NCc2cn(-c3cccs3)nn2)c1,326.11824,[M+H]+,20.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513199,Cc1nc2cc(C)nn2c(NCc2cn(-c3cccs3)nn2)c1,326.11824,[M+H]+,60.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513200,Cc1nc2cc(C)nn2c(NCc2cn(-c3cccs3)nn2)c1,326.11824,[M+H]+,15.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513201,Cc1nc2cc(C)nn2c(NCc2cn(-c3cccs3)nn2)c1,326.11824,[M+H]+,20.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513202,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,324.10369,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513203,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,324.10369,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513204,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,324.10369,[M-H]-,45.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513205,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,324.10369,[M-H]-,60.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513206,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,324.10369,[M-H]-,20.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513207,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1,326.11824,[M+H]+,20.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513208,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1,326.11824,[M+H]+,20.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513209,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1,326.11824,[M+H]+,60.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513210,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1,326.11824,[M+H]+,30.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513211,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1,326.11824,[M+H]+,20.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513212,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1,326.11824,[M+H]+,20.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513213,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1,326.11824,[M+H]+,30.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513214,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1,326.11824,[M+H]+,60.0,test,Cc1cc(NCc2cn(-c3cccs3)nn2)n2nc(C)cc2n1
513215,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,326.11824,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513216,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,326.11824,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513217,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,326.11824,[M+H]+,60.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513218,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,326.11824,[M+H]+,15.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513219,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,326.11824,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513220,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,326.11824,[M+H]+,60.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513221,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1,326.11824,[M+H]+,20.0,test,CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)n[nH]1
513222,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,376.04146,[M-H]-,30.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513223,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,376.04146,[M-H]-,30.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513224,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,376.04146,[M-H]-,20.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513225,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,376.04146,[M-H]-,60.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513226,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,376.04146,[M-H]-,30.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513227,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,422.04694,[M+FA]-,20.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513228,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,422.04694,[M+FA]-,20.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513229,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,422.04694,[M+FA]-,60.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513230,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,422.04694,[M+FA]-,15.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513231,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,422.04694,[M+FA]-,20.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513232,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,378.05601,[M+H]+,20.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513233,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,378.05601,[M+H]+,20.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513234,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,378.05601,[M+H]+,60.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513235,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,378.05601,[M+H]+,15.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513236,CN1CCC(NC(=O)Nc2cn(-c3ccccc3Br)nc2)C1=O,378.05601,[M+H]+,20.0,test,CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O
513237,Clc1cccc(CNCCCOc2ccccn2)c1Cl,355.06217,[M+FA]-,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513238,Clc1cccc(CNCCCOc2ccccn2)c1Cl,355.06217,[M+FA]-,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513239,Clc1cccc(CNCCCOc2ccccn2)c1Cl,355.06217,[M+FA]-,60.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513240,Clc1cccc(CNCCCOc2ccccn2)c1Cl,355.06217,[M+FA]-,30.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513241,Clc1cccc(CNCCCOc2ccccn2)c1Cl,355.06217,[M+FA]-,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513242,Clc1cccc(CNCCCOc2ccccn2)c1Cl,355.06217,[M+FA]-,60.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513243,Clc1cccc(CNCCCOc2ccccn2)c1Cl,355.06217,[M+FA]-,30.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513244,Clc1cccc(CNCCCOc2ccccn2)c1Cl,355.06217,[M+FA]-,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513245,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513246,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513247,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,60.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513248,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,30.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513249,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513250,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1,311.07124,[M+H]+,20.0,test,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
513251,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1,311.07124,[M+H]+,20.0,test,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
513252,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1,311.07124,[M+H]+,60.0,test,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
513253,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1,311.07124,[M+H]+,15.0,test,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
513254,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1,311.07124,[M+H]+,20.0,test,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
513255,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1,311.07124,[M+H]+,60.0,test,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
513256,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1,311.07124,[M+H]+,20.0,test,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
513257,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1,311.07124,[M+H]+,15.0,test,CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
513258,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513259,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513260,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,60.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513261,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,15.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513262,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513263,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,60.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513264,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,15.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513265,Clc1cccc(CNCCCOc2ccccn2)c1Cl,311.07124,[M+H]+,20.0,test,Clc1cccc(CNCCCOc2ccccn2)c1Cl
513266,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1,311.07124,[M+H]+,20.0,test,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1
513267,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1,311.07124,[M+H]+,20.0,test,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1
513268,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1,311.07124,[M+H]+,30.0,test,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1
513269,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1,311.07124,[M+H]+,60.0,test,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1
513270,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1,311.07124,[M+H]+,15.0,test,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1
513271,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1,311.07124,[M+H]+,20.0,test,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1
513272,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1,311.07124,[M+H]+,60.0,test,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1
513273,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1,311.07124,[M+H]+,20.0,test,CCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1
513274,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1,311.07124,[M+H]+,20.0,test,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1
513275,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1,311.07124,[M+H]+,20.0,test,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1
513276,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1,311.07124,[M+H]+,60.0,test,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1
513277,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1,311.07124,[M+H]+,15.0,test,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1
513278,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1,311.07124,[M+H]+,20.0,test,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1
513279,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1,311.07124,[M+H]+,15.0,test,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1
513280,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1,311.07124,[M+H]+,60.0,test,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1
513281,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1,311.07124,[M+H]+,20.0,test,CC(CNCc1cccc(Cl)c1Cl)Oc1ccccn1
513282,CN1CCN(c2ncc(-c3c(Cl)c(Cl)cc(Cl)c3)c(N)n2)CC1,372.0544,[M+H]+,20.0,test,CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1
513283,CN1CCN(c2ncc(-c3c(Cl)c(Cl)cc(Cl)c3)c(N)n2)CC1,372.0544,[M+H]+,20.0,test,CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1
513284,CN1CCN(c2ncc(-c3c(Cl)c(Cl)cc(Cl)c3)c(N)n2)CC1,372.0544,[M+H]+,60.0,test,CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1
513285,CN1CCN(c2ncc(-c3c(Cl)c(Cl)cc(Cl)c3)c(N)n2)CC1,372.0544,[M+H]+,20.0,test,CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1
513286,CN1CCN(c2ncc(-c3c(Cl)c(Cl)cc(Cl)c3)c(N)n2)CC1,372.0544,[M+H]+,45.0,test,CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1
513287,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,390.07409,[M-H]-,20.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513288,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,390.07409,[M-H]-,20.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513289,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,390.07409,[M-H]-,60.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513290,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,390.07409,[M-H]-,20.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513291,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,390.07409,[M-H]-,45.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513292,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1,392.08864,[M+H]+,20.0,test,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1
513293,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1,392.08864,[M+H]+,20.0,test,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1
513294,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1,392.08864,[M+H]+,60.0,test,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1
513295,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1,392.08864,[M+H]+,20.0,test,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1
513296,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1,392.08864,[M+H]+,45.0,test,Cc1noc(C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1
513297,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,392.08864,[M+H]+,20.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513298,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,392.08864,[M+H]+,20.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513299,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,392.08864,[M+H]+,60.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513300,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,392.08864,[M+H]+,15.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513301,CCOc1cc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1,392.08864,[M+H]+,20.0,test,CCOc1cccc(S(=O)(=O)NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
513302,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,320.08745,[M-H]-,20.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513303,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,320.08745,[M-H]-,20.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513304,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,320.08745,[M-H]-,60.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513305,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,320.08745,[M-H]-,20.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513306,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,320.08745,[M-H]-,45.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513307,O=C(CN1CCOC(c2cc(F)ccc2)C1)Nc1nccs1,322.102,[M+H]+,20.0,test,O=C(CN1CCOC(c2cccc(F)c2)C1)Nc1nccs1
513308,O=C(CN1CCOC(c2cc(F)ccc2)C1)Nc1nccs1,322.102,[M+H]+,20.0,test,O=C(CN1CCOC(c2cccc(F)c2)C1)Nc1nccs1
513309,O=C(CN1CCOC(c2cc(F)ccc2)C1)Nc1nccs1,322.102,[M+H]+,60.0,test,O=C(CN1CCOC(c2cccc(F)c2)C1)Nc1nccs1
513310,O=C(CN1CCOC(c2cc(F)ccc2)C1)Nc1nccs1,322.102,[M+H]+,30.0,test,O=C(CN1CCOC(c2cccc(F)c2)C1)Nc1nccs1
513311,O=C(CN1CCOC(c2cc(F)ccc2)C1)Nc1nccs1,322.102,[M+H]+,20.0,test,O=C(CN1CCOC(c2cccc(F)c2)C1)Nc1nccs1
513312,O=C(CN1CCOC(c2cc(F)ccc2)C1)Nc1nccs1,322.102,[M+H]+,60.0,test,O=C(CN1CCOC(c2cccc(F)c2)C1)Nc1nccs1
513313,O=C(CN1CCOC(c2cc(F)ccc2)C1)Nc1nccs1,322.102,[M+H]+,30.0,test,O=C(CN1CCOC(c2cccc(F)c2)C1)Nc1nccs1
513314,O=C(CN1CCOC(c2cc(F)ccc2)C1)Nc1nccs1,322.102,[M+H]+,20.0,test,O=C(CN1CCOC(c2cccc(F)c2)C1)Nc1nccs1
513315,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,322.102,[M+H]+,20.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513316,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,322.102,[M+H]+,20.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513317,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,322.102,[M+H]+,60.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513318,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,322.102,[M+H]+,30.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513319,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,322.102,[M+H]+,20.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513320,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,322.102,[M+H]+,60.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513321,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,322.102,[M+H]+,30.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513322,O=C(Nc1ncc(Cc2cc(F)ccc2)s1)N1CCOCC1,322.102,[M+H]+,20.0,test,O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1
513323,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,271.10882,[M-H]-,20.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513324,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,271.10882,[M-H]-,20.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513325,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,271.10882,[M-H]-,60.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513326,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,271.10882,[M-H]-,20.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513327,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,271.10882,[M-H]-,45.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513328,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,271.10882,[M-H]-,60.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513329,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,271.10882,[M-H]-,20.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513330,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,271.10882,[M-H]-,20.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513331,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,271.10882,[M-H]-,20.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513332,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,271.10882,[M-H]-,60.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513333,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,271.10882,[M-H]-,30.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513334,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,271.10882,[M-H]-,20.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513335,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,271.10882,[M-H]-,20.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513336,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,271.10882,[M-H]-,20.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513337,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,271.10882,[M-H]-,60.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513338,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,271.10882,[M-H]-,30.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513339,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,271.10882,[M-H]-,20.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513340,Cc1c(NC(=O)C2(C#N)CCCC2)cc(C(=O)O)cc1,271.10882,[M-H]-,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1
513341,Cc1c(NC(=O)C2(C#N)CCCC2)cc(C(=O)O)cc1,271.10882,[M-H]-,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1
513342,Cc1c(NC(=O)C2(C#N)CCCC2)cc(C(=O)O)cc1,271.10882,[M-H]-,60.0,test,Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1
513343,Cc1c(NC(=O)C2(C#N)CCCC2)cc(C(=O)O)cc1,271.10882,[M-H]-,30.0,test,Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1
513344,Cc1c(NC(=O)C2(C#N)CCCC2)cc(C(=O)O)cc1,271.10882,[M-H]-,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1
513345,Cc1c(NC(=O)C2(C#N)CCCC2)cc(C(=O)O)cc1,271.10882,[M-H]-,60.0,test,Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1
513346,Cc1c(NC(=O)C2(C#N)CCCC2)cc(C(=O)O)cc1,271.10882,[M-H]-,30.0,test,Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1
513347,Cc1c(NC(=O)C2(C#N)CCCC2)cc(C(=O)O)cc1,271.10882,[M-H]-,20.0,test,Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1
513348,O=C(Nc1noc(-c2ccccc2)c1)C1CCCOC1,273.12337,[M+H]+,20.0,test,O=C(Nc1cc(-c2ccccc2)on1)C1CCCOC1
513349,O=C(Nc1noc(-c2ccccc2)c1)C1CCCOC1,273.12337,[M+H]+,20.0,test,O=C(Nc1cc(-c2ccccc2)on1)C1CCCOC1
513350,O=C(Nc1noc(-c2ccccc2)c1)C1CCCOC1,273.12337,[M+H]+,60.0,test,O=C(Nc1cc(-c2ccccc2)on1)C1CCCOC1
513351,O=C(Nc1noc(-c2ccccc2)c1)C1CCCOC1,273.12337,[M+H]+,30.0,test,O=C(Nc1cc(-c2ccccc2)on1)C1CCCOC1
513352,O=C(Nc1noc(-c2ccccc2)c1)C1CCCOC1,273.12337,[M+H]+,20.0,test,O=C(Nc1cc(-c2ccccc2)on1)C1CCCOC1
513353,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,273.12337,[M+H]+,20.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513354,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,273.12337,[M+H]+,20.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513355,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,273.12337,[M+H]+,60.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513356,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,273.12337,[M+H]+,15.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513357,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1,273.12337,[M+H]+,20.0,test,O=C(O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
513358,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1,273.12337,[M+H]+,20.0,test,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1
513359,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1,273.12337,[M+H]+,20.0,test,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1
513360,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1,273.12337,[M+H]+,60.0,test,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1
513361,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1,273.12337,[M+H]+,30.0,test,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1
513362,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1,273.12337,[M+H]+,20.0,test,O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2N1
513363,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2,273.12337,[M+H]+,20.0,test,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2
513364,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2,273.12337,[M+H]+,20.0,test,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2
513365,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2,273.12337,[M+H]+,60.0,test,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2
513366,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2,273.12337,[M+H]+,30.0,test,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2
513367,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2,273.12337,[M+H]+,20.0,test,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2
513368,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2,273.12337,[M+H]+,60.0,test,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2
513369,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2,273.12337,[M+H]+,30.0,test,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2
513370,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2,273.12337,[M+H]+,20.0,test,CCc1cccc2c1N(C(=O)c1cc(OC)no1)CC2
513371,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,273.12337,[M+H]+,15.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513372,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,273.12337,[M+H]+,15.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513373,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,273.12337,[M+H]+,20.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513374,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,273.12337,[M+H]+,60.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513375,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12,273.12337,[M+H]+,15.0,test,O=C(O)c1cn(CC(=O)N2CCCC2)c2ccccc12
513376,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,273.12337,[M+H]+,20.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513377,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,273.12337,[M+H]+,20.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513378,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,273.12337,[M+H]+,60.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513379,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,273.12337,[M+H]+,30.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513380,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O,273.12337,[M+H]+,20.0,test,O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O
513381,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1,273.12337,[M+H]+,20.0,test,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1
513382,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1,273.12337,[M+H]+,20.0,test,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1
513383,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1,273.12337,[M+H]+,30.0,test,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1
513384,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1,273.12337,[M+H]+,60.0,test,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1
513385,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1,273.12337,[M+H]+,15.0,test,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1
513386,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1,273.12337,[M+H]+,20.0,test,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1
513387,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1,273.12337,[M+H]+,60.0,test,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1
513388,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1,273.12337,[M+H]+,20.0,test,CN(C)C(=O)COc1ccc(Oc2ccccn2)cc1
513389,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,271.10882,[M-H]-,20.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513390,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,271.10882,[M-H]-,20.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513391,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,271.10882,[M-H]-,60.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513392,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,271.10882,[M-H]-,30.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513393,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,271.10882,[M-H]-,20.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513394,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,271.10882,[M-H]-,60.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513395,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,271.10882,[M-H]-,30.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513396,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,271.10882,[M-H]-,20.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513397,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,273.12337,[M+H]+,20.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513398,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,273.12337,[M+H]+,20.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513399,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,273.12337,[M+H]+,60.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513400,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,273.12337,[M+H]+,30.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513401,CC(=O)c1cc2c(cc1)cc(NC[C@H](N)C(=O)O)cc2,273.12337,[M+H]+,20.0,test,CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1
513402,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1,273.12337,[M+H]+,30.0,test,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1
513403,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1,273.12337,[M+H]+,30.0,test,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1
513404,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1,273.12337,[M+H]+,60.0,test,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1
513405,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1,273.12337,[M+H]+,20.0,test,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1
513406,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1,273.12337,[M+H]+,30.0,test,CN1C(=O)C2CCCN2C(=O)/C1=C/c1ccc(O)cc1
513407,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,359.09318,[M-H]-,20.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513408,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,359.09318,[M-H]-,20.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513409,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,359.09318,[M-H]-,60.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513410,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,359.09318,[M-H]-,20.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513411,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,359.09318,[M-H]-,45.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513412,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,359.09318,[M-H]-,60.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513413,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,359.09318,[M-H]-,20.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513414,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,359.09318,[M-H]-,45.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513415,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,361.10773,[M+H]+,20.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513416,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,361.10773,[M+H]+,20.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513417,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,361.10773,[M+H]+,60.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513418,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,361.10773,[M+H]+,20.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513419,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,361.10773,[M+H]+,45.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513420,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,361.10773,[M+H]+,60.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513421,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,361.10773,[M+H]+,20.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513422,O=c1[nH]c2c(cc(S(=O)(=O)N3CCN(c4nnccc4)CC3)cc2)[nH]1,361.10773,[M+H]+,45.0,test,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2[nH]1
513423,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1,345.09506,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1
513424,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1,345.09506,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1
513425,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1,345.09506,[M+H]+,60.0,test,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1
513426,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1,345.09506,[M+H]+,15.0,test,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1
513427,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1,345.09506,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1
513428,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1,309.15707,[M+H]+,20.0,test,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1
513429,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1,309.15707,[M+H]+,20.0,test,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1
513430,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1,309.15707,[M+H]+,60.0,test,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1
513431,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1,309.15707,[M+H]+,15.0,test,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1
513432,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1,309.15707,[M+H]+,20.0,test,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1
513433,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1,309.15707,[M+H]+,45.0,test,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1
513434,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1,309.15707,[M+H]+,60.0,test,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1
513435,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1,309.15707,[M+H]+,20.0,test,c1cnc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1
513436,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,323.13743,[M-H]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513437,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,323.13743,[M-H]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513438,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,323.13743,[M-H]-,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513439,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,323.13743,[M-H]-,30.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513440,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,323.13743,[M-H]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513441,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,323.13743,[M-H]-,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513442,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,323.13743,[M-H]-,30.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513443,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,323.13743,[M-H]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513444,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,359.11411,[M+Cl]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513445,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,359.11411,[M+Cl]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513446,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,359.11411,[M+Cl]-,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513447,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,359.11411,[M+Cl]-,15.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513448,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,359.11411,[M+Cl]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513449,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,369.14291,[M+FA]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513450,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,369.14291,[M+FA]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513451,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,369.14291,[M+FA]-,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513452,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,369.14291,[M+FA]-,15.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513453,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,369.14291,[M+FA]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513454,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,325.15198,[M+H]+,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513455,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,325.15198,[M+H]+,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513456,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,325.15198,[M+H]+,30.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513457,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,325.15198,[M+H]+,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513458,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,325.15198,[M+H]+,15.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513459,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,325.15198,[M+H]+,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513460,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,325.15198,[M+H]+,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513461,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1,325.15198,[M+H]+,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)NC1CCc2ncnn2C1
513462,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513463,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513464,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,60.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513465,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,15.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513466,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513467,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,277.10705,[M+H]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513468,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,277.10705,[M+H]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513469,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,277.10705,[M+H]+,60.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513470,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,277.10705,[M+H]+,15.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513471,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,277.10705,[M+H]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513472,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513473,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513474,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,60.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513475,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,15.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513476,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513477,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,299.08899,[M+Na]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513478,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,299.08899,[M+Na]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513479,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,299.08899,[M+Na]+,30.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513480,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,299.08899,[M+Na]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513481,COC1=CC(=O)O[C@@H](CCc2cc3c(cc2)OCO3)C1,277.10705,[M+H]+,20.0,test,COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)OCO3)C1
513482,COC1=CC(=O)O[C@@H](CCc2cc3c(cc2)OCO3)C1,277.10705,[M+H]+,20.0,test,COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)OCO3)C1
513483,COC1=CC(=O)O[C@@H](CCc2cc3c(cc2)OCO3)C1,277.10705,[M+H]+,60.0,test,COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)OCO3)C1
513484,COC1=CC(=O)O[C@@H](CCc2cc3c(cc2)OCO3)C1,277.10705,[M+H]+,15.0,test,COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)OCO3)C1
513485,COC1=CC(=O)O[C@@H](CCc2cc3c(cc2)OCO3)C1,277.10705,[M+H]+,20.0,test,COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)OCO3)C1
513486,COC1=CC(=O)O[C@@H](CCc2cc3c(cc2)OCO3)C1,277.10705,[M+H]+,60.0,test,COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)OCO3)C1
513487,COC1=CC(=O)O[C@@H](CCc2cc3c(cc2)OCO3)C1,277.10705,[M+H]+,15.0,test,COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)OCO3)C1
513488,COC1=CC(=O)O[C@@H](CCc2cc3c(cc2)OCO3)C1,277.10705,[M+H]+,20.0,test,COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)OCO3)C1
513489,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513490,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513491,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,60.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513492,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,15.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513493,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,259.09649,[M+H-H2O]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513494,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513495,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513496,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,60.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513497,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,15.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513498,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,294.1336,[M+NH4]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513499,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,299.08899,[M+Na]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513500,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,299.08899,[M+Na]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513501,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,299.08899,[M+Na]+,30.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513502,C=C(C)C(O)C(O)c1c2oc(=O)ccc2ccc1OC,299.08899,[M+Na]+,20.0,test,C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12
513503,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3,277.10705,[M+H]+,20.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3
513504,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3,277.10705,[M+H]+,20.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3
513505,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3,277.10705,[M+H]+,60.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3
513506,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3,277.10705,[M+H]+,20.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3
513507,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3,277.10705,[M+H]+,45.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3
513508,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3,277.10705,[M+H]+,60.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3
513509,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3,277.10705,[M+H]+,20.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3
513510,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3,277.10705,[M+H]+,45.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3
513511,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3,277.10705,[M+H]+,20.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3
513512,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3,277.10705,[M+H]+,20.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3
513513,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3,277.10705,[M+H]+,45.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3
513514,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3,277.10705,[M+H]+,60.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3
513515,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3,277.10705,[M+H]+,20.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3
513516,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3,277.10705,[M+H]+,20.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3
513517,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3,277.10705,[M+H]+,45.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3
513518,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3,277.10705,[M+H]+,60.0,test,Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3
513519,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,291.08741,[M-H]-,20.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513520,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,291.08741,[M-H]-,20.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513521,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,291.08741,[M-H]-,60.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513522,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,291.08741,[M-H]-,20.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513523,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,291.08741,[M-H]-,45.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513524,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,337.09289,[M+FA]-,20.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513525,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,337.09289,[M+FA]-,20.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513526,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,337.09289,[M+FA]-,60.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513527,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,337.09289,[M+FA]-,15.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513528,COc1cc2c(C(=O)OC3(C)CC(O)C(O)C=C23)c(O)c1,337.09289,[M+FA]-,20.0,test,COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O
513529,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,291.08741,[M-H]-,20.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513530,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,291.08741,[M-H]-,20.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513531,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,291.08741,[M-H]-,60.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513532,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,291.08741,[M-H]-,20.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513533,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,291.08741,[M-H]-,45.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513534,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,337.09289,[M+FA]-,20.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513535,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,337.09289,[M+FA]-,20.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513536,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,337.09289,[M+FA]-,60.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513537,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,337.09289,[M+FA]-,15.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513538,COc1cc2c(C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C23)c(O)c1,337.09289,[M+FA]-,20.0,test,COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O
513539,CC(=O)c1c(O)c(CC2=C(O)C(C)OC2=O)c(O)c(C)c1,291.08741,[M-H]-,20.0,test,CC(=O)c1cc(C)c(O)c(CC2=C(O)C(C)OC2=O)c1O
513540,CC(=O)c1c(O)c(CC2=C(O)C(C)OC2=O)c(O)c(C)c1,291.08741,[M-H]-,20.0,test,CC(=O)c1cc(C)c(O)c(CC2=C(O)C(C)OC2=O)c1O
513541,CC(=O)c1c(O)c(CC2=C(O)C(C)OC2=O)c(O)c(C)c1,291.08741,[M-H]-,60.0,test,CC(=O)c1cc(C)c(O)c(CC2=C(O)C(C)OC2=O)c1O
513542,CC(=O)c1c(O)c(CC2=C(O)C(C)OC2=O)c(O)c(C)c1,291.08741,[M-H]-,30.0,test,CC(=O)c1cc(C)c(O)c(CC2=C(O)C(C)OC2=O)c1O
513543,CC(=O)c1c(O)c(CC2=C(O)C(C)OC2=O)c(O)c(C)c1,291.08741,[M-H]-,20.0,test,CC(=O)c1cc(C)c(O)c(CC2=C(O)C(C)OC2=O)c1O
513544,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,327.06409,[M+Cl]-,20.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513545,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,327.06409,[M+Cl]-,20.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513546,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,327.06409,[M+Cl]-,60.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513547,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,327.06409,[M+Cl]-,15.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513548,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,327.06409,[M+Cl]-,20.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513549,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,337.09289,[M+FA]-,20.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513550,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,337.09289,[M+FA]-,20.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513551,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,337.09289,[M+FA]-,60.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513552,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,337.09289,[M+FA]-,15.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513553,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,337.09289,[M+FA]-,20.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513554,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,337.09289,[M+FA]-,15.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513555,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,337.09289,[M+FA]-,20.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513556,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,337.09289,[M+FA]-,60.0,test,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C
513557,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,293.10196,[M+H]+,20.0,test,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
513558,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,293.10196,[M+H]+,20.0,test,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
513559,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,293.10196,[M+H]+,45.0,test,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
513560,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,293.10196,[M+H]+,60.0,test,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
513561,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,293.10196,[M+H]+,20.0,test,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
513562,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,293.10196,[M+H]+,45.0,test,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
513563,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,293.10196,[M+H]+,60.0,test,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
513564,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,293.10196,[M+H]+,20.0,test,CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
513565,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1,365.04301,[M+H]+,20.0,test,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1
513566,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1,365.04301,[M+H]+,20.0,test,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1
513567,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1,365.04301,[M+H]+,60.0,test,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1
513568,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1,365.04301,[M+H]+,30.0,test,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1
513569,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1,365.04301,[M+H]+,20.0,test,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1
513570,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1,365.04301,[M+H]+,60.0,test,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1
513571,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1,365.04301,[M+H]+,30.0,test,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1
513572,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1,365.04301,[M+H]+,20.0,test,Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1
513573,CCCC1COC(Cn2cncn2)(c2c(Cl)cc(Cl)cc2)O1,342.07706,[M+H]+,20.0,test,CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
513574,CCCC1COC(Cn2cncn2)(c2c(Cl)cc(Cl)cc2)O1,342.07706,[M+H]+,20.0,test,CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
513575,CCCC1COC(Cn2cncn2)(c2c(Cl)cc(Cl)cc2)O1,342.07706,[M+H]+,60.0,test,CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
513576,CCCC1COC(Cn2cncn2)(c2c(Cl)cc(Cl)cc2)O1,342.07706,[M+H]+,30.0,test,CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
513577,CCCC1COC(Cn2cncn2)(c2c(Cl)cc(Cl)cc2)O1,342.07706,[M+H]+,20.0,test,CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
513578,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,353.09097,[M+FA]-,20.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513579,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,353.09097,[M+FA]-,20.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513580,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,353.09097,[M+FA]-,60.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513581,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,353.09097,[M+FA]-,15.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513582,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,353.09097,[M+FA]-,20.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513583,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,307.08549,[M-H]-,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513584,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,307.08549,[M-H]-,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513585,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,307.08549,[M-H]-,60.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513586,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,307.08549,[M-H]-,30.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513587,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,307.08549,[M-H]-,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513588,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,353.09097,[M+FA]-,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513589,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,353.09097,[M+FA]-,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513590,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,353.09097,[M+FA]-,60.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513591,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,353.09097,[M+FA]-,15.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513592,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,353.09097,[M+FA]-,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513593,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,353.09097,[M+FA]-,15.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513594,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,353.09097,[M+FA]-,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513595,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,353.09097,[M+FA]-,60.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513596,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl,309.10005,[M+H]+,20.0,test,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl
513597,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl,309.10005,[M+H]+,20.0,test,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl
513598,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl,309.10005,[M+H]+,60.0,test,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl
513599,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl,309.10005,[M+H]+,15.0,test,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl
513600,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl,309.10005,[M+H]+,20.0,test,COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl
513601,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C,309.10005,[M+H]+,20.0,test,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C
513602,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C,309.10005,[M+H]+,20.0,test,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C
513603,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C,309.10005,[M+H]+,60.0,test,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C
513604,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C,309.10005,[M+H]+,30.0,test,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C
513605,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C,309.10005,[M+H]+,20.0,test,COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C
513606,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1,309.10005,[M+H]+,20.0,test,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1
513607,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1,309.10005,[M+H]+,20.0,test,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1
513608,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1,309.10005,[M+H]+,60.0,test,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1
513609,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1,309.10005,[M+H]+,15.0,test,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1
513610,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1,309.10005,[M+H]+,20.0,test,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1
513611,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,309.10005,[M+H]+,20.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513612,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,309.10005,[M+H]+,20.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513613,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,309.10005,[M+H]+,60.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513614,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,309.10005,[M+H]+,15.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513615,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,309.10005,[M+H]+,20.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513616,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,309.10005,[M+H]+,15.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513617,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,309.10005,[M+H]+,20.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513618,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1,309.10005,[M+H]+,60.0,test,COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
513619,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,291.08949,[M+H-H2O]+,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513620,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,291.08949,[M+H-H2O]+,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513621,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,291.08949,[M+H-H2O]+,60.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513622,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,291.08949,[M+H-H2O]+,15.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513623,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1,291.08949,[M+H-H2O]+,20.0,test,O=C(NCCC(O)c1ccco1)NCc1ccc(Cl)cc1
513624,Cn1c(C(F)F)nc2c1ccc(C(=O)N1CCCS(=O)(=O)CC1)c2,358.10314,[M+H]+,20.0,test,Cn1c(C(F)F)nc2cc(C(=O)N3CCCS(=O)(=O)CC3)ccc21
513625,Cn1c(C(F)F)nc2c1ccc(C(=O)N1CCCS(=O)(=O)CC1)c2,358.10314,[M+H]+,20.0,test,Cn1c(C(F)F)nc2cc(C(=O)N3CCCS(=O)(=O)CC3)ccc21
513626,Cn1c(C(F)F)nc2c1ccc(C(=O)N1CCCS(=O)(=O)CC1)c2,358.10314,[M+H]+,60.0,test,Cn1c(C(F)F)nc2cc(C(=O)N3CCCS(=O)(=O)CC3)ccc21
513627,Cn1c(C(F)F)nc2c1ccc(C(=O)N1CCCS(=O)(=O)CC1)c2,358.10314,[M+H]+,30.0,test,Cn1c(C(F)F)nc2cc(C(=O)N3CCCS(=O)(=O)CC3)ccc21
513628,Cn1c(C(F)F)nc2c1ccc(C(=O)N1CCCS(=O)(=O)CC1)c2,358.10314,[M+H]+,20.0,test,Cn1c(C(F)F)nc2cc(C(=O)N3CCCS(=O)(=O)CC3)ccc21
513629,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N,347.10356,[M+H]+,20.0,test,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N
513630,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N,347.10356,[M+H]+,20.0,test,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N
513631,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N,347.10356,[M+H]+,45.0,test,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N
513632,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N,347.10356,[M+H]+,60.0,test,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N
513633,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N,347.10356,[M+H]+,20.0,test,CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N
513634,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,329.11185,[M-H]-,20.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513635,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,329.11185,[M-H]-,60.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513636,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,329.11185,[M-H]-,20.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513637,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,329.11185,[M-H]-,45.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513638,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,331.1264,[M+H]+,20.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513639,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,331.1264,[M+H]+,20.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513640,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,331.1264,[M+H]+,60.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513641,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,331.1264,[M+H]+,30.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513642,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,331.1264,[M+H]+,20.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513643,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,331.1264,[M+H]+,60.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513644,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,331.1264,[M+H]+,30.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513645,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1,331.1264,[M+H]+,20.0,test,CC(CN1CCCC1=O)NC(=O)c1ccc(OC(F)(F)F)cc1
513646,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,341.12308,[M-H]-,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513647,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,341.12308,[M-H]-,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513648,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,341.12308,[M-H]-,60.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513649,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,341.12308,[M-H]-,30.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513650,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,341.12308,[M-H]-,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513651,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,341.12308,[M-H]-,60.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513652,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,341.12308,[M-H]-,30.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513653,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,341.12308,[M-H]-,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513654,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,377.09976,[M+Cl]-,15.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513655,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,377.09976,[M+Cl]-,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513656,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,377.09976,[M+Cl]-,15.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513657,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,387.12856,[M+FA]-,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513658,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,387.12856,[M+FA]-,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513659,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,387.12856,[M+FA]-,60.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513660,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,387.12856,[M+FA]-,15.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513661,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,387.12856,[M+FA]-,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513662,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,343.13764,[M+H]+,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513663,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,343.13764,[M+H]+,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513664,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,343.13764,[M+H]+,30.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513665,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,343.13764,[M+H]+,60.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513666,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,343.13764,[M+H]+,15.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513667,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,343.13764,[M+H]+,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513668,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,343.13764,[M+H]+,60.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513669,Cc1noc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1,343.13764,[M+H]+,20.0,test,Cc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1
513670,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,341.12308,[M-H]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513671,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,341.12308,[M-H]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513672,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,341.12308,[M-H]-,60.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513673,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,341.12308,[M-H]-,15.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513674,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,341.12308,[M-H]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513675,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,377.09976,[M+Cl]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513676,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,377.09976,[M+Cl]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513677,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,377.09976,[M+Cl]-,60.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513678,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,377.09976,[M+Cl]-,15.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513679,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,377.09976,[M+Cl]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513680,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,387.12856,[M+FA]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513681,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,387.12856,[M+FA]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513682,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,387.12856,[M+FA]-,60.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513683,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,387.12856,[M+FA]-,15.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513684,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,387.12856,[M+FA]-,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513685,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,343.13764,[M+H]+,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513686,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,343.13764,[M+H]+,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513687,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,343.13764,[M+H]+,60.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513688,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,343.13764,[M+H]+,15.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513689,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O,343.13764,[M+H]+,20.0,test,CC(C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O
513690,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,343.13764,[M+H]+,20.0,test,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
513691,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,343.13764,[M+H]+,20.0,test,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
513692,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,343.13764,[M+H]+,60.0,test,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
513693,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,343.13764,[M+H]+,15.0,test,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
513694,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,343.13764,[M+H]+,20.0,test,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
513695,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,343.13764,[M+H]+,20.0,test,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
513696,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,343.13764,[M+H]+,15.0,test,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
513697,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,343.13764,[M+H]+,60.0,test,CC(C)c1noc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
513698,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513699,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513700,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513701,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513702,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,15.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513703,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513704,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513705,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513706,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513707,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513708,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513709,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513710,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,321.13574,[M+H]+,45.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
513711,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F,333.14698,[M+H]+,20.0,test,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F
513712,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F,333.14698,[M+H]+,20.0,test,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F
513713,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F,333.14698,[M+H]+,45.0,test,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F
513714,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F,333.14698,[M+H]+,60.0,test,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F
513715,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F,333.14698,[M+H]+,20.0,test,Cc1ncnc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1F
513716,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513717,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513718,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,45.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513719,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,60.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513720,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513721,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,60.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513722,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,45.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513723,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513724,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513725,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513726,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,45.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513727,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,60.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513728,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513729,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,45.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513730,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,60.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513731,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513732,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513733,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513734,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,45.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513735,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,60.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513736,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513737,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,60.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513738,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,45.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513739,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1,385.04075,[M+H]+,20.0,test,O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1
513740,Cc1c(C)c(-n2cnnn2)c(C(=O)NCCn2ccnc2)cc1,312.15673,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513741,Cc1c(C)c(-n2cnnn2)c(C(=O)NCCn2ccnc2)cc1,312.15673,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513742,Cc1c(C)c(-n2cnnn2)c(C(=O)NCCn2ccnc2)cc1,312.15673,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513743,Cc1c(C)c(-n2cnnn2)c(C(=O)NCCn2ccnc2)cc1,312.15673,[M+H]+,30.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513744,Cc1c(C)c(-n2cnnn2)c(C(=O)NCCn2ccnc2)cc1,312.15673,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513745,Cc1c(C)c(-n2cnnn2)c(C(=O)NCCn2ccnc2)cc1,312.15673,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513746,Cc1c(C)c(-n2cnnn2)c(C(=O)NCCn2ccnc2)cc1,312.15673,[M+H]+,30.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513747,Cc1c(C)c(-n2cnnn2)c(C(=O)NCCn2ccnc2)cc1,312.15673,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513748,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,346.11886,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513749,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,346.11886,[M+Cl]-,60.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513750,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,346.11886,[M+Cl]-,15.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513751,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,346.11886,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513752,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,356.14766,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513753,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,356.14766,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513754,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,356.14766,[M+FA]-,60.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513755,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,356.14766,[M+FA]-,15.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513756,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,356.14766,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513757,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1,312.15673,[M+H]+,20.0,test,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1
513758,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1,312.15673,[M+H]+,20.0,test,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1
513759,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1,312.15673,[M+H]+,45.0,test,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1
513760,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1,312.15673,[M+H]+,60.0,test,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1
513761,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1,312.15673,[M+H]+,20.0,test,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1
513762,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1,312.15673,[M+H]+,45.0,test,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1
513763,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1,312.15673,[M+H]+,60.0,test,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1
513764,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1,312.15673,[M+H]+,20.0,test,COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1
513765,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1,312.15673,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1
513766,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1,312.15673,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1
513767,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1,312.15673,[M+H]+,30.0,test,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1
513768,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1,312.15673,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1
513769,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1,312.15673,[M+H]+,15.0,test,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1
513770,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1,312.15673,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1
513771,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1,312.15673,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1
513772,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1,312.15673,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1
513773,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1,312.15673,[M+H]+,20.0,test,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
513774,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1,312.15673,[M+H]+,20.0,test,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
513775,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1,312.15673,[M+H]+,45.0,test,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
513776,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1,312.15673,[M+H]+,60.0,test,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
513777,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1,312.15673,[M+H]+,20.0,test,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
513778,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1,312.15673,[M+H]+,60.0,test,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
513779,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1,312.15673,[M+H]+,45.0,test,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
513780,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1,312.15673,[M+H]+,20.0,test,COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
513781,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C,312.15673,[M+H]+,20.0,test,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C
513782,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C,312.15673,[M+H]+,20.0,test,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C
513783,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C,312.15673,[M+H]+,45.0,test,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C
513784,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C,312.15673,[M+H]+,60.0,test,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C
513785,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C,312.15673,[M+H]+,20.0,test,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C
513786,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C,312.15673,[M+H]+,45.0,test,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C
513787,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C,312.15673,[M+H]+,60.0,test,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C
513788,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C,312.15673,[M+H]+,20.0,test,Cc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nn1C
513789,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,312.15673,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513790,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,312.15673,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513791,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,312.15673,[M+H]+,30.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513792,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,312.15673,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513793,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,312.15673,[M+H]+,15.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513794,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,312.15673,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513795,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,312.15673,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513796,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C,312.15673,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C
513797,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,472.05261,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
513798,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,472.05261,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
513799,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,472.05261,[M+H]+,60.0,test,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
513800,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,472.05261,[M+H]+,15.0,test,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
513801,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,472.05261,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
513802,O=C(NCCC1=CCCCC1)c1ccccc1Br,308.06445,[M+H]+,20.0,test,O=C(NCCC1=CCCCC1)c1ccccc1Br
513803,O=C(NCCC1=CCCCC1)c1ccccc1Br,308.06445,[M+H]+,20.0,test,O=C(NCCC1=CCCCC1)c1ccccc1Br
513804,O=C(NCCC1=CCCCC1)c1ccccc1Br,308.06445,[M+H]+,60.0,test,O=C(NCCC1=CCCCC1)c1ccccc1Br
513805,O=C(NCCC1=CCCCC1)c1ccccc1Br,308.06445,[M+H]+,30.0,test,O=C(NCCC1=CCCCC1)c1ccccc1Br
513806,O=C(NCCC1=CCCCC1)c1ccccc1Br,308.06445,[M+H]+,20.0,test,O=C(NCCC1=CCCCC1)c1ccccc1Br
513807,O=C(NCCC1=CCCCC1)c1ccccc1Br,308.06445,[M+H]+,30.0,test,O=C(NCCC1=CCCCC1)c1ccccc1Br
513808,O=C(NCCC1=CCCCC1)c1ccccc1Br,308.06445,[M+H]+,60.0,test,O=C(NCCC1=CCCCC1)c1ccccc1Br
513809,O=C(NCCC1=CCCCC1)c1ccccc1Br,308.06445,[M+H]+,20.0,test,O=C(NCCC1=CCCCC1)c1ccccc1Br
513810,O=C(NS(=O)(=O)CCc1cc(Cl)ccc1)C(F)(F)C1CCOCC1,380.05404,[M-H]-,20.0,test,O=C(NS(=O)(=O)CCc1cccc(Cl)c1)C(F)(F)C1CCOCC1
513811,O=C(NS(=O)(=O)CCc1cc(Cl)ccc1)C(F)(F)C1CCOCC1,380.05404,[M-H]-,20.0,test,O=C(NS(=O)(=O)CCc1cccc(Cl)c1)C(F)(F)C1CCOCC1
513812,O=C(NS(=O)(=O)CCc1cc(Cl)ccc1)C(F)(F)C1CCOCC1,380.05404,[M-H]-,60.0,test,O=C(NS(=O)(=O)CCc1cccc(Cl)c1)C(F)(F)C1CCOCC1
513813,O=C(NS(=O)(=O)CCc1cc(Cl)ccc1)C(F)(F)C1CCOCC1,380.05404,[M-H]-,20.0,test,O=C(NS(=O)(=O)CCc1cccc(Cl)c1)C(F)(F)C1CCOCC1
513814,O=C(NS(=O)(=O)CCc1cc(Cl)ccc1)C(F)(F)C1CCOCC1,380.05404,[M-H]-,45.0,test,O=C(NS(=O)(=O)CCc1cccc(Cl)c1)C(F)(F)C1CCOCC1
513815,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1,313.11136,[M+H]+,20.0,test,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1
513816,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1,313.11136,[M+H]+,20.0,test,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1
513817,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1,313.11136,[M+H]+,60.0,test,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1
513818,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1,313.11136,[M+H]+,30.0,test,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1
513819,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1,313.11136,[M+H]+,20.0,test,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1
513820,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1,313.11136,[M+H]+,45.0,test,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1
513821,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1,313.11136,[M+H]+,60.0,test,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1
513822,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1,313.11136,[M+H]+,20.0,test,O=C(NC1CC1)C1CN(Cc2c(F)cccc2Cl)CCO1
513823,CC1(C)O[C@H]2[C@H](n3ccc4c3ncnc4Cl)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,20.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513824,CC1(C)O[C@H]2[C@H](n3ccc4c3ncnc4Cl)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,20.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513825,CC1(C)O[C@H]2[C@H](n3ccc4c3ncnc4Cl)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,60.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513826,CC1(C)O[C@H]2[C@H](n3ccc4c3ncnc4Cl)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,30.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513827,CC1(C)O[C@H]2[C@H](n3ccc4c3ncnc4Cl)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,20.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513828,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,20.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513829,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,20.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513830,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,60.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513831,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,15.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513832,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1,340.10586,[M+H]+,20.0,test,CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1
513833,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1,328.07687,[M+H]+,20.0,test,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1
513834,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1,328.07687,[M+H]+,20.0,test,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1
513835,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1,328.07687,[M+H]+,60.0,test,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1
513836,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1,328.07687,[M+H]+,30.0,test,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1
513837,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1,328.07687,[M+H]+,20.0,test,COC(=O)CSC1CCN(C(=O)Cc2ccccc2Cl)C1
513838,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1,345.1079,[M+H]+,20.0,test,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
513839,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1,345.1079,[M+H]+,20.0,test,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
513840,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1,345.1079,[M+H]+,60.0,test,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
513841,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1,345.1079,[M+H]+,15.0,test,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
513842,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1,345.1079,[M+H]+,20.0,test,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
513843,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1,345.1079,[M+H]+,60.0,test,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
513844,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1,345.1079,[M+H]+,15.0,test,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
513845,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1,345.1079,[M+H]+,20.0,test,CN(C)C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
513846,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,20.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513847,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,20.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513848,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,60.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513849,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,20.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513850,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,45.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513851,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,300.12169,[M-H]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513852,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,300.12169,[M-H]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513853,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,300.12169,[M-H]-,45.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513854,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,300.12169,[M-H]-,60.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513855,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,300.12169,[M-H]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513856,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,300.12169,[M-H]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513857,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,300.12169,[M-H]-,45.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513858,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,300.12169,[M-H]-,60.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513859,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,336.09836,[M+Cl]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513860,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,346.12717,[M+FA]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513861,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,346.12717,[M+FA]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513862,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,346.12717,[M+FA]-,60.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513863,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,346.12717,[M+FA]-,15.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513864,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,346.12717,[M+FA]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513865,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,346.12717,[M+FA]-,15.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513866,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,346.12717,[M+FA]-,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513867,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,346.12717,[M+FA]-,60.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513868,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513869,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513870,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,60.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513871,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,30.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513872,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513873,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,30.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513874,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,30.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513875,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,20.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513876,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,60.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513877,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1,302.13624,[M+H]+,30.0,test,CC1(CNC(=O)c2cccc(C(F)(F)F)c2)CCOCC1
513878,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,20.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513879,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,20.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513880,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,45.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513881,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,60.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513882,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,20.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513883,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,45.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513884,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,60.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513885,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1,302.13624,[M+H]+,20.0,test,OC1CC2CCC(C1)N2Cc1ccc(OC(F)(F)F)cc1
513886,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,294.11471,[M-H]-,20.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513887,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,294.11471,[M-H]-,20.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513888,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,294.11471,[M-H]-,60.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513889,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,294.11471,[M-H]-,20.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513890,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,294.11471,[M-H]-,45.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513891,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,296.12926,[M+H]+,20.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513892,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,296.12926,[M+H]+,20.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513893,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,296.12926,[M+H]+,60.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513894,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,296.12926,[M+H]+,30.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513895,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,296.12926,[M+H]+,20.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513896,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,296.12926,[M+H]+,60.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513897,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,296.12926,[M+H]+,30.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513898,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1,296.12926,[M+H]+,20.0,test,CC1CN(C(=O)c2c(O)cccc2F)CC2(CCOC2)O1
513899,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1,294.11471,[M-H]-,20.0,test,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
513900,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1,294.11471,[M-H]-,20.0,test,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
513901,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1,294.11471,[M-H]-,60.0,test,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
513902,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1,294.11471,[M-H]-,15.0,test,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
513903,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1,294.11471,[M-H]-,20.0,test,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
513904,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1,294.11471,[M-H]-,15.0,test,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
513905,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1,294.11471,[M-H]-,20.0,test,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
513906,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1,294.11471,[M-H]-,60.0,test,CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
513907,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,353.06352,[M-H]-,20.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513908,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,353.06352,[M-H]-,20.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513909,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,353.06352,[M-H]-,60.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513910,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,353.06352,[M-H]-,30.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513911,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,353.06352,[M-H]-,20.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513912,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,355.07808,[M+H]+,15.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513913,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,355.07808,[M+H]+,15.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513914,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,355.07808,[M+H]+,20.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513915,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,355.07808,[M+H]+,60.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513916,CN(C)c1cc(S(=O)(=O)NC(CC(=O)O)c2cccs2)ccc1,355.07808,[M+H]+,15.0,test,CN(C)c1cccc(S(=O)(=O)NC(CC(=O)O)c2cccs2)c1
513917,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,313.14185,[M-H]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513918,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,313.14185,[M-H]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513919,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,313.14185,[M-H]-,60.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513920,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,313.14185,[M-H]-,30.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513921,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,313.14185,[M-H]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513922,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,313.14185,[M-H]-,60.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513923,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,313.14185,[M-H]-,30.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513924,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,313.14185,[M-H]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513925,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,349.11852,[M+Cl]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513926,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,349.11852,[M+Cl]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513927,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,349.11852,[M+Cl]-,60.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513928,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,349.11852,[M+Cl]-,15.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513929,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,349.11852,[M+Cl]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513930,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,359.14733,[M+FA]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513931,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,359.14733,[M+FA]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513932,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,359.14733,[M+FA]-,60.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513933,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,359.14733,[M+FA]-,15.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513934,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,359.14733,[M+FA]-,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513935,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,359.14733,[M+FA]-,20.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513936,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,359.14733,[M+FA]-,60.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513937,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,359.14733,[M+FA]-,15.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513938,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,359.14733,[M+FA]-,20.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513939,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,313.14185,[M-H]-,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513940,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,313.14185,[M-H]-,60.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513941,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,313.14185,[M-H]-,30.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513942,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,313.14185,[M-H]-,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513943,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,359.14733,[M+FA]-,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513944,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,359.14733,[M+FA]-,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513945,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,359.14733,[M+FA]-,60.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513946,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,359.14733,[M+FA]-,15.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513947,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,359.14733,[M+FA]-,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513948,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,30.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513949,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,30.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513950,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513951,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,60.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513952,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,30.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513953,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513954,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513955,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,60.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513956,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,30.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513957,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513958,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,60.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513959,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,30.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513960,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513961,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513962,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513963,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,60.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513964,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,30.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513965,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513966,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,60.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513967,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,30.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513968,CC(C)c1n[nH]c(CNC(=O)c2cc3c(cc2)[nH]c(=O)n3C)n1,315.1564,[M+H]+,20.0,test,CC(C)c1n[nH]c(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1
513969,CNC(=O)CN1CCN(C(=O)c2nc3ccccc3nn2)CC1,315.1564,[M+H]+,20.0,test,CNC(=O)CN1CCN(C(=O)c2nnc3ccccc3n2)CC1
513970,CNC(=O)CN1CCN(C(=O)c2nc3ccccc3nn2)CC1,315.1564,[M+H]+,20.0,test,CNC(=O)CN1CCN(C(=O)c2nnc3ccccc3n2)CC1
513971,CNC(=O)CN1CCN(C(=O)c2nc3ccccc3nn2)CC1,315.1564,[M+H]+,60.0,test,CNC(=O)CN1CCN(C(=O)c2nnc3ccccc3n2)CC1
513972,CNC(=O)CN1CCN(C(=O)c2nc3ccccc3nn2)CC1,315.1564,[M+H]+,30.0,test,CNC(=O)CN1CCN(C(=O)c2nnc3ccccc3n2)CC1
513973,CNC(=O)CN1CCN(C(=O)c2nc3ccccc3nn2)CC1,315.1564,[M+H]+,20.0,test,CNC(=O)CN1CCN(C(=O)c2nnc3ccccc3n2)CC1
513974,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,315.1564,[M+H]+,20.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513975,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,315.1564,[M+H]+,20.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513976,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,315.1564,[M+H]+,60.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513977,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,315.1564,[M+H]+,15.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513978,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,315.1564,[M+H]+,20.0,test,Cn1nncc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
513979,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513980,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513981,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,60.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513982,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,30.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513983,NC(=O)c1cnc(C(=O)N2CCCC(Cn3ccnn3)C2)cc1,315.1564,[M+H]+,20.0,test,NC(=O)c1ccc(C(=O)N2CCCC(Cn3ccnn3)C2)nc1
513984,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,313.14185,[M-H]-,20.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
513985,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,313.14185,[M-H]-,20.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
513986,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,313.14185,[M-H]-,60.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
513987,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,313.14185,[M-H]-,60.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
513988,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1,315.1564,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1
513989,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1,315.1564,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1
513990,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1,315.1564,[M+H]+,60.0,test,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1
513991,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1,315.1564,[M+H]+,30.0,test,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1
513992,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1,315.1564,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1
513993,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1,315.1564,[M+H]+,30.0,test,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1
513994,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1,315.1564,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1
513995,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1,315.1564,[M+H]+,60.0,test,Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1
513996,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,20.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
513997,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,20.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
513998,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,60.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
513999,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,30.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
514000,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,20.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
514001,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,20.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
514002,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,20.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
514003,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,60.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
514004,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,30.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
514005,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1,315.1564,[M+H]+,20.0,test,O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1
514006,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1,315.1564,[M+H]+,20.0,test,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
514007,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1,315.1564,[M+H]+,20.0,test,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
514008,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1,315.1564,[M+H]+,60.0,test,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
514009,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1,315.1564,[M+H]+,30.0,test,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
514010,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1,315.1564,[M+H]+,20.0,test,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
514011,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1,315.1564,[M+H]+,60.0,test,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
514012,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1,315.1564,[M+H]+,30.0,test,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
514013,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1,315.1564,[M+H]+,20.0,test,COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
514014,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,315.1564,[M+H]+,20.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
514015,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,315.1564,[M+H]+,20.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
514016,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,315.1564,[M+H]+,30.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
514017,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,315.1564,[M+H]+,60.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
514018,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,315.1564,[M+H]+,15.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
514019,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,315.1564,[M+H]+,20.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
514020,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,315.1564,[M+H]+,60.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
514021,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O,315.1564,[M+H]+,20.0,test,Cn1c(=O)cc(N2CC3CN(c4ccncn4)CC3C2)[nH]c1=O
514022,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,277.10815,[M-H]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514023,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,277.10815,[M-H]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514024,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,277.10815,[M-H]-,60.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514025,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,277.10815,[M-H]-,30.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514026,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,277.10815,[M-H]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514027,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,313.08483,[M+Cl]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514028,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,313.08483,[M+Cl]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514029,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,313.08483,[M+Cl]-,60.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514030,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,313.08483,[M+Cl]-,15.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514031,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,313.08483,[M+Cl]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514032,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,323.11363,[M+FA]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514033,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,323.11363,[M+FA]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514034,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,323.11363,[M+FA]-,60.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514035,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,323.11363,[M+FA]-,15.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514036,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,323.11363,[M+FA]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514037,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,323.11363,[M+FA]-,60.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514038,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,323.11363,[M+FA]-,15.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514039,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12,323.11363,[M+FA]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
514040,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,277.10815,[M-H]-,20.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514041,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,277.10815,[M-H]-,20.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514042,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,277.10815,[M-H]-,60.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514043,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,277.10815,[M-H]-,30.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514044,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,277.10815,[M-H]-,20.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514045,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,323.11363,[M+FA]-,20.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514046,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,323.11363,[M+FA]-,20.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514047,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,323.11363,[M+FA]-,60.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514048,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,323.11363,[M+FA]-,15.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514049,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,323.11363,[M+FA]-,20.0,test,CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
514050,CC1=C2C(O)C(=O)OC(c3cocc3)C2(C)CCC1O,323.11363,[M+FA]-,20.0,test,CC1=C2C(O)C(=O)OC(c3ccoc3)C2(C)CCC1O
514051,CC1=C2C(O)C(=O)OC(c3cocc3)C2(C)CCC1O,323.11363,[M+FA]-,20.0,test,CC1=C2C(O)C(=O)OC(c3ccoc3)C2(C)CCC1O
514052,CC1=C2C(O)C(=O)OC(c3cocc3)C2(C)CCC1O,323.11363,[M+FA]-,60.0,test,CC1=C2C(O)C(=O)OC(c3ccoc3)C2(C)CCC1O
514053,CC1=C2C(O)C(=O)OC(c3cocc3)C2(C)CCC1O,323.11363,[M+FA]-,15.0,test,CC1=C2C(O)C(=O)OC(c3ccoc3)C2(C)CCC1O
514054,CC1=C2C(O)C(=O)OC(c3cocc3)C2(C)CCC1O,323.11363,[M+FA]-,20.0,test,CC1=C2C(O)C(=O)OC(c3ccoc3)C2(C)CCC1O
514055,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,277.10815,[M-H]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514056,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,277.10815,[M-H]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514057,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,277.10815,[M-H]-,60.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514058,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,277.10815,[M-H]-,30.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514059,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,277.10815,[M-H]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514060,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,323.11363,[M+FA]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514061,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,323.11363,[M+FA]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514062,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,323.11363,[M+FA]-,60.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514063,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,323.11363,[M+FA]-,15.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514064,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12,323.11363,[M+FA]-,20.0,test,C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12
514065,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,243.10158,[M+H-2H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514066,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,243.10158,[M+H-2H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514067,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,243.10158,[M+H-2H2O]+,60.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514068,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,243.10158,[M+H-2H2O]+,30.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514069,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,243.10158,[M+H-2H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514070,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,261.11214,[M+H-H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514071,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,261.11214,[M+H-H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514072,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,261.11214,[M+H-H2O]+,15.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514073,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,261.11214,[M+H-H2O]+,60.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514074,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,261.11214,[M+H-H2O]+,30.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514075,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,261.11214,[M+H-H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514076,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,261.11214,[M+H-H2O]+,60.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514077,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,261.11214,[M+H-H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514078,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,301.10464,[M+Na]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514079,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,301.10464,[M+Na]+,60.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514080,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,301.10464,[M+Na]+,30.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514081,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O,301.10464,[M+Na]+,20.0,test,COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
514082,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,243.10158,[M+H-2H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514083,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,243.10158,[M+H-2H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514084,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,243.10158,[M+H-2H2O]+,60.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514085,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,243.10158,[M+H-2H2O]+,30.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514086,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,243.10158,[M+H-2H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514087,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,261.11214,[M+H-H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514088,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,261.11214,[M+H-H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514089,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,261.11214,[M+H-H2O]+,60.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514090,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,261.11214,[M+H-H2O]+,15.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514091,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,261.11214,[M+H-H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514092,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,261.11214,[M+H-H2O]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514093,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,261.11214,[M+H-H2O]+,60.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514094,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,261.11214,[M+H-H2O]+,15.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514095,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,296.14925,[M+NH4]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514096,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,296.14925,[M+NH4]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514097,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,296.14925,[M+NH4]+,60.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514098,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,296.14925,[M+NH4]+,15.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514099,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,296.14925,[M+NH4]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514100,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,301.10464,[M+Na]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514101,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,301.10464,[M+Na]+,60.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514102,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,301.10464,[M+Na]+,30.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514103,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O,301.10464,[M+Na]+,20.0,test,COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
514104,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,325.09606,[M-H]-,20.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514105,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,325.09606,[M-H]-,20.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514106,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,325.09606,[M-H]-,60.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514107,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,325.09606,[M-H]-,30.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514108,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,325.09606,[M-H]-,20.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514109,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,325.09606,[M-H]-,20.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514110,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,325.09606,[M-H]-,20.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514111,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,325.09606,[M-H]-,60.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514112,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,325.09606,[M-H]-,30.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514113,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,325.09606,[M-H]-,20.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514114,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,325.09606,[M-H]-,60.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514115,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,325.09606,[M-H]-,20.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514116,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,327.11061,[M+H]+,20.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514117,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,327.11061,[M+H]+,20.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514118,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,327.11061,[M+H]+,60.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514119,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,327.11061,[M+H]+,30.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514120,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,327.11061,[M+H]+,20.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514121,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,327.11061,[M+H]+,60.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514122,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,327.11061,[M+H]+,30.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514123,COc1c(Cl)cc(NC(=O)CN2CCCC2(C)C(=O)O)cc1,327.11061,[M+H]+,20.0,test,COc1ccc(NC(=O)CN2CCCC2(C)C(=O)O)cc1Cl
514124,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,327.11061,[M+H]+,20.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514125,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,327.11061,[M+H]+,20.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514126,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,327.11061,[M+H]+,60.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514127,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,327.11061,[M+H]+,15.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514128,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1,327.11061,[M+H]+,20.0,test,O=C(O)CCN(Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
514129,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl,309.08339,[M-H]-,20.0,test,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl
514130,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl,309.08339,[M-H]-,20.0,test,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl
514131,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl,309.08339,[M-H]-,60.0,test,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl
514132,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl,309.08339,[M-H]-,30.0,test,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl
514133,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl,309.08339,[M-H]-,20.0,test,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl
514134,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl,309.08339,[M-H]-,20.0,test,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl
514135,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl,309.08339,[M-H]-,30.0,test,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl
514136,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl,309.08339,[M-H]-,60.0,test,Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1Cl
514137,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21,311.09794,[M+H]+,20.0,test,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21
514138,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21,311.09794,[M+H]+,20.0,test,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21
514139,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21,311.09794,[M+H]+,60.0,test,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21
514140,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21,311.09794,[M+H]+,30.0,test,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21
514141,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21,311.09794,[M+H]+,20.0,test,Cn1c(C(=O)NC2CCCCCC2)cc2sc(Cl)cc21
514142,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1,335.13816,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1
514143,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1,335.13816,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1
514144,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1,335.13816,[M+H]+,60.0,test,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1
514145,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1,335.13816,[M+H]+,30.0,test,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1
514146,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1,335.13816,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1
514147,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,417.15036,[M+FA]-,20.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514148,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,417.15036,[M+FA]-,60.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514149,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,417.15036,[M+FA]-,15.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514150,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,417.15036,[M+FA]-,20.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514151,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,373.15943,[M+H]+,30.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514152,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,373.15943,[M+H]+,30.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514153,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,373.15943,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514154,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,373.15943,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514155,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,373.15943,[M+H]+,30.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514156,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,373.15943,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514157,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,373.15943,[M+H]+,30.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514158,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,373.15943,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
514159,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,323.14126,[M+FA]-,30.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514160,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,323.14126,[M+FA]-,30.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514161,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,323.14126,[M+FA]-,20.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514162,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,323.14126,[M+FA]-,60.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514163,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,323.14126,[M+FA]-,30.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514164,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,279.15033,[M+H]+,20.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514165,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,279.15033,[M+H]+,20.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514166,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,279.15033,[M+H]+,60.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514167,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,279.15033,[M+H]+,30.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514168,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1,279.15033,[M+H]+,20.0,test,O=C(NC1CC(c2ccccc2F)C1)N1CC(CO)C1
514169,Cc1c(C)sc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)n1,338.09914,[M+H]+,20.0,test,Cc1nc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)sc1C
514170,Cc1c(C)sc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)n1,338.09914,[M+H]+,20.0,test,Cc1nc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)sc1C
514171,Cc1c(C)sc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)n1,338.09914,[M+H]+,60.0,test,Cc1nc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)sc1C
514172,Cc1c(C)sc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)n1,338.09914,[M+H]+,30.0,test,Cc1nc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)sc1C
514173,Cc1c(C)sc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)n1,338.09914,[M+H]+,20.0,test,Cc1nc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)sc1C
514174,Cc1c(C)sc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)n1,338.09914,[M+H]+,60.0,test,Cc1nc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)sc1C
514175,Cc1c(C)sc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)n1,338.09914,[M+H]+,30.0,test,Cc1nc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)sc1C
514176,Cc1c(C)sc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)n1,338.09914,[M+H]+,20.0,test,Cc1nc(C2CCCN(Cc3nc(C(=O)O)cs3)C2)sc1C
514177,CC1(C)CN(c2c3c4c(CCC4)sc3ncn2)CCS1(=O)=O,338.09914,[M+H]+,20.0,test,CC1(C)CN(c2ncnc3sc4c(c23)CCC4)CCS1(=O)=O
514178,CC1(C)CN(c2c3c4c(CCC4)sc3ncn2)CCS1(=O)=O,338.09914,[M+H]+,20.0,test,CC1(C)CN(c2ncnc3sc4c(c23)CCC4)CCS1(=O)=O
514179,CC1(C)CN(c2c3c4c(CCC4)sc3ncn2)CCS1(=O)=O,338.09914,[M+H]+,60.0,test,CC1(C)CN(c2ncnc3sc4c(c23)CCC4)CCS1(=O)=O
514180,CC1(C)CN(c2c3c4c(CCC4)sc3ncn2)CCS1(=O)=O,338.09914,[M+H]+,20.0,test,CC1(C)CN(c2ncnc3sc4c(c23)CCC4)CCS1(=O)=O
514181,CC1(C)CN(c2c3c4c(CCC4)sc3ncn2)CCS1(=O)=O,338.09914,[M+H]+,60.0,test,CC1(C)CN(c2ncnc3sc4c(c23)CCC4)CCS1(=O)=O
514182,CC1(C)CN(c2c3c4c(CCC4)sc3ncn2)CCS1(=O)=O,338.09914,[M+H]+,20.0,test,CC1(C)CN(c2ncnc3sc4c(c23)CCC4)CCS1(=O)=O
514183,CS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)cc1,338.09914,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1
514184,CS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)cc1,338.09914,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1
514185,CS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)cc1,338.09914,[M+H]+,30.0,test,CS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1
514186,CS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)cc1,338.09914,[M+H]+,60.0,test,CS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1
514187,CS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)cc1,338.09914,[M+H]+,15.0,test,CS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1
514188,CS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)cc1,338.09914,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1
514189,CS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)cc1,338.09914,[M+H]+,60.0,test,CS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1
514190,CS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)cc1,338.09914,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1
514191,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cn(C)nc3)C2)s1,338.09914,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cnn(C)c3)C2)s1
514192,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cn(C)nc3)C2)s1,338.09914,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cnn(C)c3)C2)s1
514193,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cn(C)nc3)C2)s1,338.09914,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cnn(C)c3)C2)s1
514194,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cn(C)nc3)C2)s1,338.09914,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cnn(C)c3)C2)s1
514195,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cn(C)nc3)C2)s1,338.09914,[M+H]+,45.0,test,Cc1cc(C)c(S(=O)(=O)N2CCC=C(c3cnn(C)c3)C2)s1
514196,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1,338.09914,[M+H]+,20.0,test,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1
514197,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1,338.09914,[M+H]+,20.0,test,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1
514198,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1,338.09914,[M+H]+,60.0,test,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1
514199,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1,338.09914,[M+H]+,30.0,test,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1
514200,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1,338.09914,[M+H]+,20.0,test,O=S(=O)(Cc1ccccc1)NCC1CCCN1c1nccs1
514201,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,20.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514202,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,20.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514203,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,60.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514204,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,15.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514205,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,20.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514206,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,20.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514207,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,20.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514208,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,60.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514209,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,30.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514210,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,20.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514211,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,30.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514212,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,20.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514213,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1,338.09914,[M+H]+,60.0,test,CC1CCN(Cc2nnc(SCC(=O)c3cccs3)o2)CC1
514214,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1,338.09914,[M+H]+,20.0,test,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1
514215,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1,338.09914,[M+H]+,20.0,test,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1
514216,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1,338.09914,[M+H]+,45.0,test,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1
514217,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1,338.09914,[M+H]+,60.0,test,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1
514218,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1,338.09914,[M+H]+,20.0,test,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1
514219,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1,338.09914,[M+H]+,45.0,test,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1
514220,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1,338.09914,[M+H]+,60.0,test,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1
514221,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1,338.09914,[M+H]+,20.0,test,CN(CC1CN(c2nc3ccccc3s2)C1)S(=O)(=O)C1CC1
514222,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1,338.09914,[M+H]+,20.0,test,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1
514223,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1,338.09914,[M+H]+,20.0,test,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1
514224,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1,338.09914,[M+H]+,60.0,test,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1
514225,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1,338.09914,[M+H]+,15.0,test,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1
514226,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1,338.09914,[M+H]+,20.0,test,Cc1cc2c(=O)n(C)c(SCC(=O)NC3CCCC3)nc2s1
514227,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1,320.08858,[M+H-H2O]+,20.0,test,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1
514228,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1,320.08858,[M+H-H2O]+,20.0,test,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1
514229,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1,320.08858,[M+H-H2O]+,45.0,test,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1
514230,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1,320.08858,[M+H-H2O]+,60.0,test,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1
514231,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1,320.08858,[M+H-H2O]+,20.0,test,CCCCOc1cccc(C(=O)NC(=S)NC2=NCCS2)c1
514232,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1,338.09914,[M+H]+,20.0,test,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1
514233,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1,338.09914,[M+H]+,20.0,test,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1
514234,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1,338.09914,[M+H]+,60.0,test,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1
514235,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1,338.09914,[M+H]+,30.0,test,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1
514236,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1,338.09914,[M+H]+,20.0,test,Cn1cnc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)c1
514237,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,351.1116,[M]+,20.0,test,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
514238,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,351.1116,[M]+,20.0,test,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
514239,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,351.1116,[M]+,60.0,test,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
514240,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,351.1116,[M]+,30.0,test,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
514241,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,351.1116,[M]+,20.0,test,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
514242,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,351.1116,[M]+,60.0,test,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
514243,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,351.1116,[M]+,30.0,test,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
514244,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,351.1116,[M]+,20.0,test,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
514245,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,332.11867,[M-H]-,20.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514246,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,332.11867,[M-H]-,20.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514247,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,332.11867,[M-H]-,60.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514248,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,332.11867,[M-H]-,20.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514249,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,332.11867,[M-H]-,45.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514250,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,332.11867,[M-H]-,60.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514251,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,332.11867,[M-H]-,20.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514252,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,332.11867,[M-H]-,45.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514253,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,334.13322,[M+H]+,20.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514254,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,334.13322,[M+H]+,20.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514255,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,334.13322,[M+H]+,60.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514256,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,334.13322,[M+H]+,20.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514257,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,334.13322,[M+H]+,45.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514258,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,334.13322,[M+H]+,60.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514259,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,334.13322,[M+H]+,20.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514260,C=CCNc1n[nH]c(-c2cc(S(=O)(=O)N3CCCC3)ccc2)n1,334.13322,[M+H]+,45.0,test,C=CCNc1n[nH]c(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1
514261,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,332.11867,[M-H]-,20.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514262,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,332.11867,[M-H]-,20.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514263,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,332.11867,[M-H]-,60.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514264,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,332.11867,[M-H]-,30.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514265,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,332.11867,[M-H]-,20.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514266,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,332.11867,[M-H]-,20.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514267,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,332.11867,[M-H]-,30.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514268,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,332.11867,[M-H]-,60.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514269,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1,334.13322,[M+H]+,20.0,test,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1
514270,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1,334.13322,[M+H]+,20.0,test,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1
514271,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1,334.13322,[M+H]+,60.0,test,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1
514272,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1,334.13322,[M+H]+,30.0,test,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1
514273,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1,334.13322,[M+H]+,20.0,test,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1
514274,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1,334.13322,[M+H]+,30.0,test,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1
514275,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1,334.13322,[M+H]+,20.0,test,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1
514276,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1,334.13322,[M+H]+,60.0,test,CN(C)c1ccc(OC2CCN(C(=O)Nc3cccs3)C2)nn1
514277,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,334.13322,[M+H]+,20.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514278,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,334.13322,[M+H]+,20.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514279,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,334.13322,[M+H]+,60.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514280,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,334.13322,[M+H]+,15.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514281,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1,334.13322,[M+H]+,20.0,test,CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1
514282,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1,334.13322,[M+H]+,20.0,test,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1
514283,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1,334.13322,[M+H]+,20.0,test,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1
514284,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1,334.13322,[M+H]+,60.0,test,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1
514285,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1,334.13322,[M+H]+,15.0,test,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1
514286,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1,334.13322,[M+H]+,20.0,test,Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCOCC1
514287,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1,294.11584,[M+H]+,30.0,test,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1
514288,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1,294.11584,[M+H]+,30.0,test,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1
514289,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1,294.11584,[M+H]+,20.0,test,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1
514290,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1,294.11584,[M+H]+,60.0,test,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1
514291,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1,294.11584,[M+H]+,30.0,test,Cc1noc(C)c1CS(=O)(=O)c1ccc(C(C)C)cc1
514292,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1,347.09908,[M+H]+,20.0,test,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1
514293,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1,347.09908,[M+H]+,20.0,test,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1
514294,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1,347.09908,[M+H]+,45.0,test,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1
514295,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1,347.09908,[M+H]+,60.0,test,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1
514296,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1,347.09908,[M+H]+,20.0,test,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1
514297,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1,347.09908,[M+H]+,60.0,test,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1
514298,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1,347.09908,[M+H]+,45.0,test,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1
514299,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1,347.09908,[M+H]+,20.0,test,O=S(=O)(NC1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1
514300,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,346.1384,[M-H]-,20.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514301,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,346.1384,[M-H]-,20.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514302,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,346.1384,[M-H]-,60.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514303,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,346.1384,[M-H]-,30.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514304,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,346.1384,[M-H]-,20.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514305,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,346.1384,[M-H]-,60.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514306,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,346.1384,[M-H]-,30.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514307,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,346.1384,[M-H]-,20.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514308,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,346.1384,[M-H]-,20.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514309,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,346.1384,[M-H]-,20.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514310,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,346.1384,[M-H]-,30.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514311,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,346.1384,[M-H]-,60.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514312,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,346.1384,[M-H]-,20.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514313,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,346.1384,[M-H]-,45.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514314,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,346.1384,[M-H]-,60.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514315,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,346.1384,[M-H]-,20.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514316,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,346.1384,[M-H]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514317,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,346.1384,[M-H]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514318,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,346.1384,[M-H]-,60.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514319,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,346.1384,[M-H]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514320,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,346.1384,[M-H]-,45.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514321,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,346.1384,[M-H]-,60.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514322,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,346.1384,[M-H]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514323,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,346.1384,[M-H]-,45.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514324,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,382.11508,[M+Cl]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514325,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,382.11508,[M+Cl]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514326,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,382.11508,[M+Cl]-,60.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514327,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,382.11508,[M+Cl]-,30.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514328,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,382.11508,[M+Cl]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514329,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,382.11508,[M+Cl]-,60.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514330,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,392.14388,[M+FA]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514331,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,392.14388,[M+FA]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514332,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,392.14388,[M+FA]-,60.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514333,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,392.14388,[M+FA]-,15.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514334,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,392.14388,[M+FA]-,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514335,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,348.15295,[M+H]+,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514336,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,348.15295,[M+H]+,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514337,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,348.15295,[M+H]+,60.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514338,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,348.15295,[M+H]+,30.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514339,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,348.15295,[M+H]+,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514340,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,348.15295,[M+H]+,60.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514341,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,348.15295,[M+H]+,30.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514342,C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(C(F)(F)F)ncc2)N1C,348.15295,[M+H]+,20.0,test,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(C(F)(F)F)c2)N1C
514343,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,348.15295,[M+H]+,20.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514344,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,348.15295,[M+H]+,20.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514345,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,348.15295,[M+H]+,60.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514346,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,348.15295,[M+H]+,30.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514347,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,348.15295,[M+H]+,20.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514348,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,348.15295,[M+H]+,60.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514349,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,348.15295,[M+H]+,30.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514350,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1,348.15295,[M+H]+,20.0,test,Cn1cc(CC(=O)N2CCCC(CCC(=O)O)C2)c(C(F)(F)F)n1
514351,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,348.15295,[M+H]+,20.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514352,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,348.15295,[M+H]+,20.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514353,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,348.15295,[M+H]+,60.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514354,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,348.15295,[M+H]+,30.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514355,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,348.15295,[M+H]+,20.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514356,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,348.15295,[M+H]+,60.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514357,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,348.15295,[M+H]+,30.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514358,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1,348.15295,[M+H]+,20.0,test,Cn1nc(C(F)(F)F)cc1CC(=O)N1CCCC(CCC(=O)O)C1
514359,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,352.1249,[M-H]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514360,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,352.1249,[M-H]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514361,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,352.1249,[M-H]-,60.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514362,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,352.1249,[M-H]-,30.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514363,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,352.1249,[M-H]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514364,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,352.1249,[M-H]-,60.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514365,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,352.1249,[M-H]-,30.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514366,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,352.1249,[M-H]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514367,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,388.10158,[M+Cl]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514368,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,388.10158,[M+Cl]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514369,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,388.10158,[M+Cl]-,60.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514370,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,388.10158,[M+Cl]-,15.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514371,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,388.10158,[M+Cl]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514372,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,398.13038,[M+FA]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514373,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,398.13038,[M+FA]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514374,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,398.13038,[M+FA]-,60.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514375,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,398.13038,[M+FA]-,15.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514376,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,398.13038,[M+FA]-,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514377,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,354.13945,[M+H]+,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514378,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,354.13945,[M+H]+,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514379,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,354.13945,[M+H]+,60.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514380,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,354.13945,[M+H]+,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514381,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,354.13945,[M+H]+,45.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514382,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,354.13945,[M+H]+,60.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514383,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,354.13945,[M+H]+,20.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514384,CC(C)NS(=O)(=O)N1CCN(c2c3cccc(F)c3ncn2)CC1,354.13945,[M+H]+,45.0,test,CC(C)NS(=O)(=O)N1CCN(c2ncnc3c(F)cccc23)CC1
514385,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cc(F)ccc1,328.10243,[M-H]-,20.0,test,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
514386,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cc(F)ccc1,328.10243,[M-H]-,20.0,test,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
514387,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cc(F)ccc1,328.10243,[M-H]-,60.0,test,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
514388,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cc(F)ccc1,328.10243,[M-H]-,20.0,test,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
514389,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cc(F)ccc1,328.10243,[M-H]-,45.0,test,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
514390,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cc(F)ccc1,328.10243,[M-H]-,60.0,test,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
514391,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cc(F)ccc1,328.10243,[M-H]-,20.0,test,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
514392,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cc(F)ccc1,328.10243,[M-H]-,45.0,test,O=C(CCC1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
514393,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,323.12486,[M-H]-,20.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514394,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,323.12486,[M-H]-,20.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514395,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,323.12486,[M-H]-,60.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514396,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,323.12486,[M-H]-,15.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514397,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,323.12486,[M-H]-,20.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514398,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,325.13941,[M+H]+,20.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514399,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,325.13941,[M+H]+,20.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514400,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,325.13941,[M+H]+,60.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514401,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,325.13941,[M+H]+,30.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514402,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1,325.13941,[M+H]+,20.0,test,COc1ccc(OCCNC(=O)N2CCOC(C(=O)O)C2)cc1
514403,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,317.16191,[M+FA]-,15.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514404,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,317.16191,[M+FA]-,15.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514405,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,317.16191,[M+FA]-,20.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514406,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,317.16191,[M+FA]-,60.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514407,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,317.16191,[M+FA]-,15.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514408,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,271.15643,[M-H]-,20.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514409,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,271.15643,[M-H]-,20.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514410,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,271.15643,[M-H]-,60.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514411,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,271.15643,[M-H]-,20.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514412,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,271.15643,[M-H]-,45.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514413,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C,273.17099,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C
514414,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C,273.17099,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C
514415,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C,273.17099,[M+H]+,15.0,test,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C
514416,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C,273.17099,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C
514417,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C,273.17099,[M+H]+,30.0,test,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C
514418,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C,273.17099,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C
514419,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C,273.17099,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C
514420,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C,273.17099,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)n1C
514421,CCc1c(C(C)NC(=O)c2cc(C)nn2C)ccnc1,273.17099,[M+H]+,20.0,test,CCc1cnccc1C(C)NC(=O)c1cc(C)nn1C
514422,CCc1c(C(C)NC(=O)c2cc(C)nn2C)ccnc1,273.17099,[M+H]+,20.0,test,CCc1cnccc1C(C)NC(=O)c1cc(C)nn1C
514423,CCc1c(C(C)NC(=O)c2cc(C)nn2C)ccnc1,273.17099,[M+H]+,60.0,test,CCc1cnccc1C(C)NC(=O)c1cc(C)nn1C
514424,CCc1c(C(C)NC(=O)c2cc(C)nn2C)ccnc1,273.17099,[M+H]+,20.0,test,CCc1cnccc1C(C)NC(=O)c1cc(C)nn1C
514425,CCc1c(C(C)NC(=O)c2cc(C)nn2C)ccnc1,273.17099,[M+H]+,45.0,test,CCc1cnccc1C(C)NC(=O)c1cc(C)nn1C
514426,CCc1c(C(C)NC(=O)c2cc(C)nn2C)ccnc1,273.17099,[M+H]+,60.0,test,CCc1cnccc1C(C)NC(=O)c1cc(C)nn1C
514427,CCc1c(C(C)NC(=O)c2cc(C)nn2C)ccnc1,273.17099,[M+H]+,20.0,test,CCc1cnccc1C(C)NC(=O)c1cc(C)nn1C
514428,CCc1c(C(C)NC(=O)c2cc(C)nn2C)ccnc1,273.17099,[M+H]+,45.0,test,CCc1cnccc1C(C)NC(=O)c1cc(C)nn1C
514429,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,273.17099,[M+H]+,20.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514430,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,273.17099,[M+H]+,20.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514431,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,273.17099,[M+H]+,60.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514432,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,273.17099,[M+H]+,15.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514433,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,273.17099,[M+H]+,20.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514434,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,273.17099,[M+H]+,60.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514435,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,273.17099,[M+H]+,15.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514436,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C,273.17099,[M+H]+,20.0,test,CN(Cc1ncn[nH]1)C(=O)c1ccccc1C(C)(C)C
514437,CCc1c(NC(=O)c2nn(C)c(C(C)C)c2)nccc1,273.17099,[M+H]+,20.0,test,CCc1cccnc1NC(=O)c1cc(C(C)C)n(C)n1
514438,CCc1c(NC(=O)c2nn(C)c(C(C)C)c2)nccc1,273.17099,[M+H]+,20.0,test,CCc1cccnc1NC(=O)c1cc(C(C)C)n(C)n1
514439,CCc1c(NC(=O)c2nn(C)c(C(C)C)c2)nccc1,273.17099,[M+H]+,60.0,test,CCc1cccnc1NC(=O)c1cc(C(C)C)n(C)n1
514440,CCc1c(NC(=O)c2nn(C)c(C(C)C)c2)nccc1,273.17099,[M+H]+,30.0,test,CCc1cccnc1NC(=O)c1cc(C(C)C)n(C)n1
514441,CCc1c(NC(=O)c2nn(C)c(C(C)C)c2)nccc1,273.17099,[M+H]+,20.0,test,CCc1cccnc1NC(=O)c1cc(C(C)C)n(C)n1
514442,CCc1c(NC(=O)c2nn(C)c(C(C)C)c2)nccc1,273.17099,[M+H]+,60.0,test,CCc1cccnc1NC(=O)c1cc(C(C)C)n(C)n1
514443,CCc1c(NC(=O)c2nn(C)c(C(C)C)c2)nccc1,273.17099,[M+H]+,30.0,test,CCc1cccnc1NC(=O)c1cc(C(C)C)n(C)n1
514444,CCc1c(NC(=O)c2nn(C)c(C(C)C)c2)nccc1,273.17099,[M+H]+,20.0,test,CCc1cccnc1NC(=O)c1cc(C(C)C)n(C)n1
514445,CC(c1ccncc1)N(C)C(=O)c1nn(C(C)C)cc1,273.17099,[M+H]+,20.0,test,CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
514446,CC(c1ccncc1)N(C)C(=O)c1nn(C(C)C)cc1,273.17099,[M+H]+,20.0,test,CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
514447,CC(c1ccncc1)N(C)C(=O)c1nn(C(C)C)cc1,273.17099,[M+H]+,30.0,test,CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
514448,CC(c1ccncc1)N(C)C(=O)c1nn(C(C)C)cc1,273.17099,[M+H]+,60.0,test,CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
514449,CC(c1ccncc1)N(C)C(=O)c1nn(C(C)C)cc1,273.17099,[M+H]+,20.0,test,CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
514450,CC(c1ccncc1)N(C)C(=O)c1nn(C(C)C)cc1,273.17099,[M+H]+,45.0,test,CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
514451,CC(c1ccncc1)N(C)C(=O)c1nn(C(C)C)cc1,273.17099,[M+H]+,60.0,test,CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
514452,CC(c1ccncc1)N(C)C(=O)c1nn(C(C)C)cc1,273.17099,[M+H]+,20.0,test,CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
514453,COc1cc2nc(C)c(N3CCN(C)CC3)nc2cc1,273.17099,[M+H]+,20.0,test,COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1
514454,COc1cc2nc(C)c(N3CCN(C)CC3)nc2cc1,273.17099,[M+H]+,20.0,test,COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1
514455,COc1cc2nc(C)c(N3CCN(C)CC3)nc2cc1,273.17099,[M+H]+,30.0,test,COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1
514456,COc1cc2nc(C)c(N3CCN(C)CC3)nc2cc1,273.17099,[M+H]+,60.0,test,COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1
514457,COc1cc2nc(C)c(N3CCN(C)CC3)nc2cc1,273.17099,[M+H]+,20.0,test,COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1
514458,COc1cc2nc(C)c(N3CCN(C)CC3)nc2cc1,273.17099,[M+H]+,30.0,test,COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1
514459,COc1cc2nc(C)c(N3CCN(C)CC3)nc2cc1,273.17099,[M+H]+,60.0,test,COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1
514460,COc1cc2nc(C)c(N3CCN(C)CC3)nc2cc1,273.17099,[M+H]+,20.0,test,COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1
514461,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,273.17099,[M+H]+,20.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514462,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,273.17099,[M+H]+,20.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514463,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,273.17099,[M+H]+,60.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514464,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,273.17099,[M+H]+,30.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514465,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,273.17099,[M+H]+,20.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514466,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,273.17099,[M+H]+,60.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514467,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,273.17099,[M+H]+,30.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514468,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1,273.17099,[M+H]+,20.0,test,Cn1cc(NC(=O)NC(C)(C)C)c(-c2ccccc2)n1
514469,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,20.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514470,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,20.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514471,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,15.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514472,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,60.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514473,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,30.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514474,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,20.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514475,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,15.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514476,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,60.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514477,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1,273.17099,[M+H]+,20.0,test,CC1CN(Cc2nc(Cc3ccccc3)no2)CCN1
514478,O=c1[nH]c2c(nccc2)n1C1CCCN(CC2CC2)C1,273.17099,[M+H]+,20.0,test,O=c1[nH]c2cccnc2n1C1CCCN(CC2CC2)C1
514479,O=c1[nH]c2c(nccc2)n1C1CCCN(CC2CC2)C1,273.17099,[M+H]+,20.0,test,O=c1[nH]c2cccnc2n1C1CCCN(CC2CC2)C1
514480,O=c1[nH]c2c(nccc2)n1C1CCCN(CC2CC2)C1,273.17099,[M+H]+,30.0,test,O=c1[nH]c2cccnc2n1C1CCCN(CC2CC2)C1
514481,O=c1[nH]c2c(nccc2)n1C1CCCN(CC2CC2)C1,273.17099,[M+H]+,60.0,test,O=c1[nH]c2cccnc2n1C1CCCN(CC2CC2)C1
514482,O=c1[nH]c2c(nccc2)n1C1CCCN(CC2CC2)C1,273.17099,[M+H]+,20.0,test,O=c1[nH]c2cccnc2n1C1CCCN(CC2CC2)C1
514483,O=c1[nH]c2c(nccc2)n1C1CCCN(CC2CC2)C1,273.17099,[M+H]+,45.0,test,O=c1[nH]c2cccnc2n1C1CCCN(CC2CC2)C1
514484,O=c1[nH]c2c(nccc2)n1C1CCCN(CC2CC2)C1,273.17099,[M+H]+,60.0,test,O=c1[nH]c2cccnc2n1C1CCCN(CC2CC2)C1
514485,O=c1[nH]c2c(nccc2)n1C1CCCN(CC2CC2)C1,273.17099,[M+H]+,20.0,test,O=c1[nH]c2cccnc2n1C1CCCN(CC2CC2)C1
514486,O=C(Cn1ncc2c1nccc2)N1CCCCCCC1,273.17099,[M+H]+,20.0,test,O=C(Cn1ncc2cccnc21)N1CCCCCCC1
514487,O=C(Cn1ncc2c1nccc2)N1CCCCCCC1,273.17099,[M+H]+,20.0,test,O=C(Cn1ncc2cccnc21)N1CCCCCCC1
514488,O=C(Cn1ncc2c1nccc2)N1CCCCCCC1,273.17099,[M+H]+,60.0,test,O=C(Cn1ncc2cccnc21)N1CCCCCCC1
514489,O=C(Cn1ncc2c1nccc2)N1CCCCCCC1,273.17099,[M+H]+,20.0,test,O=C(Cn1ncc2cccnc21)N1CCCCCCC1
514490,O=C(Cn1ncc2c1nccc2)N1CCCCCCC1,273.17099,[M+H]+,45.0,test,O=C(Cn1ncc2cccnc21)N1CCCCCCC1
514491,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cnccc1,273.17099,[M+H]+,20.0,test,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cccnc1
514492,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cnccc1,273.17099,[M+H]+,20.0,test,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cccnc1
514493,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cnccc1,273.17099,[M+H]+,30.0,test,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cccnc1
514494,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cnccc1,273.17099,[M+H]+,60.0,test,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cccnc1
514495,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cnccc1,273.17099,[M+H]+,20.0,test,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cccnc1
514496,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cnccc1,273.17099,[M+H]+,45.0,test,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cccnc1
514497,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cnccc1,273.17099,[M+H]+,60.0,test,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cccnc1
514498,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cnccc1,273.17099,[M+H]+,20.0,test,Cc1nn(C)c(C)c1C(C)C(=O)NCc1cccnc1
514499,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1,317.15429,[M+H]+,20.0,test,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1
514500,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1,317.15429,[M+H]+,20.0,test,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1
514501,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1,317.15429,[M+H]+,60.0,test,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1
514502,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1,317.15429,[M+H]+,20.0,test,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1
514503,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1,317.15429,[M+H]+,20.0,test,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1
514504,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1,317.15429,[M+H]+,60.0,test,c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1
514505,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,379.14032,[M+Cl]-,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514506,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,379.14032,[M+Cl]-,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514507,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,379.14032,[M+Cl]-,60.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514508,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,379.14032,[M+Cl]-,15.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514509,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,379.14032,[M+Cl]-,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514510,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,389.16912,[M+FA]-,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514511,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,389.16912,[M+FA]-,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514512,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,389.16912,[M+FA]-,60.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514513,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,389.16912,[M+FA]-,15.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514514,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,389.16912,[M+FA]-,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514515,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,389.16912,[M+FA]-,60.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514516,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,389.16912,[M+FA]-,15.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514517,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,389.16912,[M+FA]-,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514518,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,345.1782,[M+H]+,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514519,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,345.1782,[M+H]+,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514520,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,345.1782,[M+H]+,60.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514521,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,345.1782,[M+H]+,15.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514522,CN(C)CC(=O)N1CCN(C(=O)c2ncc(-n3cnnn3)cc2)CC1,345.1782,[M+H]+,20.0,test,CN(C)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1
514523,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,343.10346,[M-H]-,20.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514524,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,343.10346,[M-H]-,20.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514525,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,343.10346,[M-H]-,60.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514526,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,343.10346,[M-H]-,30.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514527,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,343.10346,[M-H]-,20.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514528,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,343.10346,[M-H]-,20.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514529,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,343.10346,[M-H]-,20.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514530,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,343.10346,[M-H]-,60.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514531,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,343.10346,[M-H]-,30.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514532,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,343.10346,[M-H]-,20.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514533,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,343.10346,[M-H]-,60.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514534,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,343.10346,[M-H]-,30.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514535,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,343.10346,[M-H]-,20.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514536,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,379.08013,[M+Cl]-,20.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514537,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,379.08013,[M+Cl]-,20.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514538,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,379.08013,[M+Cl]-,60.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514539,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,379.08013,[M+Cl]-,15.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514540,O=C(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc1,379.08013,[M+Cl]-,20.0,test,O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514541,COC(=O)c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,389.10893,[M+FA]-,20.0,test,COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
514542,COC(=O)c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,389.10893,[M+FA]-,20.0,test,COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
514543,COC(=O)c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,389.10893,[M+FA]-,60.0,test,COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
514544,COC(=O)c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,389.10893,[M+FA]-,15.0,test,COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
514545,COC(=O)c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,389.10893,[M+FA]-,20.0,test,COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
514546,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,362.14455,[M+NH4]+,20.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514547,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,362.14455,[M+NH4]+,20.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514548,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,362.14455,[M+NH4]+,60.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514549,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,362.14455,[M+NH4]+,15.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514550,O=C(O)CCc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1,362.14455,[M+NH4]+,20.0,test,O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
514551,CC(C)c1cc(S(=O)(=O)NC2CCCCNC2=O)c(Cl)cc1,345.10342,[M+H]+,30.0,test,CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCCCNC2=O)c1
514552,CC(C)c1cc(S(=O)(=O)NC2CCCCNC2=O)c(Cl)cc1,345.10342,[M+H]+,30.0,test,CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCCCNC2=O)c1
514553,CC(C)c1cc(S(=O)(=O)NC2CCCCNC2=O)c(Cl)cc1,345.10342,[M+H]+,20.0,test,CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCCCNC2=O)c1
514554,CC(C)c1cc(S(=O)(=O)NC2CCCCNC2=O)c(Cl)cc1,345.10342,[M+H]+,60.0,test,CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCCCNC2=O)c1
514555,CC(C)c1cc(S(=O)(=O)NC2CCCCNC2=O)c(Cl)cc1,345.10342,[M+H]+,30.0,test,CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCCCNC2=O)c1
514556,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,20.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514557,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,20.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514558,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,60.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514559,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,15.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514560,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,20.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514561,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,343.08886,[M-H]-,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514562,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,343.08886,[M-H]-,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514563,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,343.08886,[M-H]-,45.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514564,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,343.08886,[M-H]-,60.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514565,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,343.08886,[M-H]-,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514566,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,379.06554,[M+Cl]-,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514567,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,379.06554,[M+Cl]-,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514568,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,379.06554,[M+Cl]-,60.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514569,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,379.06554,[M+Cl]-,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514570,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,15.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514571,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,15.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514572,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,20.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514573,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,60.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514574,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,345.10342,[M+H]+,15.0,test,CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
514575,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl,345.10342,[M+H]+,20.0,test,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl
514576,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl,345.10342,[M+H]+,20.0,test,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl
514577,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl,345.10342,[M+H]+,45.0,test,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl
514578,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl,345.10342,[M+H]+,60.0,test,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl
514579,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl,345.10342,[M+H]+,20.0,test,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl
514580,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl,345.10342,[M+H]+,45.0,test,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl
514581,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl,345.10342,[M+H]+,60.0,test,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl
514582,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl,345.10342,[M+H]+,20.0,test,O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl
514583,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,345.10342,[M+H]+,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514584,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,345.10342,[M+H]+,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514585,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,345.10342,[M+H]+,60.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514586,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,345.10342,[M+H]+,30.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514587,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1,345.10342,[M+H]+,20.0,test,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
514588,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1,345.10342,[M+H]+,20.0,test,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1
514589,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1,345.10342,[M+H]+,20.0,test,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1
514590,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1,345.10342,[M+H]+,45.0,test,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1
514591,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1,345.10342,[M+H]+,60.0,test,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1
514592,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1,345.10342,[M+H]+,20.0,test,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1
514593,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1,345.10342,[M+H]+,45.0,test,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1
514594,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1,345.10342,[M+H]+,20.0,test,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1
514595,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1,345.10342,[M+H]+,60.0,test,O=S(=O)(c1cccc(Cl)c1)N1CCCN(C2CCOC2)CC1
514596,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1,345.10342,[M+H]+,20.0,test,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1
514597,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1,345.10342,[M+H]+,20.0,test,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1
514598,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1,345.10342,[M+H]+,60.0,test,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1
514599,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1,345.10342,[M+H]+,30.0,test,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1
514600,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1,345.10342,[M+H]+,20.0,test,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1
514601,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1,345.10342,[M+H]+,60.0,test,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1
514602,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1,345.10342,[M+H]+,30.0,test,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1
514603,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1,345.10342,[M+H]+,20.0,test,CC1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1
514604,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C,303.16787,[M+H]+,20.0,test,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C
514605,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C,303.16787,[M+H]+,20.0,test,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C
514606,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C,303.16787,[M+H]+,45.0,test,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C
514607,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C,303.16787,[M+H]+,60.0,test,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C
514608,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C,303.16787,[M+H]+,20.0,test,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C
514609,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C,303.16787,[M+H]+,60.0,test,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C
514610,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C,303.16787,[M+H]+,45.0,test,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C
514611,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C,303.16787,[M+H]+,20.0,test,COc1c(C)cnc(CN2CCC(C(F)(F)F)CC2)c1C
514612,FC(F)(F)c1ccccc1CNCCCN1CCOCC1,303.16787,[M+H]+,20.0,test,FC(F)(F)c1ccccc1CNCCCN1CCOCC1
514613,FC(F)(F)c1ccccc1CNCCCN1CCOCC1,303.16787,[M+H]+,20.0,test,FC(F)(F)c1ccccc1CNCCCN1CCOCC1
514614,FC(F)(F)c1ccccc1CNCCCN1CCOCC1,303.16787,[M+H]+,60.0,test,FC(F)(F)c1ccccc1CNCCCN1CCOCC1
514615,FC(F)(F)c1ccccc1CNCCCN1CCOCC1,303.16787,[M+H]+,30.0,test,FC(F)(F)c1ccccc1CNCCCN1CCOCC1
514616,FC(F)(F)c1ccccc1CNCCCN1CCOCC1,303.16787,[M+H]+,20.0,test,FC(F)(F)c1ccccc1CNCCCN1CCOCC1
514617,FC(F)(F)c1ccccc1CNCCCN1CCOCC1,303.16787,[M+H]+,30.0,test,FC(F)(F)c1ccccc1CNCCCN1CCOCC1
514618,FC(F)(F)c1ccccc1CNCCCN1CCOCC1,303.16787,[M+H]+,60.0,test,FC(F)(F)c1ccccc1CNCCCN1CCOCC1
514619,FC(F)(F)c1ccccc1CNCCCN1CCOCC1,303.16787,[M+H]+,20.0,test,FC(F)(F)c1ccccc1CNCCCN1CCOCC1
514620,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514621,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514622,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,60.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514623,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514624,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,45.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514625,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,60.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514626,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514627,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,45.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514628,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514629,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514630,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,45.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514631,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,60.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514632,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514633,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,20.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514634,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,60.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514635,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1,337.16052,[M+H]+,45.0,test,Cc1nnc(N2CCN(c3ncnc(C(C)(C)C)c3F)CC2)s1
514636,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,396.15247,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514637,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,396.15247,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514638,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,396.15247,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514639,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,396.15247,[M+FA]-,15.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514640,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,396.15247,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514641,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,386.12367,[M+Cl]-,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514642,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,386.12367,[M+Cl]-,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514643,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,386.12367,[M+Cl]-,15.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514644,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,386.12367,[M+Cl]-,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514645,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,396.15247,[M+FA]-,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514646,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,396.15247,[M+FA]-,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514647,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,396.15247,[M+FA]-,60.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514648,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,396.15247,[M+FA]-,15.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514649,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,396.15247,[M+FA]-,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514650,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,352.16154,[M+H]+,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514651,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,352.16154,[M+H]+,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514652,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,352.16154,[M+H]+,60.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514653,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,352.16154,[M+H]+,30.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514654,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,352.16154,[M+H]+,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514655,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,352.16154,[M+H]+,60.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514656,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,352.16154,[M+H]+,30.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514657,C/C(=C\CNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1)CO,352.16154,[M+H]+,20.0,test,C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
514658,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,352.16154,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514659,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,352.16154,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514660,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,352.16154,[M+H]+,60.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514661,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,352.16154,[M+H]+,30.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514662,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,352.16154,[M+H]+,20.0,test,OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O
514663,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,352.16154,[M+H]+,20.0,test,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
514664,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,352.16154,[M+H]+,20.0,test,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
514665,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,352.16154,[M+H]+,60.0,test,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
514666,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,352.16154,[M+H]+,30.0,test,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
514667,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,352.16154,[M+H]+,20.0,test,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
514668,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,352.16154,[M+H]+,60.0,test,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
514669,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,352.16154,[M+H]+,30.0,test,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
514670,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,352.16154,[M+H]+,20.0,test,COC(=O)C(C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
514671,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,278.13869,[M+H-H2O]+,20.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514672,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,278.13869,[M+H-H2O]+,20.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514673,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,278.13869,[M+H-H2O]+,60.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514674,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,278.13869,[M+H-H2O]+,30.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514675,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,278.13869,[M+H-H2O]+,20.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514676,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,296.14925,[M+H]+,20.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514677,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,296.14925,[M+H]+,20.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514678,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,296.14925,[M+H]+,60.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514679,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,296.14925,[M+H]+,15.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514680,COc1c2CNC(=O)c2cc(OCC(O)C(C)(C)O)c1C,296.14925,[M+H]+,20.0,test,COc1c(C)c(OCC(O)C(C)(C)O)cc2c1CNC2=O
514681,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1,294.1347,[M-H]-,20.0,test,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1
514682,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1,294.1347,[M-H]-,20.0,test,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1
514683,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1,294.1347,[M-H]-,60.0,test,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1
514684,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1,294.1347,[M-H]-,15.0,test,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1
514685,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1,294.1347,[M-H]-,20.0,test,COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1
514686,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl,348.10308,[M+H]+,20.0,test,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl
514687,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl,348.10308,[M+H]+,20.0,test,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl
514688,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl,348.10308,[M+H]+,60.0,test,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl
514689,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl,348.10308,[M+H]+,15.0,test,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl
514690,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl,348.10308,[M+H]+,20.0,test,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl
514691,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,341.11767,[M-H]-,20.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514692,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,341.11767,[M-H]-,20.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514693,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,341.11767,[M-H]-,60.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514694,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,341.11767,[M-H]-,20.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514695,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,341.11767,[M-H]-,45.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514696,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,341.11767,[M-H]-,60.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514697,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,341.11767,[M-H]-,20.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514698,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,341.11767,[M-H]-,45.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514699,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514700,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514701,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,341.11767,[M-H]-,60.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514702,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,341.11767,[M-H]-,30.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514703,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514704,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,341.11767,[M-H]-,60.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514705,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,341.11767,[M-H]-,30.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514706,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514707,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,341.11767,[M-H]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514708,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,341.11767,[M-H]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514709,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,341.11767,[M-H]-,60.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514710,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,341.11767,[M-H]-,20.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514711,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,341.11767,[M-H]-,45.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514712,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,387.12315,[M+FA]-,20.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514713,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,387.12315,[M+FA]-,20.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514714,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,387.12315,[M+FA]-,60.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514715,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,387.12315,[M+FA]-,15.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514716,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,387.12315,[M+FA]-,20.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514717,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1,341.11767,[M-H]-,20.0,test,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1
514718,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1,341.11767,[M-H]-,20.0,test,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1
514719,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1,341.11767,[M-H]-,60.0,test,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1
514720,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1,341.11767,[M-H]-,30.0,test,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1
514721,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1,341.11767,[M-H]-,20.0,test,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1
514722,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1,341.11767,[M-H]-,60.0,test,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1
514723,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1,341.11767,[M-H]-,30.0,test,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1
514724,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1,341.11767,[M-H]-,20.0,test,CN(CCOc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1
514725,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514726,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514727,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,341.11767,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514728,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,341.11767,[M-H]-,30.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514729,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514730,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,341.11767,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514731,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,341.11767,[M-H]-,30.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514732,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514733,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,341.11767,[M-H]-,20.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514734,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,341.11767,[M-H]-,20.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514735,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,341.11767,[M-H]-,60.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514736,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,341.11767,[M-H]-,30.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514737,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,341.11767,[M-H]-,20.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514738,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,341.11767,[M-H]-,60.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514739,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,341.11767,[M-H]-,30.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514740,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,341.11767,[M-H]-,20.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514741,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,341.11767,[M-H]-,20.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514742,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,341.11767,[M-H]-,20.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514743,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,341.11767,[M-H]-,60.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514744,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,341.11767,[M-H]-,30.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514745,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,341.11767,[M-H]-,20.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514746,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,341.11767,[M-H]-,60.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514747,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,341.11767,[M-H]-,30.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514748,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,341.11767,[M-H]-,20.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514749,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514750,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514751,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,341.11767,[M-H]-,60.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514752,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,341.11767,[M-H]-,30.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514753,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514754,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,341.11767,[M-H]-,60.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514755,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,341.11767,[M-H]-,30.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514756,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,341.11767,[M-H]-,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514757,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,387.12315,[M+FA]-,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514758,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,387.12315,[M+FA]-,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514759,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,387.12315,[M+FA]-,60.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514760,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,387.12315,[M+FA]-,15.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514761,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,387.12315,[M+FA]-,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514762,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,343.13222,[M+H]+,20.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514763,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,343.13222,[M+H]+,20.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514764,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,343.13222,[M+H]+,60.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514765,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,343.13222,[M+H]+,30.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514766,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,343.13222,[M+H]+,20.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514767,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,343.13222,[M+H]+,60.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514768,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,343.13222,[M+H]+,30.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514769,COC(=O)c1c(OC)cc(S(=O)(=O)NC2CCCNC2C)cc1,343.13222,[M+H]+,20.0,test,COC(=O)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1OC
514770,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,343.13222,[M+H]+,20.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514771,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,343.13222,[M+H]+,20.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514772,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,343.13222,[M+H]+,60.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514773,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,343.13222,[M+H]+,15.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514774,CC(=O)Nc1c(C)ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,343.13222,[M+H]+,20.0,test,CC(=O)Nc1cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc1C
514775,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514776,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514777,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,343.13222,[M+H]+,60.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514778,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,343.13222,[M+H]+,30.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514779,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514780,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,343.13222,[M+H]+,60.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514781,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,343.13222,[M+H]+,30.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514782,COc1c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc(C)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(C)cc1S(=O)(=O)N1CCN(CCC(=O)O)CC1
514783,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,343.13222,[M+H]+,20.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514784,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,343.13222,[M+H]+,20.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514785,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,343.13222,[M+H]+,60.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514786,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,343.13222,[M+H]+,20.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514787,Cc1c(S(=O)(=O)NCCN2CCCOCC2)ccc(C(=O)O)c1,343.13222,[M+H]+,45.0,test,Cc1cc(C(=O)O)ccc1S(=O)(=O)NCCN1CCCOCC1
514788,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514789,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514790,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,343.13222,[M+H]+,60.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514791,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514792,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,343.13222,[M+H]+,45.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514793,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,343.13222,[M+H]+,60.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514794,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514795,COc1cc(S(=O)(=O)NCC2CC(N(C)C)C2)c(C(=O)O)cc1,343.13222,[M+H]+,45.0,test,COc1ccc(C(=O)O)c(S(=O)(=O)NCC2CC(N(C)C)C2)c1
514796,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,343.13222,[M+H]+,20.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514797,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,343.13222,[M+H]+,20.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514798,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,343.13222,[M+H]+,30.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514799,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,343.13222,[M+H]+,60.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514800,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,343.13222,[M+H]+,20.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514801,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,343.13222,[M+H]+,45.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514802,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,343.13222,[M+H]+,60.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514803,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1,343.13222,[M+H]+,20.0,test,COc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1
514804,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,343.13222,[M+H]+,20.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514805,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,343.13222,[M+H]+,20.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514806,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,343.13222,[M+H]+,60.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514807,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,343.13222,[M+H]+,30.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514808,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1,343.13222,[M+H]+,20.0,test,COc1cccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)c1
514809,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514810,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514811,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,343.13222,[M+H]+,30.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514812,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,343.13222,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514813,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514814,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,343.13222,[M+H]+,45.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514815,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,343.13222,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514816,COc1c(C)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1,343.13222,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C
514817,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1,311.12463,[M+H]+,20.0,test,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1
514818,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1,311.12463,[M+H]+,20.0,test,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1
514819,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1,311.12463,[M+H]+,60.0,test,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1
514820,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1,311.12463,[M+H]+,30.0,test,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1
514821,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1,311.12463,[M+H]+,20.0,test,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1
514822,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1,311.12463,[M+H]+,30.0,test,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1
514823,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1,311.12463,[M+H]+,60.0,test,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1
514824,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1,311.12463,[M+H]+,20.0,test,O=C(Cc1ccsc1)N1CCCN(C2CCSC2)CC1
514825,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1,311.12463,[M+H]+,20.0,test,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1
514826,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1,311.12463,[M+H]+,20.0,test,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1
514827,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1,311.12463,[M+H]+,45.0,test,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1
514828,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1,311.12463,[M+H]+,60.0,test,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1
514829,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1,311.12463,[M+H]+,20.0,test,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1
514830,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1,311.12463,[M+H]+,60.0,test,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1
514831,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1,311.12463,[M+H]+,45.0,test,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1
514832,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1,311.12463,[M+H]+,20.0,test,O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1
514833,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,305.14416,[M-H]-,20.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514834,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,305.14416,[M-H]-,20.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514835,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,305.14416,[M-H]-,60.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514836,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,305.14416,[M-H]-,20.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514837,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,305.14416,[M-H]-,45.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514838,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,305.14416,[M-H]-,60.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514839,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,305.14416,[M-H]-,20.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514840,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,305.14416,[M-H]-,45.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514841,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,307.15871,[M+H]+,20.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514842,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,307.15871,[M+H]+,20.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514843,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,307.15871,[M+H]+,30.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514844,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,307.15871,[M+H]+,60.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514845,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,307.15871,[M+H]+,20.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514846,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,307.15871,[M+H]+,45.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514847,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,307.15871,[M+H]+,60.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514848,CCNC(=O)CNc1c2c(CC(C)C)csc2nc(C)n1,307.15871,[M+H]+,20.0,test,CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12
514849,Cc1c(C)sc(C(C)(C)NC(=O)c2c(C)n(C)nc2C)n1,307.15871,[M+H]+,20.0,test,Cc1nc(C(C)(C)NC(=O)c2c(C)nn(C)c2C)sc1C
514850,Cc1c(C)sc(C(C)(C)NC(=O)c2c(C)n(C)nc2C)n1,307.15871,[M+H]+,20.0,test,Cc1nc(C(C)(C)NC(=O)c2c(C)nn(C)c2C)sc1C
514851,Cc1c(C)sc(C(C)(C)NC(=O)c2c(C)n(C)nc2C)n1,307.15871,[M+H]+,60.0,test,Cc1nc(C(C)(C)NC(=O)c2c(C)nn(C)c2C)sc1C
514852,Cc1c(C)sc(C(C)(C)NC(=O)c2c(C)n(C)nc2C)n1,307.15871,[M+H]+,15.0,test,Cc1nc(C(C)(C)NC(=O)c2c(C)nn(C)c2C)sc1C
514853,Cc1c(C)sc(C(C)(C)NC(=O)c2c(C)n(C)nc2C)n1,307.15871,[M+H]+,20.0,test,Cc1nc(C(C)(C)NC(=O)c2c(C)nn(C)c2C)sc1C
514854,Cc1c(C)sc(C(C)(C)NC(=O)c2c(C)n(C)nc2C)n1,307.15871,[M+H]+,60.0,test,Cc1nc(C(C)(C)NC(=O)c2c(C)nn(C)c2C)sc1C
514855,Cc1c(C)sc(C(C)(C)NC(=O)c2c(C)n(C)nc2C)n1,307.15871,[M+H]+,15.0,test,Cc1nc(C(C)(C)NC(=O)c2c(C)nn(C)c2C)sc1C
514856,Cc1c(C)sc(C(C)(C)NC(=O)c2c(C)n(C)nc2C)n1,307.15871,[M+H]+,20.0,test,Cc1nc(C(C)(C)NC(=O)c2c(C)nn(C)c2C)sc1C
514857,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1,307.15871,[M+H]+,20.0,test,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
514858,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1,307.15871,[M+H]+,20.0,test,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
514859,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1,307.15871,[M+H]+,60.0,test,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
514860,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1,307.15871,[M+H]+,30.0,test,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
514861,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1,307.15871,[M+H]+,20.0,test,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
514862,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1,307.15871,[M+H]+,60.0,test,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
514863,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1,307.15871,[M+H]+,30.0,test,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
514864,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1,307.15871,[M+H]+,20.0,test,Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
514865,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C,307.15871,[M+H]+,20.0,test,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C
514866,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C,307.15871,[M+H]+,20.0,test,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C
514867,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C,307.15871,[M+H]+,60.0,test,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C
514868,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C,307.15871,[M+H]+,30.0,test,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C
514869,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C,307.15871,[M+H]+,20.0,test,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C
514870,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C,307.15871,[M+H]+,30.0,test,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C
514871,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C,307.15871,[M+H]+,60.0,test,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C
514872,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C,307.15871,[M+H]+,20.0,test,Cc1sc2ncnc(NCCCN3CCOCC3)c2c1C
514873,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1,307.15871,[M+H]+,20.0,test,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1
514874,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1,307.15871,[M+H]+,20.0,test,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1
514875,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1,307.15871,[M+H]+,60.0,test,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1
514876,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1,307.15871,[M+H]+,30.0,test,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1
514877,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1,307.15871,[M+H]+,20.0,test,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1
514878,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1,307.15871,[M+H]+,20.0,test,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1
514879,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1,307.15871,[M+H]+,30.0,test,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1
514880,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1,307.15871,[M+H]+,60.0,test,Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1
514881,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,429.08428,[M-H]-,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514882,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,429.08428,[M-H]-,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514883,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,429.08428,[M-H]-,45.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514884,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,429.08428,[M-H]-,60.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514885,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,429.08428,[M-H]-,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514886,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,429.08428,[M-H]-,45.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514887,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,429.08428,[M-H]-,60.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514888,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,429.08428,[M-H]-,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514889,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,465.06095,[M+Cl]-,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514890,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,465.06095,[M+Cl]-,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514891,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,465.06095,[M+Cl]-,60.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514892,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,465.06095,[M+Cl]-,30.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514893,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,431.09883,[M+H]+,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514894,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,431.09883,[M+H]+,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514895,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,431.09883,[M+H]+,60.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514896,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,431.09883,[M+H]+,30.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514897,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,431.09883,[M+H]+,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514898,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,431.09883,[M+H]+,30.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514899,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,431.09883,[M+H]+,60.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514900,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1,431.09883,[M+H]+,20.0,test,CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1
514901,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,20.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514902,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,20.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514903,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,15.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514904,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,20.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514905,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,391.12458,[M+FA]-,20.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514906,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,391.12458,[M+FA]-,20.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514907,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,391.12458,[M+FA]-,60.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514908,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,391.12458,[M+FA]-,15.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514909,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,391.12458,[M+FA]-,20.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514910,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,391.12458,[M+FA]-,20.0,test,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
514911,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,391.12458,[M+FA]-,20.0,test,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
514912,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,391.12458,[M+FA]-,60.0,test,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
514913,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,391.12458,[M+FA]-,15.0,test,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
514914,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,391.12458,[M+FA]-,20.0,test,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
514915,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,20.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514916,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,20.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514917,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,60.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514918,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,15.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514919,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,391.12458,[M+FA]-,20.0,test,OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
514920,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,391.12458,[M+FA]-,20.0,test,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O
514921,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,391.12458,[M+FA]-,20.0,test,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O
514922,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,391.12458,[M+FA]-,60.0,test,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O
514923,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,391.12458,[M+FA]-,15.0,test,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O
514924,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,391.12458,[M+FA]-,20.0,test,COc1cc(COC2OC(CO)C(O)C(O)C2O)cc(OC)c1O
514925,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,364.1602,[M+NH4]+,20.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514926,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,364.1602,[M+NH4]+,20.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514927,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,364.1602,[M+NH4]+,60.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514928,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,364.1602,[M+NH4]+,15.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514929,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,364.1602,[M+NH4]+,20.0,test,COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
514930,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1,349.18459,[M+H]+,20.0,test,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1
514931,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1,349.18459,[M+H]+,20.0,test,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1
514932,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1,349.18459,[M+H]+,30.0,test,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1
514933,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1,349.18459,[M+H]+,60.0,test,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1
514934,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1,349.18459,[M+H]+,15.0,test,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1
514935,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1,349.18459,[M+H]+,20.0,test,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1
514936,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1,349.18459,[M+H]+,60.0,test,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1
514937,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1,349.18459,[M+H]+,20.0,test,Cc1noc(CC2CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C2)n1
514938,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,308.14382,[M-H]-,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514939,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,308.14382,[M-H]-,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514940,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,308.14382,[M-H]-,60.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514941,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,308.14382,[M-H]-,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514942,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,308.14382,[M-H]-,45.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514943,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,308.14382,[M-H]-,60.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514944,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,308.14382,[M-H]-,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514945,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,308.14382,[M-H]-,45.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514946,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,344.1205,[M+Cl]-,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514947,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,344.1205,[M+Cl]-,60.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514948,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,344.1205,[M+Cl]-,15.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514949,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,344.1205,[M+Cl]-,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514950,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,354.1493,[M+FA]-,15.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514951,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,354.1493,[M+FA]-,15.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514952,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,354.1493,[M+FA]-,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514953,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,354.1493,[M+FA]-,60.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514954,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,354.1493,[M+FA]-,15.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514955,Cc1c(C)n(CC(=O)N2CCC(N3CCCC3)C2)c(=O)s1,310.15837,[M+H]+,20.0,test,Cc1sc(=O)n(CC(=O)N2CCC(N3CCCC3)C2)c1C
514956,Cc1c(C)n(CC(=O)N2CCC(N3CCCC3)C2)c(=O)s1,310.15837,[M+H]+,20.0,test,Cc1sc(=O)n(CC(=O)N2CCC(N3CCCC3)C2)c1C
514957,Cc1c(C)n(CC(=O)N2CCC(N3CCCC3)C2)c(=O)s1,310.15837,[M+H]+,60.0,test,Cc1sc(=O)n(CC(=O)N2CCC(N3CCCC3)C2)c1C
514958,Cc1c(C)n(CC(=O)N2CCC(N3CCCC3)C2)c(=O)s1,310.15837,[M+H]+,15.0,test,Cc1sc(=O)n(CC(=O)N2CCC(N3CCCC3)C2)c1C
514959,Cc1c(C)n(CC(=O)N2CCC(N3CCCC3)C2)c(=O)s1,310.15837,[M+H]+,20.0,test,Cc1sc(=O)n(CC(=O)N2CCC(N3CCCC3)C2)c1C
514960,Cc1c(C)n(CC(=O)N2CCC(N3CCCC3)C2)c(=O)s1,310.15837,[M+H]+,45.0,test,Cc1sc(=O)n(CC(=O)N2CCC(N3CCCC3)C2)c1C
514961,Cc1c(C)n(CC(=O)N2CCC(N3CCCC3)C2)c(=O)s1,310.15837,[M+H]+,60.0,test,Cc1sc(=O)n(CC(=O)N2CCC(N3CCCC3)C2)c1C
514962,Cc1c(C)n(CC(=O)N2CCC(N3CCCC3)C2)c(=O)s1,310.15837,[M+H]+,20.0,test,Cc1sc(=O)n(CC(=O)N2CCC(N3CCCC3)C2)c1C
514963,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1,310.15837,[M+H]+,20.0,test,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1
514964,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1,310.15837,[M+H]+,20.0,test,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1
514965,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1,310.15837,[M+H]+,60.0,test,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1
514966,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1,310.15837,[M+H]+,30.0,test,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1
514967,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1,310.15837,[M+H]+,20.0,test,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1
514968,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1,310.15837,[M+H]+,60.0,test,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1
514969,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1,310.15837,[M+H]+,30.0,test,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1
514970,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1,310.15837,[M+H]+,20.0,test,O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1
514971,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,310.15837,[M+H]+,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514972,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,310.15837,[M+H]+,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514973,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,310.15837,[M+H]+,60.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514974,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,310.15837,[M+H]+,30.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514975,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,310.15837,[M+H]+,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514976,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,310.15837,[M+H]+,60.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514977,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,310.15837,[M+H]+,30.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514978,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1,310.15837,[M+H]+,20.0,test,CC(NC(=O)[C@H]1CCCC(=O)N1)c1nc(C(C)(C)C)cs1
514979,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1,310.15837,[M+H]+,20.0,test,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1
514980,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1,310.15837,[M+H]+,20.0,test,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1
514981,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1,310.15837,[M+H]+,60.0,test,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1
514982,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1,310.15837,[M+H]+,30.0,test,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1
514983,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1,310.15837,[M+H]+,20.0,test,Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)s1
514984,CN(C)c1ncc(S(=O)(=O)N2CCCC2C2CCC2)cc1,310.15837,[M+H]+,20.0,test,CN(C)c1ccc(S(=O)(=O)N2CCCC2C2CCC2)cn1
514985,CN(C)c1ncc(S(=O)(=O)N2CCCC2C2CCC2)cc1,310.15837,[M+H]+,20.0,test,CN(C)c1ccc(S(=O)(=O)N2CCCC2C2CCC2)cn1
514986,CN(C)c1ncc(S(=O)(=O)N2CCCC2C2CCC2)cc1,310.15837,[M+H]+,60.0,test,CN(C)c1ccc(S(=O)(=O)N2CCCC2C2CCC2)cn1
514987,CN(C)c1ncc(S(=O)(=O)N2CCCC2C2CCC2)cc1,310.15837,[M+H]+,20.0,test,CN(C)c1ccc(S(=O)(=O)N2CCCC2C2CCC2)cn1
514988,CN(C)c1ncc(S(=O)(=O)N2CCCC2C2CCC2)cc1,310.15837,[M+H]+,45.0,test,CN(C)c1ccc(S(=O)(=O)N2CCCC2C2CCC2)cn1
514989,CN(C)c1ncc(S(=O)(=O)N2CCCC2C2CCC2)cc1,310.15837,[M+H]+,60.0,test,CN(C)c1ccc(S(=O)(=O)N2CCCC2C2CCC2)cn1
514990,CN(C)c1ncc(S(=O)(=O)N2CCCC2C2CCC2)cc1,310.15837,[M+H]+,20.0,test,CN(C)c1ccc(S(=O)(=O)N2CCCC2C2CCC2)cn1
514991,CN(C)c1ncc(S(=O)(=O)N2CCCC2C2CCC2)cc1,310.15837,[M+H]+,45.0,test,CN(C)c1ccc(S(=O)(=O)N2CCCC2C2CCC2)cn1
514992,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
514993,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
514994,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,60.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
514995,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,30.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
514996,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
514997,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,308.14382,[M-H]-,20.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
514998,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,308.14382,[M-H]-,20.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
514999,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,308.14382,[M-H]-,60.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
515000,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,308.14382,[M-H]-,30.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
515001,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,308.14382,[M-H]-,20.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
515002,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,310.15837,[M+H]+,20.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
515003,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,310.15837,[M+H]+,20.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
515004,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,310.15837,[M+H]+,60.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
515005,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,310.15837,[M+H]+,30.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
515006,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O,310.15837,[M+H]+,20.0,test,CCc1c(C)[nH]c(SCC(=O)NC2CCCCC2)nc1=O
515007,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515008,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515009,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,60.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515010,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,30.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515011,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515012,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,60.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515013,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,30.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515014,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,310.15837,[M+H]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515015,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,332.14032,[M+Na]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515016,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1,332.14032,[M+Na]+,20.0,test,Cc1csc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1
515017,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,340.11589,[M-H]-,20.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515018,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,340.11589,[M-H]-,20.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515019,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,340.11589,[M-H]-,60.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515020,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,340.11589,[M-H]-,20.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515021,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,340.11589,[M-H]-,45.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515022,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,342.13045,[M+H]+,20.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515023,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,342.13045,[M+H]+,20.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515024,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,342.13045,[M+H]+,60.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515025,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,342.13045,[M+H]+,20.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515026,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,342.13045,[M+H]+,45.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515027,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,342.13045,[M+H]+,60.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515028,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,342.13045,[M+H]+,20.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515029,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1,342.13045,[M+H]+,45.0,test,Cc1cn2c(S(=O)(=O)NC3CCCCC3)c(C(C)C)nc2s1
515030,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C,342.13045,[M+H]+,20.0,test,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C
515031,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C,342.13045,[M+H]+,20.0,test,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C
515032,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C,342.13045,[M+H]+,60.0,test,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C
515033,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C,342.13045,[M+H]+,15.0,test,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C
515034,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C,342.13045,[M+H]+,20.0,test,CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1C
515035,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1,278.16854,[M+H]+,20.0,test,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1
515036,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1,278.16854,[M+H]+,20.0,test,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1
515037,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1,278.16854,[M+H]+,60.0,test,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1
515038,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1,278.16854,[M+H]+,30.0,test,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1
515039,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1,278.16854,[M+H]+,20.0,test,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1
515040,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1,278.16854,[M+H]+,30.0,test,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1
515041,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1,278.16854,[M+H]+,20.0,test,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1
515042,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1,278.16854,[M+H]+,60.0,test,CCN(CC)CCNc1nc2c(C)ccc(C)c2s1
515043,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,558.0644,[M-H]-,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515044,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,558.0644,[M-H]-,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515045,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,558.0644,[M-H]-,60.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515046,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,558.0644,[M-H]-,30.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515047,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,558.0644,[M-H]-,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515048,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,558.0644,[M-H]-,60.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515049,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,558.0644,[M-H]-,30.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515050,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,558.0644,[M-H]-,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515051,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,560.07895,[M+H]+,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515052,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,560.07895,[M+H]+,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515053,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,560.07895,[M+H]+,60.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515054,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,560.07895,[M+H]+,15.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515055,Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C3O)c2ncn1,560.07895,[M+H]+,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515056,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O,558.0644,[M-H]-,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515057,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O,558.0644,[M-H]-,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515058,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O,558.0644,[M-H]-,45.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515059,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O,558.0644,[M-H]-,60.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515060,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O,558.0644,[M-H]-,20.0,test,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C=O)C(O)C1O
515061,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515062,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515063,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515064,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515065,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,45.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515066,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515067,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515068,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515069,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515070,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,45.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515071,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515072,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515073,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515074,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,15.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515075,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515076,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515077,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515078,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515079,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515080,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,45.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515081,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515082,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515083,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,45.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515084,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515085,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515086,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515087,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,30.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515088,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,336.14997,[M-H]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515089,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515090,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515091,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515092,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,15.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515093,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,382.15545,[M+FA]-,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515094,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515095,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515096,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515097,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515098,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,45.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515099,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,60.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515100,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,20.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515101,CNS(=O)(=O)CC1CCC(N(C)c2c3cc[nH]c3ncn2)CC1,338.16452,[M+H]+,45.0,test,CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
515102,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1,338.16452,[M+H]+,20.0,test,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1
515103,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1,338.16452,[M+H]+,20.0,test,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1
515104,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1,338.16452,[M+H]+,60.0,test,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1
515105,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1,338.16452,[M+H]+,20.0,test,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1
515106,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1,338.16452,[M+H]+,60.0,test,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1
515107,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1,338.16452,[M+H]+,20.0,test,Cc1cc(N2CC3CN(S(=O)(=O)N4CCCC4)CC3C2)ncn1
515108,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,338.16452,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515109,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,338.16452,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515110,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,338.16452,[M+H]+,45.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515111,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,338.16452,[M+H]+,60.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515112,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,338.16452,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515113,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,338.16452,[M+H]+,45.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515114,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,338.16452,[M+H]+,60.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515115,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,338.16452,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515116,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,360.14646,[M+Na]+,45.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515117,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,360.14646,[M+Na]+,45.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515118,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,360.14646,[M+Na]+,45.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515119,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C,360.14646,[M+Na]+,20.0,test,CCn1cc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)nc1C
515120,Cc1nc(C2CCN(C(=O)Nc3cn(CCN(C)C)nc3)C2)no1,334.1986,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1
515121,Cc1nc(C2CCN(C(=O)Nc3cn(CCN(C)C)nc3)C2)no1,334.1986,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1
515122,Cc1nc(C2CCN(C(=O)Nc3cn(CCN(C)C)nc3)C2)no1,334.1986,[M+H]+,30.0,test,Cc1nc(C2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1
515123,Cc1nc(C2CCN(C(=O)Nc3cn(CCN(C)C)nc3)C2)no1,334.1986,[M+H]+,60.0,test,Cc1nc(C2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1
515124,Cc1nc(C2CCN(C(=O)Nc3cn(CCN(C)C)nc3)C2)no1,334.1986,[M+H]+,15.0,test,Cc1nc(C2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1
515125,Cc1nc(C2CCN(C(=O)Nc3cn(CCN(C)C)nc3)C2)no1,334.1986,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1
515126,Cc1nc(C2CCN(C(=O)Nc3cn(CCN(C)C)nc3)C2)no1,334.1986,[M+H]+,60.0,test,Cc1nc(C2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1
515127,Cc1nc(C2CCN(C(=O)Nc3cn(CCN(C)C)nc3)C2)no1,334.1986,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1
515128,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,382.07472,[M-H]-,45.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515129,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,382.07472,[M-H]-,45.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515130,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,382.07472,[M-H]-,60.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515131,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,382.07472,[M-H]-,20.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515132,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,382.07472,[M-H]-,45.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515133,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,384.08928,[M+H]+,20.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515134,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,384.08928,[M+H]+,20.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515135,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,384.08928,[M+H]+,60.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515136,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,384.08928,[M+H]+,15.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515137,CCOC(OCC)P(=O)(O)CCCNCc1cc(Cl)c(Cl)cc1,384.08928,[M+H]+,20.0,test,CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1
515138,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2CCOCCn21,413.12312,[M+Cl]-,20.0,test,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2n1CCOCC2
515139,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2CCOCCn21,413.12312,[M+Cl]-,15.0,test,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2n1CCOCC2
515140,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2CCOCCn21,413.12312,[M+Cl]-,20.0,test,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2n1CCOCC2
515141,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2CCOCCn21,423.15192,[M+FA]-,20.0,test,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2n1CCOCC2
515142,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2CCOCCn21,423.15192,[M+FA]-,20.0,test,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2n1CCOCC2
515143,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2CCOCCn21,423.15192,[M+FA]-,60.0,test,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2n1CCOCC2
515144,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2CCOCCn21,423.15192,[M+FA]-,15.0,test,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2n1CCOCC2
515145,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2CCOCCn21,423.15192,[M+FA]-,20.0,test,CS(=O)(=O)N(CCC1CCCC1(F)F)Cc1nnc2n1CCOCC2
515146,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1,281.18597,[M+H]+,20.0,test,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1
515147,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1,281.18597,[M+H]+,20.0,test,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1
515148,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1,281.18597,[M+H]+,60.0,test,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1
515149,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1,281.18597,[M+H]+,30.0,test,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1
515150,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1,281.18597,[M+H]+,20.0,test,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1
515151,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1,281.18597,[M+H]+,60.0,test,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1
515152,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1,281.18597,[M+H]+,30.0,test,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1
515153,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1,281.18597,[M+H]+,20.0,test,CCC1CCCN(C(=O)CCc2cc(OC)no2)CC1
515154,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,263.17541,[M+H-H2O]+,20.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515155,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,263.17541,[M+H-H2O]+,20.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515156,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,263.17541,[M+H-H2O]+,60.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515157,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,263.17541,[M+H-H2O]+,30.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515158,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,263.17541,[M+H-H2O]+,20.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515159,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,281.18597,[M+H]+,20.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515160,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,281.18597,[M+H]+,20.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515161,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,281.18597,[M+H]+,30.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515162,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,281.18597,[M+H]+,60.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515163,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,281.18597,[M+H]+,15.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515164,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,281.18597,[M+H]+,20.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515165,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,281.18597,[M+H]+,60.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515166,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1,281.18597,[M+H]+,20.0,test,CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1
515167,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1,281.18597,[M+H]+,20.0,test,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1
515168,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1,281.18597,[M+H]+,20.0,test,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1
515169,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1,281.18597,[M+H]+,60.0,test,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1
515170,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1,281.18597,[M+H]+,20.0,test,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1
515171,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1,281.18597,[M+H]+,45.0,test,CC1CC(C(=O)N2CCC(C3CCOC3)C2)CC(=O)N1
515172,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,393.14023,[M+FA]-,20.0,test,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21
515173,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,393.14023,[M+FA]-,20.0,test,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21
515174,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,393.14023,[M+FA]-,60.0,test,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21
515175,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,393.14023,[M+FA]-,30.0,test,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21
515176,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,393.14023,[M+FA]-,20.0,test,C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21
515177,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,374.12137,[M-H]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515178,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,374.12137,[M-H]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515179,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,374.12137,[M-H]-,60.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515180,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,374.12137,[M-H]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515181,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,374.12137,[M-H]-,45.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515182,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,374.12137,[M-H]-,60.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515183,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,374.12137,[M-H]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515184,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,374.12137,[M-H]-,45.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515185,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,410.09805,[M+Cl]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515186,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,410.09805,[M+Cl]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515187,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,410.09805,[M+Cl]-,60.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515188,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,410.09805,[M+Cl]-,15.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515189,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,410.09805,[M+Cl]-,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515190,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,376.13592,[M+H]+,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515191,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,376.13592,[M+H]+,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515192,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,376.13592,[M+H]+,60.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515193,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,376.13592,[M+H]+,30.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515194,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,376.13592,[M+H]+,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515195,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,376.13592,[M+H]+,60.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515196,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,376.13592,[M+H]+,30.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515197,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1,376.13592,[M+H]+,20.0,test,CC(C)(NS(C)(=O)=O)C(=O)NCC(c1cccs1)N1CCOCC1
515198,CC(C)Oc1ncnc(N2CCN(C3CCNC3)CC2)c1,292.21319,[M+H]+,20.0,test,CC(C)Oc1cc(N2CCN(C3CCNC3)CC2)ncn1
515199,CC(C)Oc1ncnc(N2CCN(C3CCNC3)CC2)c1,292.21319,[M+H]+,20.0,test,CC(C)Oc1cc(N2CCN(C3CCNC3)CC2)ncn1
515200,CC(C)Oc1ncnc(N2CCN(C3CCNC3)CC2)c1,292.21319,[M+H]+,60.0,test,CC(C)Oc1cc(N2CCN(C3CCNC3)CC2)ncn1
515201,CC(C)Oc1ncnc(N2CCN(C3CCNC3)CC2)c1,292.21319,[M+H]+,30.0,test,CC(C)Oc1cc(N2CCN(C3CCNC3)CC2)ncn1
515202,CC(C)Oc1ncnc(N2CCN(C3CCNC3)CC2)c1,292.21319,[M+H]+,20.0,test,CC(C)Oc1cc(N2CCN(C3CCNC3)CC2)ncn1
515203,CC(C)Oc1ncnc(N2CCN(C3CCNC3)CC2)c1,292.21319,[M+H]+,60.0,test,CC(C)Oc1cc(N2CCN(C3CCNC3)CC2)ncn1
515204,CC(C)Oc1ncnc(N2CCN(C3CCNC3)CC2)c1,292.21319,[M+H]+,30.0,test,CC(C)Oc1cc(N2CCN(C3CCNC3)CC2)ncn1
515205,CC(C)Oc1ncnc(N2CCN(C3CCNC3)CC2)c1,292.21319,[M+H]+,20.0,test,CC(C)Oc1cc(N2CCN(C3CCNC3)CC2)ncn1
515206,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1,292.21319,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1
515207,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1,292.21319,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1
515208,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1,292.21319,[M+H]+,60.0,test,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1
515209,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1,292.21319,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1
515210,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1,292.21319,[M+H]+,45.0,test,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1
515211,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1,292.21319,[M+H]+,60.0,test,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1
515212,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1,292.21319,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1
515213,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1,292.21319,[M+H]+,45.0,test,CCn1nc(C)c(C(=O)N2CCC3(CCCN3C)CC2)n1
515214,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,338.16562,[M-H]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515215,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,338.16562,[M-H]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515216,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,338.16562,[M-H]-,60.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515217,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,338.16562,[M-H]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515218,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,338.16562,[M-H]-,45.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515219,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,338.16562,[M-H]-,60.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515220,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,338.16562,[M-H]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515221,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,338.16562,[M-H]-,45.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515222,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,374.1423,[M+Cl]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515223,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,374.1423,[M+Cl]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515224,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,374.1423,[M+Cl]-,60.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515225,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,374.1423,[M+Cl]-,15.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515226,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,374.1423,[M+Cl]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515227,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,384.1711,[M+FA]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515228,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,384.1711,[M+FA]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515229,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,384.1711,[M+FA]-,60.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515230,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,384.1711,[M+FA]-,15.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515231,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,384.1711,[M+FA]-,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515232,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,340.18017,[M+H]+,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515233,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,340.18017,[M+H]+,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515234,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,340.18017,[M+H]+,60.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515235,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,340.18017,[M+H]+,30.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515236,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,340.18017,[M+H]+,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515237,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,340.18017,[M+H]+,60.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515238,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,340.18017,[M+H]+,30.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515239,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1,340.18017,[M+H]+,20.0,test,Cc1nc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2C2CC2)n[nH]1
515240,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1,336.21425,[M+H]+,20.0,test,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1
515241,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1,336.21425,[M+H]+,20.0,test,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1
515242,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1,336.21425,[M+H]+,60.0,test,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1
515243,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1,336.21425,[M+H]+,20.0,test,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1
515244,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1,336.21425,[M+H]+,60.0,test,C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCN1
515245,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,311.19763,[M+FA]-,20.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515246,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,311.19763,[M+FA]-,60.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515247,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,311.19763,[M+FA]-,15.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515248,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,311.19763,[M+FA]-,20.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515249,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,267.2067,[M+H]+,20.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515250,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,267.2067,[M+H]+,20.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515251,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,267.2067,[M+H]+,30.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515252,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,267.2067,[M+H]+,60.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515253,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,267.2067,[M+H]+,20.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515254,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,267.2067,[M+H]+,45.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515255,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,267.2067,[M+H]+,60.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515256,O=C(NC1CCOC1)NC1CCC2CCCCC2C1,267.2067,[M+H]+,20.0,test,O=C(NC1CCOC1)NC1CCC2CCCCC2C1
515257,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O,267.2067,[M+H]+,20.0,test,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O
515258,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O,267.2067,[M+H]+,20.0,test,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O
515259,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O,267.2067,[M+H]+,60.0,test,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O
515260,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O,267.2067,[M+H]+,30.0,test,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O
515261,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O,267.2067,[M+H]+,20.0,test,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O
515262,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O,267.2067,[M+H]+,60.0,test,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O
515263,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O,267.2067,[M+H]+,30.0,test,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O
515264,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O,267.2067,[M+H]+,20.0,test,CC1(C)CN(C(=O)NCC2=CCCCC2)CCC1O
515265,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1,267.2067,[M+H]+,20.0,test,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
515266,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1,267.2067,[M+H]+,20.0,test,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
515267,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1,267.2067,[M+H]+,30.0,test,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
515268,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1,267.2067,[M+H]+,60.0,test,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
515269,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1,267.2067,[M+H]+,20.0,test,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
515270,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1,267.2067,[M+H]+,45.0,test,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
515271,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1,267.2067,[M+H]+,20.0,test,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
515272,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1,267.2067,[M+H]+,60.0,test,CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
515273,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,249.19614,[M+H-H2O]+,20.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515274,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,249.19614,[M+H-H2O]+,20.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515275,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,249.19614,[M+H-H2O]+,45.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515276,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,249.19614,[M+H-H2O]+,60.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515277,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,249.19614,[M+H-H2O]+,20.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515278,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,267.2067,[M+H]+,20.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515279,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,267.2067,[M+H]+,20.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515280,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,267.2067,[M+H]+,60.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515281,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,267.2067,[M+H]+,30.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515282,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,267.2067,[M+H]+,20.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515283,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,267.2067,[M+H]+,30.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515284,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,267.2067,[M+H]+,20.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515285,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1,267.2067,[M+H]+,60.0,test,O=C(C1CCCC1)N1CCN(CC(O)C2CC2)CC1
515286,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1,267.2067,[M+H]+,20.0,test,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1
515287,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1,267.2067,[M+H]+,20.0,test,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1
515288,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1,267.2067,[M+H]+,45.0,test,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1
515289,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1,267.2067,[M+H]+,60.0,test,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1
515290,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1,267.2067,[M+H]+,20.0,test,CC(C)[C@@H]1COC(C(C)(C)C2=N[C@H](C(C)C)CO2)=N1
515291,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1,327.18492,[M+H]+,20.0,test,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1
515292,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1,327.18492,[M+H]+,20.0,test,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1
515293,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1,327.18492,[M+H]+,60.0,test,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1
515294,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1,327.18492,[M+H]+,20.0,test,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1
515295,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1,327.18492,[M+H]+,45.0,test,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1
515296,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1,327.18492,[M+H]+,60.0,test,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1
515297,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1,327.18492,[M+H]+,20.0,test,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1
515298,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1,327.18492,[M+H]+,45.0,test,C=CCn1c(CS(C)(=O)=O)nnc1N1CCC(C(C)(C)C)C1
515299,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515300,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515301,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,60.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515302,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,30.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515303,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515304,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515305,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515306,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,60.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515307,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,30.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515308,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515309,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515310,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,30.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515311,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,335.23023,[M+H]+,60.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515312,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,357.21218,[M+Na]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515313,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,357.21218,[M+Na]+,45.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515314,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,357.21218,[M+Na]+,60.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515315,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,357.21218,[M+Na]+,20.0,test,CCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
515316,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,299.1864,[M+FA]-,20.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515317,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,299.1864,[M+FA]-,60.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515318,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,299.1864,[M+FA]-,15.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515319,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,299.1864,[M+FA]-,20.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515320,CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO,299.1864,[M+FA]-,20.0,test,CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
515321,CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO,299.1864,[M+FA]-,60.0,test,CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
515322,CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO,299.1864,[M+FA]-,15.0,test,CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
515323,CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO,299.1864,[M+FA]-,20.0,test,CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
515324,CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O,299.1864,[M+FA]-,20.0,test,CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O
515325,CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O,299.1864,[M+FA]-,60.0,test,CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O
515326,CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O,299.1864,[M+FA]-,15.0,test,CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O
515327,CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O,299.1864,[M+FA]-,20.0,test,CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O
515328,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,255.19547,[M+H]+,20.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515329,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,255.19547,[M+H]+,20.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515330,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,255.19547,[M+H]+,60.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515331,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,255.19547,[M+H]+,15.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515332,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO,255.19547,[M+H]+,20.0,test,CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
515333,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1,294.22884,[M+H]+,30.0,test,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1
515334,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1,294.22884,[M+H]+,30.0,test,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1
515335,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1,294.22884,[M+H]+,20.0,test,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1
515336,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1,294.22884,[M+H]+,60.0,test,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1
515337,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1,294.22884,[M+H]+,30.0,test,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1
515338,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1,294.22884,[M+H]+,20.0,test,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1
515339,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1,294.22884,[M+H]+,60.0,test,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1
515340,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1,294.22884,[M+H]+,30.0,test,CCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCCCC1
515341,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1,294.22884,[M+H]+,20.0,test,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1
515342,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1,294.22884,[M+H]+,20.0,test,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1
515343,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1,294.22884,[M+H]+,60.0,test,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1
515344,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1,294.22884,[M+H]+,30.0,test,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1
515345,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1,294.22884,[M+H]+,20.0,test,CC(C)(C(=O)NCC1CCC(CN)CC1)n1ccc(N)n1
515346,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1,294.22884,[M+H]+,20.0,test,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1
515347,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1,294.22884,[M+H]+,20.0,test,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1
515348,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1,294.22884,[M+H]+,45.0,test,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1
515349,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1,294.22884,[M+H]+,60.0,test,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1
515350,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1,294.22884,[M+H]+,20.0,test,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1
515351,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1,294.22884,[M+H]+,45.0,test,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1
515352,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1,294.22884,[M+H]+,60.0,test,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1
515353,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1,294.22884,[M+H]+,20.0,test,CCN(CC)C(=O)CN1CCN(c2nccn2CC)CC1
515354,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,314.1973,[M+FA]-,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515355,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,314.1973,[M+FA]-,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515356,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,314.1973,[M+FA]-,60.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515357,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,314.1973,[M+FA]-,15.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515358,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,314.1973,[M+FA]-,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515359,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,252.19581,[M+H-H2O]+,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515360,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,252.19581,[M+H-H2O]+,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515361,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,252.19581,[M+H-H2O]+,60.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515362,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,252.19581,[M+H-H2O]+,30.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515363,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,252.19581,[M+H-H2O]+,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515364,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,252.19581,[M+H-H2O]+,60.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515365,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,252.19581,[M+H-H2O]+,30.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515366,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,252.19581,[M+H-H2O]+,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515367,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,270.20637,[M+H]+,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515368,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,270.20637,[M+H]+,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515369,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,270.20637,[M+H]+,60.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515370,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,270.20637,[M+H]+,15.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515371,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1,270.20637,[M+H]+,20.0,test,CC(NC(=O)CC1(O)CCCCC1)C1CCOCC1
515372,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,284.18673,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515373,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,284.18673,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515374,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,284.18673,[M-H]-,60.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515375,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,284.18673,[M-H]-,15.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515376,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,284.18673,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515377,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,284.18673,[M-H]-,15.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515378,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,284.18673,[M-H]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515379,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,284.18673,[M-H]-,60.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515380,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,320.16341,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515381,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,320.16341,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515382,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,320.16341,[M+Cl]-,60.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515383,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,320.16341,[M+Cl]-,15.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515384,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O,320.16341,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=O)O
515385,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,316.1588,[M-H]-,20.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515386,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,316.1588,[M-H]-,20.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515387,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,316.1588,[M-H]-,60.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515388,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,316.1588,[M-H]-,20.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515389,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,316.1588,[M-H]-,45.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515390,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,318.17336,[M+H]+,20.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515391,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,318.17336,[M+H]+,20.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515392,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,318.17336,[M+H]+,60.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515393,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,318.17336,[M+H]+,30.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515394,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2,318.17336,[M+H]+,20.0,test,O=S(=O)(CCC1CCOC1)NC1CCCC12CCOCC2
515395,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1,317.18934,[M+H]+,20.0,test,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1
515396,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1,317.18934,[M+H]+,20.0,test,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1
515397,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1,317.18934,[M+H]+,60.0,test,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1
515398,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1,317.18934,[M+H]+,20.0,test,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1
515399,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1,317.18934,[M+H]+,45.0,test,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1
515400,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1,317.18934,[M+H]+,60.0,test,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1
515401,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1,317.18934,[M+H]+,20.0,test,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1
515402,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1,317.18934,[M+H]+,45.0,test,O=S(=O)(C1CCCCC1)N1CCC(N2CCOCC2)CC1
515403,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,361.18027,[M+FA]-,15.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515404,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,361.18027,[M+FA]-,60.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515405,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515406,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515407,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,60.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515408,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515409,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,45.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515410,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,60.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515411,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515412,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,45.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515413,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,361.18027,[M+FA]-,20.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515414,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,361.18027,[M+FA]-,15.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515415,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,361.18027,[M+FA]-,15.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515416,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,361.18027,[M+FA]-,20.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515417,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,361.18027,[M+FA]-,60.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515418,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,361.18027,[M+FA]-,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515419,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,361.18027,[M+FA]-,60.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515420,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,361.18027,[M+FA]-,15.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515421,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,361.18027,[M+FA]-,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515422,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,361.18027,[M+FA]-,20.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515423,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,361.18027,[M+FA]-,20.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515424,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,361.18027,[M+FA]-,60.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515425,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,361.18027,[M+FA]-,15.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515426,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,361.18027,[M+FA]-,20.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515427,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,361.18027,[M+FA]-,15.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515428,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,361.18027,[M+FA]-,20.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515429,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,361.18027,[M+FA]-,60.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515430,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515431,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515432,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,45.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515433,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,60.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515434,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1,317.18934,[M+H]+,20.0,test,CC(C)(C)NC(=O)C1CCN(CC2CCS(=O)(=O)CC2)C1
515435,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,317.18934,[M+H]+,20.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515436,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,317.18934,[M+H]+,20.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515437,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,317.18934,[M+H]+,60.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515438,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,317.18934,[M+H]+,30.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515439,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,317.18934,[M+H]+,20.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515440,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,317.18934,[M+H]+,30.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515441,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,317.18934,[M+H]+,60.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515442,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1,317.18934,[M+H]+,20.0,test,CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1
515443,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,317.18934,[M+H]+,20.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515444,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,317.18934,[M+H]+,20.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515445,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,317.18934,[M+H]+,60.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515446,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,317.18934,[M+H]+,30.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515447,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,317.18934,[M+H]+,20.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515448,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,317.18934,[M+H]+,30.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515449,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,317.18934,[M+H]+,20.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515450,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1,317.18934,[M+H]+,60.0,test,CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1
515451,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1,374.97098,[M+H]+,20.0,test,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1
515452,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1,374.97098,[M+H]+,20.0,test,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1
515453,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1,374.97098,[M+H]+,45.0,test,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1
515454,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1,374.97098,[M+H]+,60.0,test,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1
515455,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1,374.97098,[M+H]+,20.0,test,Fc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1
515456,Clc1cc2c(cc1)oc(Cc1nc3c(ccc(Cl)c3)o1)n2,316.98901,[M-H]-,20.0,test,Clc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1
515457,Clc1cc2c(cc1)oc(Cc1nc3c(ccc(Cl)c3)o1)n2,316.98901,[M-H]-,20.0,test,Clc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1
515458,Clc1cc2c(cc1)oc(Cc1nc3c(ccc(Cl)c3)o1)n2,316.98901,[M-H]-,60.0,test,Clc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1
515459,Clc1cc2c(cc1)oc(Cc1nc3c(ccc(Cl)c3)o1)n2,316.98901,[M-H]-,20.0,test,Clc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1
515460,Clc1cc2c(cc1)oc(Cc1nc3c(ccc(Cl)c3)o1)n2,316.98901,[M-H]-,60.0,test,Clc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1
515461,Clc1cc2c(cc1)oc(Cc1nc3c(ccc(Cl)c3)o1)n2,319.00356,[M+H]+,20.0,test,Clc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1
515462,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1,325.02123,[M+H]+,20.0,test,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1
515463,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1,325.02123,[M+H]+,20.0,test,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1
515464,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1,325.02123,[M+H]+,45.0,test,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1
515465,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1,325.02123,[M+H]+,60.0,test,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1
515466,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1,325.02123,[M+H]+,20.0,test,c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1
515467,O=C1Nc2c(cc(Br)cc2)/C1=C/c1cc(O)c(O)c(Br)c1,407.88764,[M-H]-,20.0,test,O=C1Nc2ccc(Br)cc2/C1=C/c1cc(O)c(O)c(Br)c1
515468,O=C1Nc2c(cc(Br)cc2)/C1=C/c1cc(O)c(O)c(Br)c1,407.88764,[M-H]-,20.0,test,O=C1Nc2ccc(Br)cc2/C1=C/c1cc(O)c(O)c(Br)c1
515469,O=C1Nc2c(cc(Br)cc2)/C1=C/c1cc(O)c(O)c(Br)c1,407.88764,[M-H]-,60.0,test,O=C1Nc2ccc(Br)cc2/C1=C/c1cc(O)c(O)c(Br)c1
515470,O=C1Nc2c(cc(Br)cc2)/C1=C/c1cc(O)c(O)c(Br)c1,407.88764,[M-H]-,20.0,test,O=C1Nc2ccc(Br)cc2/C1=C/c1cc(O)c(O)c(Br)c1
515471,O=C1Nc2c(cc(Br)cc2)/C1=C/c1cc(O)c(O)c(Br)c1,407.88764,[M-H]-,45.0,test,O=C1Nc2ccc(Br)cc2/C1=C/c1cc(O)c(O)c(Br)c1
515472,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515473,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515474,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,60.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515475,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515476,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,45.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515477,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515478,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515479,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,60.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515480,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515481,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,60.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515482,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515483,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515484,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,60.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515485,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,30.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515486,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515487,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,45.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515488,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,60.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515489,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,303.99376,[M-H]-,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515490,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515491,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515492,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,60.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515493,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,20.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515494,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1,306.00831,[M+H]+,60.0,test,O=c1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2o1
515495,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,461.97383,[M-H]-,20.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515496,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,461.97383,[M-H]-,20.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515497,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,461.97383,[M-H]-,60.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515498,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,461.97383,[M-H]-,30.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515499,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,461.97383,[M-H]-,20.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515500,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,461.97383,[M-H]-,60.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515501,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,461.97383,[M-H]-,30.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515502,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,461.97383,[M-H]-,20.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515503,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,463.98838,[M+H]+,20.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515504,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,463.98838,[M+H]+,20.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515505,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,463.98838,[M+H]+,60.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515506,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,463.98838,[M+H]+,15.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515507,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(OP(=O)(O)O)ccc(Cl)c1,463.98838,[M+H]+,20.0,test,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O
515508,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1,306.0455,[M-H]-,20.0,test,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1
515509,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1,306.0455,[M-H]-,20.0,test,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1
515510,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1,306.0455,[M-H]-,60.0,test,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1
515511,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1,306.0455,[M-H]-,30.0,test,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1
515512,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1,306.0455,[M-H]-,20.0,test,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1
515513,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1,306.0455,[M-H]-,30.0,test,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1
515514,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1,306.0455,[M-H]-,60.0,test,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1
515515,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1,306.0455,[M-H]-,20.0,test,c1coc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1
515516,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3,332.01427,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3
515517,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3,332.01427,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3
515518,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3,332.01427,[M+H]+,45.0,test,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3
515519,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3,332.01427,[M+H]+,60.0,test,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3
515520,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3,332.01427,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3
515521,O=C(O)C1(c2cc(F)c(-c3cc(Cl)c(Cl)cc3)cc2)CC1,323.00474,[M-H]-,20.0,test,O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1
515522,O=C(O)C1(c2cc(F)c(-c3cc(Cl)c(Cl)cc3)cc2)CC1,323.00474,[M-H]-,20.0,test,O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1
515523,O=C(O)C1(c2cc(F)c(-c3cc(Cl)c(Cl)cc3)cc2)CC1,323.00474,[M-H]-,15.0,test,O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1
515524,O=C(O)C1(c2cc(F)c(-c3cc(Cl)c(Cl)cc3)cc2)CC1,323.00474,[M-H]-,20.0,test,O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1
515525,O=C(O)C1(c2cc(F)c(-c3cc(Cl)c(Cl)cc3)cc2)CC1,323.00474,[M-H]-,15.0,test,O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1
515526,O=C(O)C1(c2cc(F)c(-c3cc(Cl)c(Cl)cc3)cc2)CC1,323.00474,[M-H]-,20.0,test,O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1
515527,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,316.02045,[M-H]-,20.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515528,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,316.02045,[M-H]-,20.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515529,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,316.02045,[M-H]-,45.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515530,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,316.02045,[M-H]-,60.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515531,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,316.02045,[M-H]-,20.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515532,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,316.02045,[M-H]-,20.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515533,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,316.02045,[M-H]-,60.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515534,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1,318.035,[M+H]+,20.0,test,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1
515535,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1,318.035,[M+H]+,20.0,test,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1
515536,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1,318.035,[M+H]+,60.0,test,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1
515537,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1,318.035,[M+H]+,30.0,test,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1
515538,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1,318.035,[M+H]+,20.0,test,Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1
515539,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,318.035,[M+H]+,45.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515540,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,318.035,[M+H]+,45.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515541,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,318.035,[M+H]+,45.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515542,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,318.035,[M+H]+,20.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515543,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,318.035,[M+H]+,60.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515544,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,318.035,[M+H]+,20.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515545,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,318.035,[M+H]+,60.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515546,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21,318.035,[M+H]+,45.0,test,Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21
515547,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1,325.09313,[M+H]+,15.0,test,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1
515548,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1,325.09313,[M+H]+,15.0,test,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1
515549,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1,325.09313,[M+H]+,60.0,test,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1
515550,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1,325.09313,[M+H]+,20.0,test,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1
515551,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1,325.09313,[M+H]+,15.0,test,O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1
515552,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,335.07205,[M-H]-,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515553,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,335.07205,[M-H]-,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515554,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,335.07205,[M-H]-,60.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515555,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,335.07205,[M-H]-,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515556,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,335.07205,[M-H]-,45.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515557,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,337.08661,[M+H]+,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515558,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,337.08661,[M+H]+,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515559,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,337.08661,[M+H]+,60.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515560,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,337.08661,[M+H]+,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515561,Cc1c(NC(=O)c2cnccc2)cc(-c2nn3cnnc3s2)cc1,337.08661,[M+H]+,45.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515562,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,335.07205,[M-H]-,20.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515563,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,335.07205,[M-H]-,20.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515564,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,335.07205,[M-H]-,45.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515565,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,335.07205,[M-H]-,60.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515566,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,335.07205,[M-H]-,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515567,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,335.07205,[M-H]-,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515568,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,335.07205,[M-H]-,45.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515569,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,335.07205,[M-H]-,60.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515570,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,335.07205,[M-H]-,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515571,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,335.07205,[M-H]-,45.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515572,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,335.07205,[M-H]-,60.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515573,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,335.07205,[M-H]-,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515574,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,337.08661,[M+H]+,20.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515575,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,337.08661,[M+H]+,20.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515576,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,337.08661,[M+H]+,45.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515577,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,337.08661,[M+H]+,60.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515578,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,337.08661,[M+H]+,20.0,test,Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12
515579,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,337.08661,[M+H]+,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515580,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,337.08661,[M+H]+,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515581,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,337.08661,[M+H]+,45.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515582,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,337.08661,[M+H]+,60.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515583,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1,337.08661,[M+H]+,20.0,test,Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccnc1
515584,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,45.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515585,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,45.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515586,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515587,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,60.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515588,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,45.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515589,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515590,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515591,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,60.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515592,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515593,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,45.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515594,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515595,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515596,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,60.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515597,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515598,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,60.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515599,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,327.01385,[M-H]-,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515600,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515601,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515602,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,45.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515603,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,60.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515604,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1,329.0284,[M+H]+,20.0,test,Cc1ccc(C2C=NN(c3ccc(Br)cc3)C2=O)cc1
515605,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,332.06076,[M-H]-,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515606,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,332.06076,[M-H]-,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515607,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,332.06076,[M-H]-,60.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515608,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,332.06076,[M-H]-,30.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515609,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,332.06076,[M-H]-,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515610,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515611,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515612,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,60.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515613,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515614,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,60.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515615,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515616,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515617,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515618,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,60.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515619,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515620,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,60.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515621,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515622,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515623,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515624,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,60.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515625,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515626,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,60.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515627,COc1c(OC)cc2c(Nc3c(F)cc(Cl)cc3)ncnc2c1,334.07531,[M+H]+,20.0,test,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
515628,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1,334.07531,[M+H]+,15.0,test,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
515629,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1,334.07531,[M+H]+,15.0,test,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
515630,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1,334.07531,[M+H]+,30.0,test,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
515631,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1,334.07531,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
515632,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1,334.07531,[M+H]+,60.0,test,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
515633,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1,334.07531,[M+H]+,15.0,test,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
515634,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1,334.07531,[M+H]+,60.0,test,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
515635,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1,334.07531,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
515636,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,331.04911,[M-H]-,20.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515637,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,331.04911,[M-H]-,20.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515638,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,331.04911,[M-H]-,60.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515639,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,331.04911,[M-H]-,30.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515640,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,331.04911,[M-H]-,20.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515641,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,333.06366,[M+H]+,20.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515642,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,333.06366,[M+H]+,20.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515643,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,333.06366,[M+H]+,60.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515644,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,333.06366,[M+H]+,30.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515645,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2,333.06366,[M+H]+,20.0,test,O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2
515646,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1,349.02306,[M+H]+,20.0,test,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1
515647,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1,349.02306,[M+H]+,20.0,test,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1
515648,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1,349.02306,[M+H]+,60.0,test,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1
515649,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1,349.02306,[M+H]+,30.0,test,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1
515650,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1,349.02306,[M+H]+,20.0,test,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1
515651,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1,349.02306,[M+H]+,60.0,test,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1
515652,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1,349.02306,[M+H]+,30.0,test,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1
515653,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1,349.02306,[M+H]+,20.0,test,O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1
515654,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,339.07666,[M-H]-,20.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515655,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,339.07666,[M-H]-,20.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515656,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,339.07666,[M-H]-,60.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515657,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,339.07666,[M-H]-,30.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515658,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,339.07666,[M-H]-,20.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515659,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1,341.09121,[M+H]+,20.0,test,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1
515660,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1,341.09121,[M+H]+,20.0,test,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1
515661,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1,341.09121,[M+H]+,60.0,test,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1
515662,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1,341.09121,[M+H]+,30.0,test,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1
515663,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1,341.09121,[M+H]+,20.0,test,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1
515664,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1,341.09121,[M+H]+,60.0,test,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1
515665,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1,341.09121,[M+H]+,30.0,test,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1
515666,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1,341.09121,[M+H]+,20.0,test,O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1
515667,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,341.09121,[M+H]+,20.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515668,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,341.09121,[M+H]+,20.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515669,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,341.09121,[M+H]+,60.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515670,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,341.09121,[M+H]+,30.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515671,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1,341.09121,[M+H]+,20.0,test,CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1
515672,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,316.09031,[M-H]-,20.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515673,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,316.09031,[M-H]-,20.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515674,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,316.09031,[M-H]-,60.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515675,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,316.09031,[M-H]-,20.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515676,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,316.09031,[M-H]-,45.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515677,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,316.09031,[M-H]-,60.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515678,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,316.09031,[M-H]-,20.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515679,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,316.09031,[M-H]-,45.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515680,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,352.06698,[M+Cl]-,15.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515681,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,352.06698,[M+Cl]-,15.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515682,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,362.09579,[M+FA]-,15.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515683,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,362.09579,[M+FA]-,15.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515684,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,362.09579,[M+FA]-,60.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515685,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,362.09579,[M+FA]-,15.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515686,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,318.10486,[M+H]+,20.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515687,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,318.10486,[M+H]+,20.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515688,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,318.10486,[M+H]+,30.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515689,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,318.10486,[M+H]+,60.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515690,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,318.10486,[M+H]+,20.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515691,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,318.10486,[M+H]+,45.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515692,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,318.10486,[M+H]+,60.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515693,Cc1c2ccc(NC(=O)c3cc(OC(F)F)ccc3)cc2n[nH]1,318.10486,[M+H]+,20.0,test,Cc1[nH]nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12
515694,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F,318.10486,[M+H]+,20.0,test,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F
515695,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F,318.10486,[M+H]+,20.0,test,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F
515696,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F,318.10486,[M+H]+,60.0,test,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F
515697,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F,318.10486,[M+H]+,20.0,test,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F
515698,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F,318.10486,[M+H]+,60.0,test,COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1F
515699,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1,340.10675,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1
515700,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1,340.10675,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1
515701,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1,340.10675,[M+H]+,45.0,test,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1
515702,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1,340.10675,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1
515703,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1,340.10675,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1
515704,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1,312.06236,[M+H]+,20.0,test,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1
515705,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1,312.06236,[M+H]+,20.0,test,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1
515706,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1,312.06236,[M+H]+,60.0,test,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1
515707,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1,312.06236,[M+H]+,30.0,test,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1
515708,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1,312.06236,[M+H]+,20.0,test,Cc1cccc(CSc2nnc3sc4ccccc4n23)c1
515709,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,416.06703,[M+FA]-,20.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515710,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,416.06703,[M+FA]-,20.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515711,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,416.06703,[M+FA]-,60.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515712,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,416.06703,[M+FA]-,15.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515713,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,416.06703,[M+FA]-,20.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515714,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,372.0761,[M+H]+,20.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515715,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,372.0761,[M+H]+,20.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515716,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,372.0761,[M+H]+,60.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515717,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,372.0761,[M+H]+,30.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515718,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,372.0761,[M+H]+,20.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515719,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,372.0761,[M+H]+,60.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515720,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,372.0761,[M+H]+,30.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515721,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1,372.0761,[M+H]+,20.0,test,N#CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1
515722,Cc1c(S(=O)(=O)N(C)/N=C/c2cnc3ccc(Br)cn23)cc([N+](=O)[O-])cc1,452.00226,[M+H]+,30.0,test,Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12
515723,Cc1c(S(=O)(=O)N(C)/N=C/c2cnc3ccc(Br)cn23)cc([N+](=O)[O-])cc1,452.00226,[M+H]+,30.0,test,Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12
515724,Cc1c(S(=O)(=O)N(C)/N=C/c2cnc3ccc(Br)cn23)cc([N+](=O)[O-])cc1,452.00226,[M+H]+,20.0,test,Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12
515725,Cc1c(S(=O)(=O)N(C)/N=C/c2cnc3ccc(Br)cn23)cc([N+](=O)[O-])cc1,452.00226,[M+H]+,60.0,test,Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12
515726,Cc1c(S(=O)(=O)N(C)/N=C/c2cnc3ccc(Br)cn23)cc([N+](=O)[O-])cc1,452.00226,[M+H]+,30.0,test,Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12
515727,O=C(c1ccccc1Br)N1CCCc2ccccc21,316.03315,[M+H]+,20.0,test,O=C(c1ccccc1Br)N1CCCc2ccccc21
515728,O=C(c1ccccc1Br)N1CCCc2ccccc21,316.03315,[M+H]+,20.0,test,O=C(c1ccccc1Br)N1CCCc2ccccc21
515729,O=C(c1ccccc1Br)N1CCCc2ccccc21,316.03315,[M+H]+,45.0,test,O=C(c1ccccc1Br)N1CCCc2ccccc21
515730,O=C(c1ccccc1Br)N1CCCc2ccccc21,316.03315,[M+H]+,60.0,test,O=C(c1ccccc1Br)N1CCCc2ccccc21
515731,O=C(c1ccccc1Br)N1CCCc2ccccc21,316.03315,[M+H]+,20.0,test,O=C(c1ccccc1Br)N1CCCc2ccccc21
515732,O=C(c1ccccc1Br)N1CCCc2ccccc21,316.03315,[M+H]+,20.0,test,O=C(c1ccccc1Br)N1CCCc2ccccc21
515733,O=C(c1ccccc1Br)N1CCCc2ccccc21,316.03315,[M+H]+,45.0,test,O=C(c1ccccc1Br)N1CCCc2ccccc21
515734,O=C(c1ccccc1Br)N1CCCc2ccccc21,316.03315,[M+H]+,60.0,test,O=C(c1ccccc1Br)N1CCCc2ccccc21
515735,O=C(c1ccccc1Br)N1CCc2ccccc2C1,316.03315,[M+H]+,20.0,test,O=C(c1ccccc1Br)N1CCc2ccccc2C1
515736,O=C(c1ccccc1Br)N1CCc2ccccc2C1,316.03315,[M+H]+,20.0,test,O=C(c1ccccc1Br)N1CCc2ccccc2C1
515737,O=C(c1ccccc1Br)N1CCc2ccccc2C1,316.03315,[M+H]+,45.0,test,O=C(c1ccccc1Br)N1CCc2ccccc2C1
515738,O=C(c1ccccc1Br)N1CCc2ccccc2C1,316.03315,[M+H]+,60.0,test,O=C(c1ccccc1Br)N1CCc2ccccc2C1
515739,O=C(c1ccccc1Br)N1CCc2ccccc2C1,316.03315,[M+H]+,20.0,test,O=C(c1ccccc1Br)N1CCc2ccccc2C1
515740,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1,316.03315,[M+H]+,45.0,test,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1
515741,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1,316.03315,[M+H]+,45.0,test,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1
515742,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1,316.03315,[M+H]+,45.0,test,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1
515743,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1,316.03315,[M+H]+,20.0,test,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1
515744,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1,316.03315,[M+H]+,60.0,test,O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1
515745,Cc1ccc(C(=O)C(C)OC(=O)c2ncc(Br)cc2)cc1,348.02298,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515746,Cc1ccc(C(=O)C(C)OC(=O)c2ncc(Br)cc2)cc1,348.02298,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515747,Cc1ccc(C(=O)C(C)OC(=O)c2ncc(Br)cc2)cc1,348.02298,[M+H]+,60.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515748,Cc1ccc(C(=O)C(C)OC(=O)c2ncc(Br)cc2)cc1,348.02298,[M+H]+,30.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515749,Cc1ccc(C(=O)C(C)OC(=O)c2ncc(Br)cc2)cc1,348.02298,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515750,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1,348.02298,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515751,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1,348.02298,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515752,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1,348.02298,[M+H]+,60.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515753,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1,348.02298,[M+H]+,30.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515754,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1,348.02298,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515755,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1,348.02298,[M+H]+,60.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515756,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1,348.02298,[M+H]+,30.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515757,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1,348.02298,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(Br)cn2)cc1
515758,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2,348.02298,[M+H]+,20.0,test,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2
515759,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2,348.02298,[M+H]+,20.0,test,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2
515760,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2,348.02298,[M+H]+,45.0,test,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2
515761,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2,348.02298,[M+H]+,60.0,test,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2
515762,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2,348.02298,[M+H]+,20.0,test,Cc1cc(NC(=O)c2ccc(Br)cc2)cc2c1OCCO2
515763,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1,348.02298,[M+H]+,20.0,test,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1
515764,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1,348.02298,[M+H]+,20.0,test,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1
515765,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1,348.02298,[M+H]+,60.0,test,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1
515766,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1,348.02298,[M+H]+,30.0,test,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1
515767,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1,348.02298,[M+H]+,20.0,test,CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1
515768,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,387.99827,[M-H]-,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515769,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,387.99827,[M-H]-,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515770,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,387.99827,[M-H]-,60.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515771,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,387.99827,[M-H]-,30.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515772,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,387.99827,[M-H]-,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515773,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,387.99827,[M-H]-,30.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515774,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,387.99827,[M-H]-,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515775,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,387.99827,[M-H]-,60.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515776,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,423.97495,[M+Cl]-,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515777,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,423.97495,[M+Cl]-,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515778,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,423.97495,[M+Cl]-,60.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515779,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,423.97495,[M+Cl]-,15.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515780,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,423.97495,[M+Cl]-,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515781,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,390.01282,[M+H]+,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515782,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,390.01282,[M+H]+,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515783,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,390.01282,[M+H]+,60.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515784,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,390.01282,[M+H]+,30.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515785,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,390.01282,[M+H]+,20.0,test,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl
515786,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,319.04104,[M-H]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515787,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,319.04104,[M-H]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515788,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,319.04104,[M-H]-,60.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515789,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,319.04104,[M-H]-,30.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515790,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,319.04104,[M-H]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515791,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,319.04104,[M-H]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515792,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,319.04104,[M-H]-,30.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515793,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,319.04104,[M-H]-,60.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515794,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,321.05559,[M+H]+,20.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515795,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,321.05559,[M+H]+,20.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515796,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,321.05559,[M+H]+,60.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515797,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,321.05559,[M+H]+,30.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515798,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,321.05559,[M+H]+,20.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515799,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,321.05559,[M+H]+,30.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515800,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,321.05559,[M+H]+,60.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515801,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl,321.05559,[M+H]+,20.0,test,O=C(CCc1ccccc1)N/N=C/c1cccc(Cl)c1Cl
515802,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,298.07526,[M-H]-,20.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515803,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,298.07526,[M-H]-,20.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515804,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,298.07526,[M-H]-,60.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515805,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,298.07526,[M-H]-,30.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515806,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,298.07526,[M-H]-,20.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515807,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,298.07526,[M-H]-,60.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515808,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,298.07526,[M-H]-,30.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515809,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,298.07526,[M-H]-,20.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515810,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,344.08074,[M+FA]-,15.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515811,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,344.08074,[M+FA]-,15.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515812,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,344.08074,[M+FA]-,20.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515813,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,344.08074,[M+FA]-,60.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515814,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,344.08074,[M+FA]-,15.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515815,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,300.08982,[M+H]+,20.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515816,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,300.08982,[M+H]+,20.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515817,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,300.08982,[M+H]+,60.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515818,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,300.08982,[M+H]+,15.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515819,CNC(=O)c1c(NCc2ccc(C#N)cc2)ccc(Cl)c1,300.08982,[M+H]+,20.0,test,CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1
515820,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1,316.08473,[M+H]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1
515821,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1,316.08473,[M+H]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1
515822,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1,316.08473,[M+H]+,60.0,test,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1
515823,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1,316.08473,[M+H]+,30.0,test,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1
515824,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1,316.08473,[M+H]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1
515825,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1,316.08473,[M+H]+,60.0,test,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1
515826,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1,316.08473,[M+H]+,30.0,test,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1
515827,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1,316.08473,[M+H]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1
515828,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,314.07018,[M-H]-,20.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515829,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,314.07018,[M-H]-,20.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515830,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,314.07018,[M-H]-,60.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515831,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,314.07018,[M-H]-,30.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515832,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,314.07018,[M-H]-,20.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515833,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,314.07018,[M-H]-,60.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515834,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,314.07018,[M-H]-,30.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515835,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,314.07018,[M-H]-,20.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515836,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,350.04685,[M+Cl]-,20.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515837,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,350.04685,[M+Cl]-,20.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515838,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,350.04685,[M+Cl]-,60.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515839,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,350.04685,[M+Cl]-,15.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515840,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,350.04685,[M+Cl]-,20.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515841,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,316.08473,[M+H]+,60.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515842,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,316.08473,[M+H]+,60.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515843,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,316.08473,[M+H]+,20.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515844,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,316.08473,[M+H]+,60.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515845,COc1c(OC)cc2c(Nc3cc(Cl)ccc3)ncnc2c1,316.08473,[M+H]+,60.0,test,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
515846,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,314.07018,[M-H]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515847,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,314.07018,[M-H]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515848,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,314.07018,[M-H]-,60.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515849,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,314.07018,[M-H]-,30.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515850,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,314.07018,[M-H]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515851,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,314.07018,[M-H]-,30.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515852,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,314.07018,[M-H]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515853,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,314.07018,[M-H]-,60.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515854,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,350.04685,[M+Cl]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515855,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,350.04685,[M+Cl]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515856,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,350.04685,[M+Cl]-,60.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515857,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,350.04685,[M+Cl]-,15.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515858,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,350.04685,[M+Cl]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515859,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,360.07566,[M+FA]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515860,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,360.07566,[M+FA]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515861,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,360.07566,[M+FA]-,60.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515862,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,360.07566,[M+FA]-,15.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515863,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,360.07566,[M+FA]-,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515864,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,316.08473,[M+H]+,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515865,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,316.08473,[M+H]+,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515866,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,316.08473,[M+H]+,60.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515867,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,316.08473,[M+H]+,30.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515868,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21,316.08473,[M+H]+,20.0,test,CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21
515869,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1,316.08473,[M+H]+,20.0,test,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1
515870,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1,316.08473,[M+H]+,20.0,test,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1
515871,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1,316.08473,[M+H]+,60.0,test,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1
515872,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1,316.08473,[M+H]+,30.0,test,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1
515873,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1,316.08473,[M+H]+,20.0,test,Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1
515874,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,362.03716,[M-H]-,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515875,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,362.03716,[M-H]-,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515876,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,362.03716,[M-H]-,60.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515877,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,362.03716,[M-H]-,15.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515878,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,362.03716,[M-H]-,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515879,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,398.01384,[M+Cl]-,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515880,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,398.01384,[M+Cl]-,60.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515881,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,398.01384,[M+Cl]-,15.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515882,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,398.01384,[M+Cl]-,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515883,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,408.04264,[M+FA]-,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515884,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,408.04264,[M+FA]-,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515885,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,408.04264,[M+FA]-,60.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515886,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,408.04264,[M+FA]-,15.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515887,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,408.04264,[M+FA]-,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515888,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,364.05172,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515889,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,364.05172,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515890,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,364.05172,[M+H]+,60.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515891,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,364.05172,[M+H]+,30.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515892,COc1c(C(=O)NCCn2cnc3c(scc3)c2=O)ccc(Cl)c1,364.05172,[M+H]+,20.0,test,COc1cc(Cl)ccc1C(=O)NCCn1cnc2ccsc2c1=O
515893,Cc1csc(CCNC(=O)c2c(-c3ccccc3)nc(Cl)s2)n1,364.03396,[M+H]+,20.0,test,Cc1csc(CCNC(=O)c2sc(Cl)nc2-c2ccccc2)n1
515894,Cc1csc(CCNC(=O)c2c(-c3ccccc3)nc(Cl)s2)n1,364.03396,[M+H]+,20.0,test,Cc1csc(CCNC(=O)c2sc(Cl)nc2-c2ccccc2)n1
515895,Cc1csc(CCNC(=O)c2c(-c3ccccc3)nc(Cl)s2)n1,364.03396,[M+H]+,60.0,test,Cc1csc(CCNC(=O)c2sc(Cl)nc2-c2ccccc2)n1
515896,Cc1csc(CCNC(=O)c2c(-c3ccccc3)nc(Cl)s2)n1,364.03396,[M+H]+,30.0,test,Cc1csc(CCNC(=O)c2sc(Cl)nc2-c2ccccc2)n1
515897,Cc1csc(CCNC(=O)c2c(-c3ccccc3)nc(Cl)s2)n1,364.03396,[M+H]+,20.0,test,Cc1csc(CCNC(=O)c2sc(Cl)nc2-c2ccccc2)n1
515898,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2,320.06841,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2
515899,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2,320.06841,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2
515900,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2,320.06841,[M+H]+,60.0,test,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2
515901,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2,320.06841,[M+H]+,15.0,test,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2
515902,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2,320.06841,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2
515903,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F,326.0821,[M+H]+,20.0,test,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F
515904,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F,326.0821,[M+H]+,20.0,test,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F
515905,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F,326.0821,[M+H]+,60.0,test,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F
515906,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F,326.0821,[M+H]+,30.0,test,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F
515907,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F,326.0821,[M+H]+,20.0,test,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F
515908,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F,326.0821,[M+H]+,30.0,test,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F
515909,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F,326.0821,[M+H]+,60.0,test,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F
515910,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F,326.0821,[M+H]+,20.0,test,O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F
515911,Cc1c(C(=O)N2CCOCC2c2nocn2)sc2cccc(F)c12,348.08127,[M+H]+,20.0,test,Cc1c(C(=O)N2CCOCC2c2ncon2)sc2cccc(F)c12
515912,Cc1c(C(=O)N2CCOCC2c2nocn2)sc2cccc(F)c12,348.08127,[M+H]+,20.0,test,Cc1c(C(=O)N2CCOCC2c2ncon2)sc2cccc(F)c12
515913,Cc1c(C(=O)N2CCOCC2c2nocn2)sc2cccc(F)c12,348.08127,[M+H]+,60.0,test,Cc1c(C(=O)N2CCOCC2c2ncon2)sc2cccc(F)c12
515914,Cc1c(C(=O)N2CCOCC2c2nocn2)sc2cccc(F)c12,348.08127,[M+H]+,15.0,test,Cc1c(C(=O)N2CCOCC2c2ncon2)sc2cccc(F)c12
515915,Cc1c(C(=O)N2CCOCC2c2nocn2)sc2cccc(F)c12,348.08127,[M+H]+,20.0,test,Cc1c(C(=O)N2CCOCC2c2ncon2)sc2cccc(F)c12
515916,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1,344.11534,[M+H]+,20.0,test,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1
515917,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1,344.11534,[M+H]+,20.0,test,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1
515918,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1,344.11534,[M+H]+,60.0,test,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1
515919,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1,344.11534,[M+H]+,30.0,test,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1
515920,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1,344.11534,[M+H]+,20.0,test,CCOC(=O)CNc1ncncc1-c1nc(-c2ccccc2F)no1
515921,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1,318.06057,[M-H]-,20.0,test,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1
515922,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1,318.06057,[M-H]-,20.0,test,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1
515923,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1,318.06057,[M-H]-,60.0,test,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1
515924,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1,318.06057,[M-H]-,15.0,test,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1
515925,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1,318.06057,[M-H]-,20.0,test,O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(F)cc2)s1
515926,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,329.06015,[M-H]-,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515927,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,329.06015,[M-H]-,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515928,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,329.06015,[M-H]-,60.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515929,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,329.06015,[M-H]-,30.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515930,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,329.06015,[M-H]-,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515931,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,329.06015,[M-H]-,60.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515932,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,329.06015,[M-H]-,30.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515933,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,329.06015,[M-H]-,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515934,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,331.0747,[M+H]+,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515935,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,331.0747,[M+H]+,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515936,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,331.0747,[M+H]+,60.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515937,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,331.0747,[M+H]+,30.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515938,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,331.0747,[M+H]+,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515939,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,348.10125,[M+NH4]+,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515940,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,348.10125,[M+NH4]+,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515941,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,348.10125,[M+NH4]+,60.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515942,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,348.10125,[M+NH4]+,15.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515943,N#Cc1ccccc1S(=O)(=O)NCCc1cc(C(=O)O)ccc1,348.10125,[M+NH4]+,20.0,test,N#Cc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)c1
515944,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,329.06015,[M-H]-,20.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515945,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,329.06015,[M-H]-,20.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515946,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,329.06015,[M-H]-,60.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515947,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,329.06015,[M-H]-,20.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515948,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,329.06015,[M-H]-,45.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515949,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,329.06015,[M-H]-,60.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515950,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,329.06015,[M-H]-,20.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515951,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,329.06015,[M-H]-,45.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515952,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,331.0747,[M+H]+,45.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515953,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,331.0747,[M+H]+,45.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515954,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,331.0747,[M+H]+,20.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515955,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,331.0747,[M+H]+,60.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515956,O=S(=O)(Nc1cc(-c2cocc2)no1)c1cc2c(cc1)CCC2,331.0747,[M+H]+,45.0,test,O=S(=O)(Nc1cc(-c2ccoc2)no1)c1ccc2c(c1)CCC2
515957,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,329.06015,[M-H]-,20.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515958,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,329.06015,[M-H]-,20.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515959,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,329.06015,[M-H]-,30.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515960,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,329.06015,[M-H]-,60.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515961,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,329.06015,[M-H]-,15.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515962,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,329.06015,[M-H]-,20.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515963,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,329.06015,[M-H]-,20.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515964,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,329.06015,[M-H]-,60.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515965,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,331.0747,[M+H]+,20.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515966,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,331.0747,[M+H]+,20.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515967,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,331.0747,[M+H]+,60.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515968,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,331.0747,[M+H]+,15.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515969,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,331.0747,[M+H]+,20.0,test,CC(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1
515970,Cc1c(C(=O)OC(C)c2ccncc2)sc(-c2ncccn2)n1,327.09102,[M+H]+,20.0,test,Cc1nc(-c2ncccn2)sc1C(=O)OC(C)c1ccncc1
515971,Cc1c(C(=O)OC(C)c2ccncc2)sc(-c2ncccn2)n1,327.09102,[M+H]+,20.0,test,Cc1nc(-c2ncccn2)sc1C(=O)OC(C)c1ccncc1
515972,Cc1c(C(=O)OC(C)c2ccncc2)sc(-c2ncccn2)n1,327.09102,[M+H]+,60.0,test,Cc1nc(-c2ncccn2)sc1C(=O)OC(C)c1ccncc1
515973,Cc1c(C(=O)OC(C)c2ccncc2)sc(-c2ncccn2)n1,327.09102,[M+H]+,30.0,test,Cc1nc(-c2ncccn2)sc1C(=O)OC(C)c1ccncc1
515974,Cc1c(C(=O)OC(C)c2ccncc2)sc(-c2ncccn2)n1,327.09102,[M+H]+,20.0,test,Cc1nc(-c2ncccn2)sc1C(=O)OC(C)c1ccncc1
515975,Cc1c(C(=O)OC(C)c2ccncc2)sc(-c2ncccn2)n1,327.09102,[M+H]+,60.0,test,Cc1nc(-c2ncccn2)sc1C(=O)OC(C)c1ccncc1
515976,Cc1c(C(=O)OC(C)c2ccncc2)sc(-c2ncccn2)n1,327.09102,[M+H]+,30.0,test,Cc1nc(-c2ncccn2)sc1C(=O)OC(C)c1ccncc1
515977,Cc1c(C(=O)OC(C)c2ccncc2)sc(-c2ncccn2)n1,327.09102,[M+H]+,20.0,test,Cc1nc(-c2ncccn2)sc1C(=O)OC(C)c1ccncc1
515978,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,325.07647,[M-H]-,20.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515979,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,325.07647,[M-H]-,20.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515980,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,325.07647,[M-H]-,60.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515981,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,325.07647,[M-H]-,30.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515982,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,325.07647,[M-H]-,20.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515983,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,327.09102,[M+H]+,20.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515984,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,327.09102,[M+H]+,20.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515985,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,327.09102,[M+H]+,30.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515986,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,327.09102,[M+H]+,60.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515987,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,327.09102,[M+H]+,15.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515988,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,327.09102,[M+H]+,20.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515989,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,327.09102,[M+H]+,60.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515990,O=C(NCc1cc(O)ccc1)Nc1nc(-c2ccncc2)cs1,327.09102,[M+H]+,20.0,test,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
515991,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,325.07647,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
515992,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,325.07647,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
515993,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,325.07647,[M-H]-,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
515994,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,325.07647,[M-H]-,30.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
515995,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,325.07647,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
515996,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,325.07647,[M-H]-,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
515997,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,325.07647,[M-H]-,30.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
515998,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,325.07647,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
515999,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,327.09102,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516000,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,327.09102,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516001,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,327.09102,[M+H]+,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516002,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,327.09102,[M+H]+,15.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516003,Cc1n[nH]c(SCC(=O)Nc2cc3ccccc3cc2)nc1=O,327.09102,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516004,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,325.07647,[M-H]-,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516005,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,325.07647,[M-H]-,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516006,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,325.07647,[M-H]-,60.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516007,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,325.07647,[M-H]-,30.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516008,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,325.07647,[M-H]-,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516009,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,325.07647,[M-H]-,30.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516010,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,325.07647,[M-H]-,60.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516011,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,325.07647,[M-H]-,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516012,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,361.05315,[M+Cl]-,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516013,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,361.05315,[M+Cl]-,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516014,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,361.05315,[M+Cl]-,60.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516015,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,361.05315,[M+Cl]-,15.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516016,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,361.05315,[M+Cl]-,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516017,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,325.07647,[M-H]-,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516018,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,325.07647,[M-H]-,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516019,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,325.07647,[M-H]-,60.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516020,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,325.07647,[M-H]-,15.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516021,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,325.07647,[M-H]-,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516022,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,325.07647,[M-H]-,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516023,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,325.07647,[M-H]-,15.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516024,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,325.07647,[M-H]-,60.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516025,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,361.05315,[M+Cl]-,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516026,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,361.05315,[M+Cl]-,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516027,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,361.05315,[M+Cl]-,15.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516028,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,361.05315,[M+Cl]-,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516029,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,361.05315,[M+Cl]-,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516030,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,361.05315,[M+Cl]-,15.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516031,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,361.05315,[M+Cl]-,60.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516032,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,325.07647,[M-H]-,20.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516033,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,325.07647,[M-H]-,20.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516034,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,325.07647,[M-H]-,45.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516035,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,325.07647,[M-H]-,60.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516036,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,325.07647,[M-H]-,20.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516037,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,325.07647,[M-H]-,20.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516038,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,325.07647,[M-H]-,45.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516039,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,325.07647,[M-H]-,60.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516040,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,325.07647,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516041,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,325.07647,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516042,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,325.07647,[M-H]-,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516043,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,325.07647,[M-H]-,30.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516044,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,325.07647,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516045,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,325.07647,[M-H]-,30.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516046,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,325.07647,[M-H]-,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516047,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,325.07647,[M-H]-,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516048,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,325.07647,[M-H]-,30.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516049,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,325.07647,[M-H]-,30.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516050,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,325.07647,[M-H]-,20.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516051,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,325.07647,[M-H]-,60.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516052,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,325.07647,[M-H]-,30.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516053,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,325.07647,[M-H]-,20.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516054,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,325.07647,[M-H]-,20.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516055,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,325.07647,[M-H]-,60.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516056,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,325.07647,[M-H]-,20.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516057,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,325.07647,[M-H]-,60.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516058,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,325.07647,[M-H]-,20.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516059,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,325.07647,[M-H]-,20.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516060,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,325.07647,[M-H]-,20.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516061,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,325.07647,[M-H]-,45.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516062,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,325.07647,[M-H]-,60.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516063,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,325.07647,[M-H]-,20.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516064,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,325.07647,[M-H]-,45.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516065,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,325.07647,[M-H]-,20.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516066,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,325.07647,[M-H]-,60.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516067,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1,327.09102,[M+H]+,20.0,test,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1
516068,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1,327.09102,[M+H]+,20.0,test,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1
516069,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1,327.09102,[M+H]+,45.0,test,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1
516070,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1,327.09102,[M+H]+,60.0,test,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1
516071,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1,327.09102,[M+H]+,20.0,test,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1
516072,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1,327.09102,[M+H]+,60.0,test,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1
516073,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1,327.09102,[M+H]+,20.0,test,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1
516074,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1,327.09102,[M+H]+,45.0,test,COc1ccc(Cc2nn3c(-c4ccoc4C)nnc3s2)cc1
516075,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,327.09102,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516076,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,327.09102,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516077,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,327.09102,[M+H]+,60.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516078,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,327.09102,[M+H]+,15.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516079,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O,327.09102,[M+H]+,20.0,test,Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1=O
516080,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,327.09102,[M+H]+,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516081,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,327.09102,[M+H]+,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516082,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,327.09102,[M+H]+,60.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516083,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,327.09102,[M+H]+,15.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516084,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1,327.09102,[M+H]+,20.0,test,Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1
516085,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,327.09102,[M+H]+,20.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516086,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,327.09102,[M+H]+,20.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516087,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,327.09102,[M+H]+,60.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516088,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,327.09102,[M+H]+,30.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516089,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1,327.09102,[M+H]+,20.0,test,CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
516090,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,327.09102,[M+H]+,20.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516091,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,327.09102,[M+H]+,20.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516092,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,327.09102,[M+H]+,60.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516093,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,327.09102,[M+H]+,30.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516094,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,327.09102,[M+H]+,20.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516095,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,327.09102,[M+H]+,30.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516096,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,327.09102,[M+H]+,60.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516097,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1,327.09102,[M+H]+,20.0,test,CCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
516098,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,327.09102,[M+H]+,20.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516099,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,327.09102,[M+H]+,20.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516100,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,327.09102,[M+H]+,45.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516101,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,327.09102,[M+H]+,60.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516102,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,327.09102,[M+H]+,20.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516103,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,327.09102,[M+H]+,45.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516104,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,327.09102,[M+H]+,60.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516105,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O,327.09102,[M+H]+,20.0,test,Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O
516106,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1,327.09102,[M+H]+,20.0,test,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1
516107,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1,327.09102,[M+H]+,20.0,test,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1
516108,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1,327.09102,[M+H]+,60.0,test,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1
516109,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1,327.09102,[M+H]+,30.0,test,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1
516110,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1,327.09102,[M+H]+,20.0,test,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1
516111,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1,327.09102,[M+H]+,30.0,test,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1
516112,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1,327.09102,[M+H]+,20.0,test,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1
516113,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1,327.09102,[M+H]+,60.0,test,Cn1nnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1
516114,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,327.09102,[M+H]+,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516115,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,327.09102,[M+H]+,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516116,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,327.09102,[M+H]+,60.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516117,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,327.09102,[M+H]+,30.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516118,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,327.09102,[M+H]+,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516119,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,327.09102,[M+H]+,60.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516120,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,327.09102,[M+H]+,30.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516121,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1,327.09102,[M+H]+,20.0,test,O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2cccnc2)C1
516122,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,327.09102,[M+H]+,30.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516123,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,327.09102,[M+H]+,30.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516124,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,327.09102,[M+H]+,60.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516125,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,327.09102,[M+H]+,20.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516126,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1,327.09102,[M+H]+,30.0,test,COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1
516127,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1,327.09102,[M+H]+,20.0,test,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1
516128,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1,327.09102,[M+H]+,20.0,test,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1
516129,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1,327.09102,[M+H]+,60.0,test,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1
516130,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1,327.09102,[M+H]+,30.0,test,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1
516131,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1,327.09102,[M+H]+,20.0,test,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1
516132,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1,327.09102,[M+H]+,30.0,test,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1
516133,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1,327.09102,[M+H]+,60.0,test,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1
516134,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1,327.09102,[M+H]+,20.0,test,O=C(NCc1nccnc1-c1cccs1)OCc1cccnc1
516135,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,327.10878,[M+H]+,20.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516136,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,327.10878,[M+H]+,20.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516137,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,327.10878,[M+H]+,60.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516138,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,327.10878,[M+H]+,20.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516139,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,327.10878,[M+H]+,45.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516140,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,327.10878,[M+H]+,60.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516141,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,327.10878,[M+H]+,20.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516142,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,327.10878,[M+H]+,45.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516143,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,344.13533,[M+NH4]+,15.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516144,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,344.13533,[M+NH4]+,15.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516145,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,344.13533,[M+NH4]+,20.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516146,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,344.13533,[M+NH4]+,60.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516147,Cc1c(C(=O)NCc2cc(-n3ccc(C(=O)O)n3)ccc2)nco1,344.13533,[M+NH4]+,15.0,test,Cc1ocnc1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1
516148,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,325.09423,[M-H]-,20.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516149,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,325.09423,[M-H]-,20.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516150,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,325.09423,[M-H]-,60.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516151,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,325.09423,[M-H]-,15.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516152,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,325.09423,[M-H]-,20.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516153,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,327.10878,[M+H]+,20.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516154,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,327.10878,[M+H]+,20.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516155,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,327.10878,[M+H]+,60.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516156,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,327.10878,[M+H]+,30.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516157,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1,327.10878,[M+H]+,20.0,test,O=C(NC(C(=O)O)n1nnc2ccccc21)OCc1ccccc1
516158,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1,327.10878,[M+H]+,20.0,test,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1
516159,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1,327.10878,[M+H]+,20.0,test,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1
516160,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1,327.10878,[M+H]+,60.0,test,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1
516161,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1,327.10878,[M+H]+,30.0,test,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1
516162,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1,327.10878,[M+H]+,20.0,test,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1
516163,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1,327.10878,[M+H]+,60.0,test,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1
516164,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1,327.10878,[M+H]+,30.0,test,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1
516165,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1,327.10878,[M+H]+,20.0,test,CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1
516166,CCc1noc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)c1,424.96347,[M-H]-,20.0,test,CCc1cc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1
516167,CCc1noc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)c1,424.96347,[M-H]-,20.0,test,CCc1cc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1
516168,CCc1noc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)c1,424.96347,[M-H]-,30.0,test,CCc1cc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1
516169,CCc1noc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)c1,424.96347,[M-H]-,60.0,test,CCc1cc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1
516170,CCc1noc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)c1,424.96347,[M-H]-,20.0,test,CCc1cc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1
516171,CCc1noc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)c1,424.96347,[M-H]-,45.0,test,CCc1cc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1
516172,CCc1noc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)c1,424.96347,[M-H]-,60.0,test,CCc1cc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1
516173,CCc1noc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)c1,424.96347,[M-H]-,20.0,test,CCc1cc(-c2csc(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1
516174,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,424.96347,[M-H]-,20.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516175,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,424.96347,[M-H]-,20.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516176,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,424.96347,[M-H]-,45.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516177,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,424.96347,[M-H]-,60.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516178,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,424.96347,[M-H]-,20.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516179,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,424.96347,[M-H]-,60.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516180,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,424.96347,[M-H]-,45.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516181,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,424.96347,[M-H]-,20.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516182,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,426.97802,[M+H]+,20.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516183,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,426.97802,[M+H]+,20.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516184,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,426.97802,[M+H]+,45.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516185,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,426.97802,[M+H]+,60.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516186,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1,426.97802,[M+H]+,20.0,test,CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1
516187,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1,375.02736,[M+H]+,20.0,test,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1
516188,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1,375.02736,[M+H]+,20.0,test,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1
516189,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1,375.02736,[M+H]+,60.0,test,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1
516190,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1,375.02736,[M+H]+,30.0,test,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1
516191,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1,375.02736,[M+H]+,20.0,test,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1
516192,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1,375.02736,[M+H]+,60.0,test,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1
516193,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1,375.02736,[M+H]+,30.0,test,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1
516194,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1,375.02736,[M+H]+,20.0,test,Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2N)cc1
516195,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl,336.06649,[M+H]+,45.0,test,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl
516196,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl,336.06649,[M+H]+,45.0,test,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl
516197,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl,336.06649,[M+H]+,45.0,test,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl
516198,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl,336.06649,[M+H]+,20.0,test,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl
516199,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl,336.06649,[M+H]+,60.0,test,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl
516200,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl,336.06649,[M+H]+,60.0,test,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl
516201,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl,336.06649,[M+H]+,45.0,test,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl
516202,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl,336.06649,[M+H]+,20.0,test,O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl
516203,O=C(COc1c(Cl)cc(Cl)cc1)N1CCC(Oc2ncncc2)C1,368.05632,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncn2)C1
516204,O=C(COc1c(Cl)cc(Cl)cc1)N1CCC(Oc2ncncc2)C1,368.05632,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncn2)C1
516205,O=C(COc1c(Cl)cc(Cl)cc1)N1CCC(Oc2ncncc2)C1,368.05632,[M+H]+,60.0,test,O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncn2)C1
516206,O=C(COc1c(Cl)cc(Cl)cc1)N1CCC(Oc2ncncc2)C1,368.05632,[M+H]+,30.0,test,O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncn2)C1
516207,O=C(COc1c(Cl)cc(Cl)cc1)N1CCC(Oc2ncncc2)C1,368.05632,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncn2)C1
516208,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1,320.09604,[M+H]+,20.0,test,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1
516209,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1,320.09604,[M+H]+,20.0,test,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1
516210,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1,320.09604,[M+H]+,45.0,test,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1
516211,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1,320.09604,[M+H]+,60.0,test,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1
516212,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1,320.09604,[M+H]+,20.0,test,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1
516213,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1,320.09604,[M+H]+,60.0,test,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1
516214,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1,320.09604,[M+H]+,45.0,test,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1
516215,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1,320.09604,[M+H]+,20.0,test,O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1
516216,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,317.06984,[M-H]-,30.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516217,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,317.06984,[M-H]-,30.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516218,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,317.06984,[M-H]-,20.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516219,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,317.06984,[M-H]-,60.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516220,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,317.06984,[M-H]-,30.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516221,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,319.0844,[M+H]+,20.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516222,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,319.0844,[M+H]+,20.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516223,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,319.0844,[M+H]+,60.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516224,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,319.0844,[M+H]+,20.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516225,Cc1c(NC(=O)Cc2cc3c(OCCO3)c(Cl)c2)cncc1,319.0844,[M+H]+,45.0,test,Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2
516226,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,412.98606,[M-H]-,20.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516227,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,412.98606,[M-H]-,20.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516228,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,412.98606,[M-H]-,60.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516229,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,412.98606,[M-H]-,15.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516230,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,412.98606,[M-H]-,20.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516231,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,412.98606,[M-H]-,60.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516232,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,412.98606,[M-H]-,15.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516233,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,412.98606,[M-H]-,20.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516234,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,415.00061,[M+H]+,20.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516235,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,415.00061,[M+H]+,20.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516236,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,415.00061,[M+H]+,60.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516237,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,415.00061,[M+H]+,20.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516238,CSc1nc2c(cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2)s1,415.00061,[M+H]+,45.0,test,CSc1nc2ccc(S(=O)(=O)NCCOc3ccc(Cl)cc3)cc2s1
516239,Clc1ccc(C2CCCN2c2c3cc[nH]c3ncn2)cc1,299.1058,[M+H]+,20.0,test,Clc1ccc(C2CCCN2c2ncnc3[nH]ccc23)cc1
516240,Clc1ccc(C2CCCN2c2c3cc[nH]c3ncn2)cc1,299.1058,[M+H]+,20.0,test,Clc1ccc(C2CCCN2c2ncnc3[nH]ccc23)cc1
516241,Clc1ccc(C2CCCN2c2c3cc[nH]c3ncn2)cc1,299.1058,[M+H]+,60.0,test,Clc1ccc(C2CCCN2c2ncnc3[nH]ccc23)cc1
516242,Clc1ccc(C2CCCN2c2c3cc[nH]c3ncn2)cc1,299.1058,[M+H]+,15.0,test,Clc1ccc(C2CCCN2c2ncnc3[nH]ccc23)cc1
516243,Clc1ccc(C2CCCN2c2c3cc[nH]c3ncn2)cc1,299.1058,[M+H]+,20.0,test,Clc1ccc(C2CCCN2c2ncnc3[nH]ccc23)cc1
516244,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21,395.05753,[M+H]+,20.0,test,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21
516245,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21,395.05753,[M+H]+,20.0,test,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21
516246,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21,395.05753,[M+H]+,30.0,test,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21
516247,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21,395.05753,[M+H]+,60.0,test,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21
516248,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21,395.05753,[M+H]+,20.0,test,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21
516249,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21,395.05753,[M+H]+,45.0,test,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21
516250,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21,395.05753,[M+H]+,60.0,test,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21
516251,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21,395.05753,[M+H]+,20.0,test,COC(=O)Cn1c(Sc2cccc(Cl)c2)nc2c(=O)n(C)c(=O)n(C)c21
516252,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,351.10743,[M-H]-,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516253,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,351.10743,[M-H]-,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516254,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,351.10743,[M-H]-,60.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516255,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,351.10743,[M-H]-,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516256,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,351.10743,[M-H]-,45.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516257,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,351.10743,[M-H]-,60.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516258,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,351.10743,[M-H]-,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516259,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,351.10743,[M-H]-,45.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516260,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,397.11291,[M+FA]-,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516261,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,397.11291,[M+FA]-,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516262,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,397.11291,[M+FA]-,60.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516263,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,397.11291,[M+FA]-,15.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516264,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,397.11291,[M+FA]-,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516265,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,353.12199,[M+H]+,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516266,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,353.12199,[M+H]+,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516267,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,353.12199,[M+H]+,60.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516268,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,353.12199,[M+H]+,20.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516269,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,353.12199,[M+H]+,45.0,test,Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
516270,CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)nc1,351.10743,[M-H]-,20.0,test,CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1
516271,CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)nc1,351.10743,[M-H]-,20.0,test,CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1
516272,CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)nc1,351.10743,[M-H]-,60.0,test,CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1
516273,CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)nc1,351.10743,[M-H]-,30.0,test,CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1
516274,CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)nc1,351.10743,[M-H]-,20.0,test,CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1
516275,CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)nc1,387.08411,[M+Cl]-,20.0,test,CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1
516276,CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)nc1,387.08411,[M+Cl]-,60.0,test,CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1
516277,CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)nc1,387.08411,[M+Cl]-,15.0,test,CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1
516278,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516279,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516280,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516281,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516282,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516283,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516284,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,333.09239,[M+Cl]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516285,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,333.09239,[M+Cl]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516286,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,333.09239,[M+Cl]-,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516287,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,333.09239,[M+Cl]-,15.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516288,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,333.09239,[M+Cl]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516289,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516290,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516291,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516292,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516293,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,45.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516294,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516295,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516296,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,45.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516297,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516298,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516299,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516300,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516301,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516302,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,297.11571,[M-H]-,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516303,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516304,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516305,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516306,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,15.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516307,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516308,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,45.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516309,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,60.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516310,C[C@]12CCCN1CC1=NNC(=O)c3c4c1c2[nH]c4cc(F)c3,299.13027,[M+H]+,20.0,test,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
516311,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,361.0595,[M-H]-,20.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516312,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,361.0595,[M-H]-,20.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516313,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,361.0595,[M-H]-,15.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516314,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,361.0595,[M-H]-,60.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516315,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,361.0595,[M-H]-,30.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516316,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,361.0595,[M-H]-,20.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516317,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,361.0595,[M-H]-,60.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516318,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,361.0595,[M-H]-,20.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516319,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,363.07405,[M+H]+,20.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516320,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,363.07405,[M+H]+,20.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516321,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,363.07405,[M+H]+,60.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516322,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,363.07405,[M+H]+,15.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516323,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,363.07405,[M+H]+,20.0,test,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
516324,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,328.07614,[M-H]-,20.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516325,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,328.07614,[M-H]-,20.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516326,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,328.07614,[M-H]-,60.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516327,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,328.07614,[M-H]-,20.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516328,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,328.07614,[M-H]-,45.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516329,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,328.07614,[M-H]-,20.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516330,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,328.07614,[M-H]-,20.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516331,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,328.07614,[M-H]-,60.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516332,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,328.07614,[M-H]-,30.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516333,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,328.07614,[M-H]-,20.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516334,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,328.07614,[M-H]-,20.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516335,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,328.07614,[M-H]-,20.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516336,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,328.07614,[M-H]-,60.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516337,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,328.07614,[M-H]-,20.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516338,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,328.07614,[M-H]-,45.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516339,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,330.09069,[M+H]+,20.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516340,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,330.09069,[M+H]+,20.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516341,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,330.09069,[M+H]+,60.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516342,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,330.09069,[M+H]+,20.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516343,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,330.09069,[M+H]+,45.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516344,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,330.09069,[M+H]+,60.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516345,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,330.09069,[M+H]+,20.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516346,Cc1c(C(=O)NC2CCC(=O)NC2=O)ccc(-c2cccs2)n1,330.09069,[M+H]+,45.0,test,Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(=O)NC1=O
516347,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,330.09069,[M+H]+,20.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516348,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,330.09069,[M+H]+,20.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516349,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,330.09069,[M+H]+,60.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516350,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,330.09069,[M+H]+,30.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516351,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,330.09069,[M+H]+,20.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516352,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,330.09069,[M+H]+,60.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516353,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,330.09069,[M+H]+,30.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516354,O=C(Nc1cc2c(cc1)ncs2)c1coc(C2CCOCC2)n1,330.09069,[M+H]+,20.0,test,O=C(Nc1ccc2ncsc2c1)c1coc(C2CCOCC2)n1
516355,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,330.09069,[M+H]+,20.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516356,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,330.09069,[M+H]+,20.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516357,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,330.09069,[M+H]+,60.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516358,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,330.09069,[M+H]+,15.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516359,Cc1csc(-c2cc(C(=O)NC3CCC(=O)NC3=O)ccc2)n1,330.09069,[M+H]+,20.0,test,Cc1csc(-c2cccc(C(=O)NC3CCC(=O)NC3=O)c2)n1
516360,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,20.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516361,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,20.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516362,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,60.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516363,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,30.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516364,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,20.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516365,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,328.07614,[M-H]-,20.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516366,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,328.07614,[M-H]-,20.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516367,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,328.07614,[M-H]-,60.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516368,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,328.07614,[M-H]-,15.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516369,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,328.07614,[M-H]-,20.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516370,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,328.07614,[M-H]-,15.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516371,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,328.07614,[M-H]-,20.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516372,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,328.07614,[M-H]-,60.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516373,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,328.07614,[M-H]-,20.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516374,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,328.07614,[M-H]-,20.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516375,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,328.07614,[M-H]-,45.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516376,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,328.07614,[M-H]-,60.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516377,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,328.07614,[M-H]-,20.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516378,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,328.07614,[M-H]-,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516379,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,328.07614,[M-H]-,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516380,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,328.07614,[M-H]-,45.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516381,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,328.07614,[M-H]-,60.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516382,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,328.07614,[M-H]-,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516383,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,328.07614,[M-H]-,45.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516384,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,328.07614,[M-H]-,60.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516385,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,328.07614,[M-H]-,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516386,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,364.05281,[M+Cl]-,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516387,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,364.05281,[M+Cl]-,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516388,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,364.05281,[M+Cl]-,60.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516389,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,364.05281,[M+Cl]-,15.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516390,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,364.05281,[M+Cl]-,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516391,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,328.07614,[M-H]-,20.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516392,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,328.07614,[M-H]-,20.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516393,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,328.07614,[M-H]-,60.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516394,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,328.07614,[M-H]-,30.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516395,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,328.07614,[M-H]-,20.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516396,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,328.07614,[M-H]-,30.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516397,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,328.07614,[M-H]-,20.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516398,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,328.07614,[M-H]-,60.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516399,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,328.07614,[M-H]-,20.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516400,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,328.07614,[M-H]-,20.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516401,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,328.07614,[M-H]-,45.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516402,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,328.07614,[M-H]-,60.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516403,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,328.07614,[M-H]-,20.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516404,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,328.07614,[M-H]-,45.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516405,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,328.07614,[M-H]-,60.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516406,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,328.07614,[M-H]-,20.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516407,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,328.07614,[M-H]-,20.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516408,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,328.07614,[M-H]-,20.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516409,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,328.07614,[M-H]-,60.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516410,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,328.07614,[M-H]-,15.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516411,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,328.07614,[M-H]-,20.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516412,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,330.09069,[M+H]+,20.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516413,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,330.09069,[M+H]+,20.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516414,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,330.09069,[M+H]+,45.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516415,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,330.09069,[M+H]+,60.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516416,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,330.09069,[M+H]+,20.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516417,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,330.09069,[M+H]+,45.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516418,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,330.09069,[M+H]+,60.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516419,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12,330.09069,[M+H]+,20.0,test,Cc1nn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c2ccccc12
516420,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,330.09069,[M+H]+,20.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516421,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,330.09069,[M+H]+,20.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516422,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,330.09069,[M+H]+,60.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516423,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,330.09069,[M+H]+,15.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516424,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1,330.09069,[M+H]+,20.0,test,COc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1
516425,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,330.09069,[M+H]+,20.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516426,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,330.09069,[M+H]+,20.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516427,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,330.09069,[M+H]+,60.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516428,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,330.09069,[M+H]+,30.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516429,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,330.09069,[M+H]+,20.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516430,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,330.09069,[M+H]+,60.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516431,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,330.09069,[M+H]+,30.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516432,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1,330.09069,[M+H]+,20.0,test,COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1
516433,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1,330.09069,[M+H]+,20.0,test,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1
516434,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1,330.09069,[M+H]+,20.0,test,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1
516435,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1,330.09069,[M+H]+,60.0,test,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1
516436,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1,330.09069,[M+H]+,30.0,test,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1
516437,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1,330.09069,[M+H]+,20.0,test,Cc1nc2scc(C)n2c(=O)c1NC(=O)COc1ccccc1
516438,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2,330.09069,[M+H]+,20.0,test,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2
516439,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2,330.09069,[M+H]+,20.0,test,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2
516440,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2,330.09069,[M+H]+,60.0,test,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2
516441,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2,330.09069,[M+H]+,30.0,test,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2
516442,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2,330.09069,[M+H]+,20.0,test,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2
516443,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2,330.09069,[M+H]+,60.0,test,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2
516444,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2,330.09069,[M+H]+,30.0,test,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2
516445,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2,330.09069,[M+H]+,20.0,test,O=C(NC(=S)NCc1cccnc1)c1ccc2c(c1)OCCO2
516446,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C,330.09069,[M+H]+,20.0,test,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C
516447,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C,330.09069,[M+H]+,20.0,test,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C
516448,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C,330.09069,[M+H]+,60.0,test,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C
516449,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C,330.09069,[M+H]+,30.0,test,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C
516450,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C,330.09069,[M+H]+,20.0,test,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C
516451,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C,330.09069,[M+H]+,60.0,test,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C
516452,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C,330.09069,[M+H]+,30.0,test,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C
516453,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C,330.09069,[M+H]+,20.0,test,COC(=O)c1sc2ccccc2c1NC(=O)c1c(C)cnn1C
516454,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,312.08013,[M+H-H2O]+,30.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516455,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,312.08013,[M+H-H2O]+,20.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516456,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,312.08013,[M+H-H2O]+,30.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516457,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,330.09069,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516458,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,330.09069,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516459,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,330.09069,[M+H]+,60.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516460,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,330.09069,[M+H]+,30.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516461,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,330.09069,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516462,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,330.09069,[M+H]+,30.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516463,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,330.09069,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516464,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1,330.09069,[M+H]+,60.0,test,COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)c(OC)c1
516465,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,330.09069,[M+H]+,20.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516466,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,330.09069,[M+H]+,20.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516467,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,330.09069,[M+H]+,60.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516468,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,330.09069,[M+H]+,30.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516469,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,330.09069,[M+H]+,20.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516470,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,330.09069,[M+H]+,60.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516471,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,330.09069,[M+H]+,30.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516472,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1,330.09069,[M+H]+,20.0,test,CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
516473,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,330.09069,[M+H]+,20.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516474,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,330.09069,[M+H]+,20.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516475,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,330.09069,[M+H]+,60.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516476,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,330.09069,[M+H]+,15.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516477,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1,330.09069,[M+H]+,20.0,test,Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1
516478,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,330.09069,[M+H]+,20.0,test,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
516479,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,330.09069,[M+H]+,20.0,test,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
516480,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,330.09069,[M+H]+,60.0,test,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
516481,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,330.09069,[M+H]+,30.0,test,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
516482,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,330.09069,[M+H]+,20.0,test,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
516483,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,330.09069,[M+H]+,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516484,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,330.09069,[M+H]+,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516485,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,330.09069,[M+H]+,30.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516486,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,330.09069,[M+H]+,60.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516487,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,330.09069,[M+H]+,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516488,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,330.09069,[M+H]+,45.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516489,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,330.09069,[M+H]+,60.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516490,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12,330.09069,[M+H]+,20.0,test,CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
516491,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1,330.09069,[M+H]+,20.0,test,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1
516492,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1,330.09069,[M+H]+,20.0,test,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1
516493,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1,330.09069,[M+H]+,60.0,test,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1
516494,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1,330.09069,[M+H]+,30.0,test,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1
516495,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1,330.09069,[M+H]+,20.0,test,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1
516496,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1,330.09069,[M+H]+,30.0,test,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1
516497,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1,330.09069,[M+H]+,60.0,test,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1
516498,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1,330.09069,[M+H]+,20.0,test,COc1cc(CSc2nc(=O)n3ccccc3n2)cc(OC)c1
516499,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,20.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516500,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,20.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516501,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,60.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516502,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,30.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516503,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,20.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516504,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,60.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516505,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,30.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516506,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1,330.09069,[M+H]+,20.0,test,COC(=O)CNC(=O)c1csc(-c2cc3ccccc3n2C)n1
516507,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O,330.09069,[M+H]+,20.0,test,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O
516508,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O,330.09069,[M+H]+,20.0,test,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O
516509,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O,330.09069,[M+H]+,60.0,test,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O
516510,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O,330.09069,[M+H]+,30.0,test,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O
516511,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O,330.09069,[M+H]+,20.0,test,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O
516512,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O,330.09069,[M+H]+,30.0,test,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O
516513,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O,330.09069,[M+H]+,60.0,test,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O
516514,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O,330.09069,[M+H]+,20.0,test,O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O
516515,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1,330.09069,[M+H]+,20.0,test,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1
516516,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1,330.09069,[M+H]+,20.0,test,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1
516517,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1,330.09069,[M+H]+,60.0,test,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1
516518,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1,330.09069,[M+H]+,15.0,test,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1
516519,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1,330.09069,[M+H]+,20.0,test,Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c(C)o1
516520,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1,399.01056,[M+H]+,20.0,test,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1
516521,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1,399.01056,[M+H]+,20.0,test,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1
516522,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1,399.01056,[M+H]+,15.0,test,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1
516523,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1,399.01056,[M+H]+,60.0,test,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1
516524,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1,399.01056,[M+H]+,20.0,test,O=C(c1ccc(Br)o1)N1CCC(COc2ccncc2Cl)CC1
516525,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1,362.04987,[M+H]+,20.0,test,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1
516526,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1,362.04987,[M+H]+,20.0,test,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1
516527,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1,362.04987,[M+H]+,60.0,test,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1
516528,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1,362.04987,[M+H]+,30.0,test,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1
516529,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1,362.04987,[M+H]+,20.0,test,O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Br)C1
516530,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,392.00738,[M-H]-,20.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516531,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,392.00738,[M-H]-,20.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516532,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,392.00738,[M-H]-,60.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516533,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,392.00738,[M-H]-,15.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516534,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,392.00738,[M-H]-,20.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516535,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,394.02194,[M+H]+,20.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516536,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,394.02194,[M+H]+,20.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516537,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,394.02194,[M+H]+,60.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516538,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,394.02194,[M+H]+,15.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516539,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1,394.02194,[M+H]+,20.0,test,O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1
516540,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,392.00738,[M-H]-,20.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516541,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,392.00738,[M-H]-,20.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516542,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,392.00738,[M-H]-,60.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516543,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,392.00738,[M-H]-,30.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516544,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,392.00738,[M-H]-,20.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516545,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,392.00738,[M-H]-,30.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516546,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,392.00738,[M-H]-,60.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516547,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,392.00738,[M-H]-,20.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516548,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,394.02194,[M+H]+,20.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516549,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,394.02194,[M+H]+,20.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516550,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,394.02194,[M+H]+,60.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516551,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,394.02194,[M+H]+,15.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516552,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,394.02194,[M+H]+,20.0,test,COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br
516553,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,373.02828,[M+Cl]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516554,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,373.02828,[M+Cl]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516555,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,373.02828,[M+Cl]-,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516556,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,373.02828,[M+Cl]-,15.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516557,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,373.02828,[M+Cl]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516558,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,383.05709,[M+FA]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516559,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,383.05709,[M+FA]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516560,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,383.05709,[M+FA]-,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516561,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,383.05709,[M+FA]-,15.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516562,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,383.05709,[M+FA]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516563,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,383.05709,[M+FA]-,15.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516564,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,383.05709,[M+FA]-,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516565,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,383.05709,[M+FA]-,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516566,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,339.06616,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516567,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,339.06616,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516568,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,339.06616,[M+H]+,45.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516569,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,339.06616,[M+H]+,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516570,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,339.06616,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516571,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,339.06616,[M+H]+,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516572,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,339.06616,[M+H]+,45.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516573,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1,339.06616,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1
516574,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1,339.06616,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1
516575,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1,339.06616,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1
516576,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1,339.06616,[M+H]+,60.0,test,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1
516577,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1,339.06616,[M+H]+,30.0,test,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1
516578,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1,339.06616,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1
516579,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1,339.06616,[M+H]+,60.0,test,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1
516580,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1,339.06616,[M+H]+,30.0,test,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1
516581,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1,339.06616,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1
516582,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2cc(Cl)c(Cl)cc2)n1,379.08354,[M+H]+,20.0,test,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
516583,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2cc(Cl)c(Cl)cc2)n1,379.08354,[M+H]+,20.0,test,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
516584,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2cc(Cl)c(Cl)cc2)n1,379.08354,[M+H]+,60.0,test,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
516585,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2cc(Cl)c(Cl)cc2)n1,379.08354,[M+H]+,30.0,test,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
516586,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2cc(Cl)c(Cl)cc2)n1,379.08354,[M+H]+,20.0,test,Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
516587,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,387.08411,[M-H]-,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516588,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,387.08411,[M-H]-,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516589,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,387.08411,[M-H]-,60.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516590,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,387.08411,[M-H]-,30.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516591,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,387.08411,[M-H]-,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516592,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,387.08411,[M-H]-,60.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516593,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,387.08411,[M-H]-,30.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516594,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,387.08411,[M-H]-,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516595,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,433.08959,[M+FA]-,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516596,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,433.08959,[M+FA]-,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516597,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,433.08959,[M+FA]-,60.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516598,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,433.08959,[M+FA]-,15.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516599,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,433.08959,[M+FA]-,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516600,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,389.09866,[M+H]+,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516601,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,389.09866,[M+H]+,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516602,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,389.09866,[M+H]+,60.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516603,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,389.09866,[M+H]+,30.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516604,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,389.09866,[M+H]+,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516605,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,389.09866,[M+H]+,60.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516606,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,389.09866,[M+H]+,30.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516607,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(Cl)ccc1,389.09866,[M+H]+,20.0,test,O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1
516608,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl,323.09571,[M+H]+,20.0,test,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl
516609,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl,323.09571,[M+H]+,20.0,test,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl
516610,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl,323.09571,[M+H]+,60.0,test,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl
516611,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl,323.09571,[M+H]+,30.0,test,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl
516612,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl,323.09571,[M+H]+,20.0,test,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl
516613,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl,323.09571,[M+H]+,30.0,test,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl
516614,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl,323.09571,[M+H]+,60.0,test,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl
516615,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl,323.09571,[M+H]+,20.0,test,COc1ncccc1CN(C)C(=O)Cc1c(F)cccc1Cl
516616,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2,323.09571,[M+H]+,20.0,test,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2
516617,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2,323.09571,[M+H]+,20.0,test,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2
516618,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2,323.09571,[M+H]+,30.0,test,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2
516619,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2,323.09571,[M+H]+,60.0,test,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2
516620,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2,323.09571,[M+H]+,20.0,test,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2
516621,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2,323.09571,[M+H]+,45.0,test,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2
516622,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2,323.09571,[M+H]+,60.0,test,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2
516623,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2,323.09571,[M+H]+,20.0,test,COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2
516624,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12,346.08877,[M+H]+,20.0,test,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12
516625,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12,346.08877,[M+H]+,20.0,test,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12
516626,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12,346.08877,[M+H]+,45.0,test,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12
516627,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12,346.08877,[M+H]+,60.0,test,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12
516628,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12,346.08877,[M+H]+,20.0,test,Cc1cccc2sc(N3CCN(c4ncc(Cl)cn4)CC3)nc12
516629,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1,338.06122,[M+H]+,20.0,test,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1
516630,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1,338.06122,[M+H]+,20.0,test,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1
516631,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1,338.06122,[M+H]+,60.0,test,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1
516632,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1,338.06122,[M+H]+,30.0,test,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1
516633,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1,338.06122,[M+H]+,20.0,test,COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1
516634,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC,338.06122,[M+H]+,20.0,test,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC
516635,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC,338.06122,[M+H]+,20.0,test,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC
516636,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC,338.06122,[M+H]+,60.0,test,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC
516637,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC,338.06122,[M+H]+,30.0,test,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC
516638,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC,338.06122,[M+H]+,20.0,test,CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC
516639,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,336.04667,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516640,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,336.04667,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516641,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,336.04667,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516642,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,336.04667,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516643,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,336.04667,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516644,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,336.04667,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516645,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,336.04667,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516646,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,336.04667,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516647,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,372.02334,[M+Cl]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516648,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,372.02334,[M+Cl]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516649,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,372.02334,[M+Cl]-,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516650,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,372.02334,[M+Cl]-,15.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516651,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,372.02334,[M+Cl]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516652,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,382.05214,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516653,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,382.05214,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516654,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,382.05214,[M+FA]-,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516655,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,382.05214,[M+FA]-,15.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516656,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,382.05214,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516657,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,336.04667,[M-H]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516658,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,336.04667,[M-H]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516659,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,336.04667,[M-H]-,60.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516660,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,336.04667,[M-H]-,15.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516661,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,336.04667,[M-H]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516662,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,372.02334,[M+Cl]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516663,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,372.02334,[M+Cl]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516664,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,372.02334,[M+Cl]-,60.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516665,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,372.02334,[M+Cl]-,15.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516666,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,372.02334,[M+Cl]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516667,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,382.05214,[M+FA]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516668,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,382.05214,[M+FA]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516669,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,382.05214,[M+FA]-,60.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516670,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,382.05214,[M+FA]-,15.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516671,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,382.05214,[M+FA]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516672,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,382.05214,[M+FA]-,15.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516673,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,382.05214,[M+FA]-,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516674,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,382.05214,[M+FA]-,60.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516675,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl,338.06122,[M+H]+,20.0,test,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl
516676,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl,338.06122,[M+H]+,20.0,test,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl
516677,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl,338.06122,[M+H]+,60.0,test,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl
516678,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl,338.06122,[M+H]+,15.0,test,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl
516679,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl,338.06122,[M+H]+,20.0,test,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl
516680,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl,338.06122,[M+H]+,60.0,test,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl
516681,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl,338.06122,[M+H]+,20.0,test,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl
516682,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl,338.06122,[M+H]+,15.0,test,CCOC(=O)C1CCCN1C(=O)c1sc2ccccc2c1Cl
516683,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,338.06122,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516684,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,338.06122,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516685,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,338.06122,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516686,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,338.06122,[M+H]+,15.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516687,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1,338.06122,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
516688,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,338.06122,[M+H]+,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516689,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,338.06122,[M+H]+,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516690,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,338.06122,[M+H]+,60.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516691,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,338.06122,[M+H]+,15.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516692,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1,338.06122,[M+H]+,20.0,test,CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
516693,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1,338.06122,[M+H]+,20.0,test,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1
516694,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1,338.06122,[M+H]+,20.0,test,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1
516695,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1,338.06122,[M+H]+,30.0,test,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1
516696,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1,338.06122,[M+H]+,15.0,test,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1
516697,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1,338.06122,[M+H]+,60.0,test,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1
516698,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1,338.06122,[M+H]+,20.0,test,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1
516699,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1,338.06122,[M+H]+,20.0,test,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1
516700,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1,338.06122,[M+H]+,60.0,test,O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cccs1
516701,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,401.04468,[M-H]-,20.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516702,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,401.04468,[M-H]-,20.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516703,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,401.04468,[M-H]-,60.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516704,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,401.04468,[M-H]-,15.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516705,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,401.04468,[M-H]-,20.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516706,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,437.02136,[M+Cl]-,20.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516707,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,437.02136,[M+Cl]-,20.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516708,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,437.02136,[M+Cl]-,60.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516709,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,437.02136,[M+Cl]-,15.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516710,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,437.02136,[M+Cl]-,20.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516711,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,403.05923,[M+H]+,30.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516712,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,403.05923,[M+H]+,30.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516713,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,403.05923,[M+H]+,20.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516714,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,403.05923,[M+H]+,60.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516715,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,403.05923,[M+H]+,30.0,test,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F
516716,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,319.13649,[M+H]+,20.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516717,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,319.13649,[M+H]+,20.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516718,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,319.13649,[M+H]+,60.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516719,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,319.13649,[M+H]+,30.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516720,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,319.13649,[M+H]+,20.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516721,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,319.13649,[M+H]+,60.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516722,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,319.13649,[M+H]+,30.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516723,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,319.13649,[M+H]+,20.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516724,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,341.11844,[M+Na]+,30.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516725,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,341.11844,[M+Na]+,30.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516726,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,341.11844,[M+Na]+,60.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516727,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,341.11844,[M+Na]+,20.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516728,O=C(NC1(C(F)F)CC1)c1nn(-c2ccccc2)c(C2CC2)n1,341.11844,[M+Na]+,30.0,test,O=C(NC1(C(F)F)CC1)c1nc(C2CC2)n(-c2ccccc2)n1
516729,Cc1cc(-c2nc(-c3cc(F)c(F)cc3)no2)nn1C(C)(C)C,319.13649,[M+H]+,20.0,test,Cc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)nn1C(C)(C)C
516730,Cc1cc(-c2nc(-c3cc(F)c(F)cc3)no2)nn1C(C)(C)C,319.13649,[M+H]+,20.0,test,Cc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)nn1C(C)(C)C
516731,Cc1cc(-c2nc(-c3cc(F)c(F)cc3)no2)nn1C(C)(C)C,319.13649,[M+H]+,60.0,test,Cc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)nn1C(C)(C)C
516732,Cc1cc(-c2nc(-c3cc(F)c(F)cc3)no2)nn1C(C)(C)C,319.13649,[M+H]+,15.0,test,Cc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)nn1C(C)(C)C
516733,Cc1cc(-c2nc(-c3cc(F)c(F)cc3)no2)nn1C(C)(C)C,319.13649,[M+H]+,20.0,test,Cc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)nn1C(C)(C)C
516734,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,322.11727,[M-H]-,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516735,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,322.11727,[M-H]-,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516736,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,322.11727,[M-H]-,60.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516737,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,322.11727,[M-H]-,30.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516738,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,322.11727,[M-H]-,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516739,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,368.12275,[M+FA]-,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516740,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,368.12275,[M+FA]-,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516741,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,324.13182,[M+H]+,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516742,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,324.13182,[M+H]+,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516743,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,324.13182,[M+H]+,60.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516744,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,324.13182,[M+H]+,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516745,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,324.13182,[M+H]+,75.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516746,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,324.13182,[M+H]+,60.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516747,O=C(CC(F)(F)F)Nc1cccc(-c2cn3CCCCc3n2)c1,324.13182,[M+H]+,20.0,test,O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1
516748,Cc1nccc(N2CCC(Oc3ncc(C(F)(F)F)cc3)C2)c1,324.13182,[M+H]+,20.0,test,Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ccn1
516749,Cc1nccc(N2CCC(Oc3ncc(C(F)(F)F)cc3)C2)c1,324.13182,[M+H]+,20.0,test,Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ccn1
516750,Cc1nccc(N2CCC(Oc3ncc(C(F)(F)F)cc3)C2)c1,324.13182,[M+H]+,60.0,test,Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ccn1
516751,Cc1nccc(N2CCC(Oc3ncc(C(F)(F)F)cc3)C2)c1,324.13182,[M+H]+,20.0,test,Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ccn1
516752,Cc1nccc(N2CCC(Oc3ncc(C(F)(F)F)cc3)C2)c1,324.13182,[M+H]+,45.0,test,Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ccn1
516753,Cc1nccc(N2CCC(Oc3ncc(C(F)(F)F)cc3)C2)c1,324.13182,[M+H]+,60.0,test,Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ccn1
516754,Cc1nccc(N2CCC(Oc3ncc(C(F)(F)F)cc3)C2)c1,324.13182,[M+H]+,20.0,test,Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ccn1
516755,Cc1nccc(N2CCC(Oc3ncc(C(F)(F)F)cc3)C2)c1,324.13182,[M+H]+,45.0,test,Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ccn1
516756,O=C(NCc1cc(C(F)(F)F)ccc1)c1nn2CCCCc2c1,324.13182,[M+H]+,20.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516757,O=C(NCc1cc(C(F)(F)F)ccc1)c1nn2CCCCc2c1,324.13182,[M+H]+,20.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516758,O=C(NCc1cc(C(F)(F)F)ccc1)c1nn2CCCCc2c1,324.13182,[M+H]+,60.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516759,O=C(NCc1cc(C(F)(F)F)ccc1)c1nn2CCCCc2c1,324.13182,[M+H]+,30.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516760,O=C(NCc1cc(C(F)(F)F)ccc1)c1nn2CCCCc2c1,324.13182,[M+H]+,20.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516761,O=C(NCc1cc(C(F)(F)F)ccc1)c1nn2CCCCc2c1,324.13182,[M+H]+,60.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516762,O=C(NCc1cc(C(F)(F)F)ccc1)c1nn2CCCCc2c1,324.13182,[M+H]+,30.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516763,O=C(NCc1cc(C(F)(F)F)ccc1)c1nn2CCCCc2c1,324.13182,[M+H]+,20.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516764,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,368.12275,[M+FA]-,20.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516765,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,368.12275,[M+FA]-,20.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516766,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,368.12275,[M+FA]-,60.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516767,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,368.12275,[M+FA]-,15.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516768,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,368.12275,[M+FA]-,20.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516769,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,324.13182,[M+H]+,20.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516770,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,324.13182,[M+H]+,20.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516771,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,324.13182,[M+H]+,75.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516772,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,324.13182,[M+H]+,60.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516773,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,324.13182,[M+H]+,20.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516774,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,324.13182,[M+H]+,60.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516775,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1,324.13182,[M+H]+,20.0,test,NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
516776,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2,324.13182,[M+H]+,20.0,test,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2
516777,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2,324.13182,[M+H]+,20.0,test,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2
516778,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2,324.13182,[M+H]+,30.0,test,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2
516779,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2,324.13182,[M+H]+,60.0,test,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2
516780,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2,324.13182,[M+H]+,20.0,test,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2
516781,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2,324.13182,[M+H]+,45.0,test,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2
516782,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2,324.13182,[M+H]+,60.0,test,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2
516783,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2,324.13182,[M+H]+,20.0,test,O=C(NCc1ccccc1C(F)(F)F)c1cn2c(n1)CCCC2
516784,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,324.13182,[M+H]+,20.0,test,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
516785,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,324.13182,[M+H]+,20.0,test,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
516786,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,324.13182,[M+H]+,60.0,test,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
516787,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,324.13182,[M+H]+,30.0,test,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
516788,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,324.13182,[M+H]+,20.0,test,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
516789,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,324.13182,[M+H]+,30.0,test,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
516790,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,324.13182,[M+H]+,20.0,test,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
516791,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1,324.13182,[M+H]+,60.0,test,Cc1cccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)n1
516792,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2,324.13182,[M+H]+,20.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516793,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2,324.13182,[M+H]+,20.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516794,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2,324.13182,[M+H]+,60.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516795,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2,324.13182,[M+H]+,30.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516796,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2,324.13182,[M+H]+,20.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516797,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2,324.13182,[M+H]+,60.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516798,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2,324.13182,[M+H]+,30.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516799,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2,324.13182,[M+H]+,20.0,test,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCC2
516800,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1,324.13182,[M+H]+,20.0,test,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1
516801,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1,324.13182,[M+H]+,20.0,test,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1
516802,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1,324.13182,[M+H]+,45.0,test,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1
516803,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1,324.13182,[M+H]+,60.0,test,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1
516804,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1,324.13182,[M+H]+,20.0,test,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1
516805,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1,324.13182,[M+H]+,45.0,test,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1
516806,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1,324.13182,[M+H]+,60.0,test,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1
516807,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1,324.13182,[M+H]+,20.0,test,Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1
516808,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1,334.11976,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1
516809,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1,334.11976,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1
516810,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1,334.11976,[M+H]+,45.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1
516811,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1,334.11976,[M+H]+,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1
516812,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1,334.11976,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1
516813,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,267.1139,[M-H]-,20.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516814,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,267.1139,[M-H]-,20.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516815,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,267.1139,[M-H]-,60.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516816,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,267.1139,[M-H]-,30.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516817,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,267.1139,[M-H]-,20.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516818,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,267.1139,[M-H]-,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516819,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,267.1139,[M-H]-,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516820,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,267.1139,[M-H]-,60.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516821,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,267.1139,[M-H]-,30.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516822,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,267.1139,[M-H]-,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516823,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,313.11938,[M+FA]-,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516824,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,313.11938,[M+FA]-,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516825,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,313.11938,[M+FA]-,60.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516826,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,313.11938,[M+FA]-,15.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516827,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,313.11938,[M+FA]-,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516828,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,269.12845,[M+H]+,20.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516829,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,269.12845,[M+H]+,20.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516830,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,269.12845,[M+H]+,60.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516831,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,269.12845,[M+H]+,20.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516832,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,269.12845,[M+H]+,45.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516833,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,269.12845,[M+H]+,60.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516834,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,269.12845,[M+H]+,20.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516835,Cc1ncc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,269.12845,[M+H]+,45.0,test,Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1
516836,O=C(O)c1nc(N2CCC(c3ccccc3)C2)ccc1,269.12845,[M+H]+,20.0,test,O=C(O)c1cccc(N2CCC(c3ccccc3)C2)n1
516837,O=C(O)c1nc(N2CCC(c3ccccc3)C2)ccc1,269.12845,[M+H]+,20.0,test,O=C(O)c1cccc(N2CCC(c3ccccc3)C2)n1
516838,O=C(O)c1nc(N2CCC(c3ccccc3)C2)ccc1,269.12845,[M+H]+,60.0,test,O=C(O)c1cccc(N2CCC(c3ccccc3)C2)n1
516839,O=C(O)c1nc(N2CCC(c3ccccc3)C2)ccc1,269.12845,[M+H]+,30.0,test,O=C(O)c1cccc(N2CCC(c3ccccc3)C2)n1
516840,O=C(O)c1nc(N2CCC(c3ccccc3)C2)ccc1,269.12845,[M+H]+,20.0,test,O=C(O)c1cccc(N2CCC(c3ccccc3)C2)n1
516841,O=C(O)c1nc(N2CCC(c3ccccc3)C2)ccc1,269.12845,[M+H]+,60.0,test,O=C(O)c1cccc(N2CCC(c3ccccc3)C2)n1
516842,O=C(O)c1nc(N2CCC(c3ccccc3)C2)ccc1,269.12845,[M+H]+,30.0,test,O=C(O)c1cccc(N2CCC(c3ccccc3)C2)n1
516843,O=C(O)c1nc(N2CCC(c3ccccc3)C2)ccc1,269.12845,[M+H]+,20.0,test,O=C(O)c1cccc(N2CCC(c3ccccc3)C2)n1
516844,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1,269.12845,[M+H]+,20.0,test,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1
516845,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1,269.12845,[M+H]+,20.0,test,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1
516846,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1,269.12845,[M+H]+,60.0,test,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1
516847,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1,269.12845,[M+H]+,30.0,test,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1
516848,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1,269.12845,[M+H]+,20.0,test,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1
516849,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1,269.12845,[M+H]+,60.0,test,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1
516850,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1,269.12845,[M+H]+,30.0,test,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1
516851,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1,269.12845,[M+H]+,20.0,test,CN(C(=O)c1ccccc1OC1CC1)c1ccccn1
516852,CC(C)Oc1ccccc1-c1cc2c(nc1)NC(=O)C2,269.12845,[M+H]+,20.0,test,CC(C)Oc1ccccc1-c1cnc2c(c1)CC(=O)N2
516853,CC(C)Oc1ccccc1-c1cc2c(nc1)NC(=O)C2,269.12845,[M+H]+,20.0,test,CC(C)Oc1ccccc1-c1cnc2c(c1)CC(=O)N2
516854,CC(C)Oc1ccccc1-c1cc2c(nc1)NC(=O)C2,269.12845,[M+H]+,60.0,test,CC(C)Oc1ccccc1-c1cnc2c(c1)CC(=O)N2
516855,CC(C)Oc1ccccc1-c1cc2c(nc1)NC(=O)C2,269.12845,[M+H]+,20.0,test,CC(C)Oc1ccccc1-c1cnc2c(c1)CC(=O)N2
516856,CC(C)Oc1ccccc1-c1cc2c(nc1)NC(=O)C2,269.12845,[M+H]+,45.0,test,CC(C)Oc1ccccc1-c1cnc2c(c1)CC(=O)N2
516857,CC(C)Oc1ccccc1-c1cc2c(nc1)NC(=O)C2,269.12845,[M+H]+,60.0,test,CC(C)Oc1ccccc1-c1cnc2c(c1)CC(=O)N2
516858,CC(C)Oc1ccccc1-c1cc2c(nc1)NC(=O)C2,269.12845,[M+H]+,20.0,test,CC(C)Oc1ccccc1-c1cnc2c(c1)CC(=O)N2
516859,CC(C)Oc1ccccc1-c1cc2c(nc1)NC(=O)C2,269.12845,[M+H]+,45.0,test,CC(C)Oc1ccccc1-c1cnc2c(c1)CC(=O)N2
516860,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,269.12845,[M+H]+,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516861,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,269.12845,[M+H]+,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516862,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,269.12845,[M+H]+,60.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516863,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,269.12845,[M+H]+,15.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516864,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,269.12845,[M+H]+,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516865,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,269.12845,[M+H]+,45.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516866,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,269.12845,[M+H]+,60.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516867,O=C(N[C@@H]1C=C[C@H](CO)C1)c1c2ccncc2ccc1,269.12845,[M+H]+,20.0,test,O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12
516868,CN1CCc2c(C1)sc1nc(=S)[nH]c(Nc3ccccc3)c21,328.08164,[M]+,20.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516869,CN1CCc2c(C1)sc1nc(=S)[nH]c(Nc3ccccc3)c21,328.08164,[M]+,20.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516870,CN1CCc2c(C1)sc1nc(=S)[nH]c(Nc3ccccc3)c21,328.08164,[M]+,60.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516871,CN1CCc2c(C1)sc1nc(=S)[nH]c(Nc3ccccc3)c21,328.08164,[M]+,15.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516872,CN1CCc2c(C1)sc1nc(=S)[nH]c(Nc3ccccc3)c21,328.08164,[M]+,20.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516873,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1,328.08109,[M]+,15.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516874,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1,328.08109,[M]+,15.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516875,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1,328.08109,[M]+,20.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516876,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1,328.08109,[M]+,60.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516877,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1,328.08109,[M]+,15.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516878,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1,328.08109,[M]+,60.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516879,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1,328.08109,[M]+,15.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516880,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1,328.08109,[M]+,20.0,test,CN1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1
516881,c1cn(-c2nccc(-c3noc([C@]45CNC[C@H]4COC5)n3)c2)nc1,325.14075,[M+H]+,20.0,test,c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4COC5)n3)ccn2)c1
516882,c1cn(-c2nccc(-c3noc([C@]45CNC[C@H]4COC5)n3)c2)nc1,325.14075,[M+H]+,20.0,test,c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4COC5)n3)ccn2)c1
516883,c1cn(-c2nccc(-c3noc([C@]45CNC[C@H]4COC5)n3)c2)nc1,325.14075,[M+H]+,60.0,test,c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4COC5)n3)ccn2)c1
516884,c1cn(-c2nccc(-c3noc([C@]45CNC[C@H]4COC5)n3)c2)nc1,325.14075,[M+H]+,20.0,test,c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4COC5)n3)ccn2)c1
516885,c1cn(-c2nccc(-c3noc([C@]45CNC[C@H]4COC5)n3)c2)nc1,325.14075,[M+H]+,45.0,test,c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4COC5)n3)ccn2)c1
516886,c1cn(-c2nccc(-c3noc([C@]45CNC[C@H]4COC5)n3)c2)nc1,325.14075,[M+H]+,60.0,test,c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4COC5)n3)ccn2)c1
516887,c1cn(-c2nccc(-c3noc([C@]45CNC[C@H]4COC5)n3)c2)nc1,325.14075,[M+H]+,20.0,test,c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4COC5)n3)ccn2)c1
516888,c1cn(-c2nccc(-c3noc([C@]45CNC[C@H]4COC5)n3)c2)nc1,325.14075,[M+H]+,45.0,test,c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4COC5)n3)ccn2)c1
516889,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,323.1262,[M-H]-,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516890,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,323.1262,[M-H]-,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516891,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,323.1262,[M-H]-,60.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516892,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,323.1262,[M-H]-,30.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516893,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,323.1262,[M-H]-,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516894,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,323.1262,[M-H]-,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516895,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,323.1262,[M-H]-,30.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516896,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,323.1262,[M-H]-,60.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516897,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,369.13168,[M+FA]-,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516898,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,369.13168,[M+FA]-,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516899,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,369.13168,[M+FA]-,60.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516900,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,369.13168,[M+FA]-,15.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516901,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,369.13168,[M+FA]-,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516902,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,323.1262,[M-H]-,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516903,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,323.1262,[M-H]-,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516904,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,323.1262,[M-H]-,60.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516905,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,323.1262,[M-H]-,30.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516906,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,369.13168,[M+FA]-,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516907,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,369.13168,[M+FA]-,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516908,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,369.13168,[M+FA]-,60.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516909,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,369.13168,[M+FA]-,15.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516910,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,369.13168,[M+FA]-,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516911,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,323.1262,[M-H]-,20.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516912,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,323.1262,[M-H]-,20.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516913,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,323.1262,[M-H]-,60.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516914,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,323.1262,[M-H]-,30.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516915,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,323.1262,[M-H]-,20.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516916,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,323.1262,[M-H]-,20.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516917,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,323.1262,[M-H]-,20.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516918,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,323.1262,[M-H]-,60.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516919,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,323.1262,[M-H]-,30.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516920,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,323.1262,[M-H]-,20.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516921,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,323.1262,[M-H]-,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516922,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,323.1262,[M-H]-,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516923,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,323.1262,[M-H]-,60.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516924,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,323.1262,[M-H]-,15.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516925,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,323.1262,[M-H]-,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516926,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,323.1262,[M-H]-,15.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516927,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,323.1262,[M-H]-,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516928,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,323.1262,[M-H]-,60.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516929,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,359.10287,[M+Cl]-,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516930,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,359.10287,[M+Cl]-,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516931,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,359.10287,[M+Cl]-,60.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516932,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,359.10287,[M+Cl]-,15.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516933,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,359.10287,[M+Cl]-,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516934,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,325.14075,[M+H]+,20.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516935,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,325.14075,[M+H]+,20.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516936,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,325.14075,[M+H]+,60.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516937,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,325.14075,[M+H]+,30.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516938,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,325.14075,[M+H]+,20.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516939,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,325.14075,[M+H]+,30.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516940,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,325.14075,[M+H]+,20.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516941,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1,325.14075,[M+H]+,60.0,test,Cc1noc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)n1
516942,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,325.14075,[M+H]+,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516943,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,325.14075,[M+H]+,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516944,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,325.14075,[M+H]+,60.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516945,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,325.14075,[M+H]+,30.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516946,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,325.14075,[M+H]+,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516947,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,325.14075,[M+H]+,60.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516948,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,325.14075,[M+H]+,30.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516949,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1,325.14075,[M+H]+,20.0,test,Cn1nccc1-c1cncc(CNC(=O)Cn2ncccc2=O)c1
516950,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,325.14075,[M+H]+,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516951,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,325.14075,[M+H]+,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516952,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,325.14075,[M+H]+,60.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516953,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,325.14075,[M+H]+,15.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516954,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1,325.14075,[M+H]+,20.0,test,COc1ncccc1NC(=O)C(Cc1ccccc1)n1cnnn1
516955,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1,325.14075,[M+H]+,20.0,test,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1
516956,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1,325.14075,[M+H]+,20.0,test,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1
516957,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1,325.14075,[M+H]+,60.0,test,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1
516958,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1,325.14075,[M+H]+,30.0,test,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1
516959,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1,325.14075,[M+H]+,20.0,test,COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1
516960,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,325.14075,[M+H]+,20.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516961,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,325.14075,[M+H]+,20.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516962,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,325.14075,[M+H]+,60.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516963,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,325.14075,[M+H]+,30.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516964,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1,325.14075,[M+H]+,20.0,test,COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)[nH]n1
516965,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,325.14075,[M+H]+,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516966,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,325.14075,[M+H]+,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516967,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,325.14075,[M+H]+,45.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516968,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,325.14075,[M+H]+,60.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516969,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,325.14075,[M+H]+,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516970,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,325.14075,[M+H]+,60.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516971,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,325.14075,[M+H]+,45.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516972,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1,325.14075,[M+H]+,20.0,test,Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1
516973,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,339.10335,[M-H]-,20.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516974,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,339.10335,[M-H]-,20.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516975,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,339.10335,[M-H]-,60.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516976,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,339.10335,[M-H]-,30.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516977,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,339.10335,[M-H]-,20.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516978,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,341.11791,[M+H]+,20.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516979,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,341.11791,[M+H]+,20.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516980,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,341.11791,[M+H]+,60.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516981,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,341.11791,[M+H]+,15.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516982,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1,341.11791,[M+H]+,20.0,test,O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1
516983,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,339.10335,[M-H]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516984,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,339.10335,[M-H]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516985,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,339.10335,[M-H]-,60.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516986,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,339.10335,[M-H]-,30.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516987,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,339.10335,[M-H]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516988,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,339.10335,[M-H]-,45.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516989,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,339.10335,[M-H]-,60.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516990,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,339.10335,[M-H]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516991,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,375.08003,[M+Cl]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516992,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,375.08003,[M+Cl]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516993,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,375.08003,[M+Cl]-,60.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516994,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,375.08003,[M+Cl]-,15.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516995,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,385.10883,[M+FA]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516996,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,385.10883,[M+FA]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516997,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,385.10883,[M+FA]-,60.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516998,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,385.10883,[M+FA]-,15.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
516999,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,385.10883,[M+FA]-,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517000,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,339.10335,[M-H]-,20.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517001,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,339.10335,[M-H]-,20.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517002,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,339.10335,[M-H]-,45.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517003,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,339.10335,[M-H]-,60.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517004,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,339.10335,[M-H]-,20.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517005,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,339.10335,[M-H]-,60.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517006,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,339.10335,[M-H]-,45.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517007,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,339.10335,[M-H]-,20.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517008,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,341.11791,[M+H]+,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517009,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,341.11791,[M+H]+,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517010,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,341.11791,[M+H]+,45.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517011,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,341.11791,[M+H]+,60.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517012,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,341.11791,[M+H]+,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517013,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,341.11791,[M+H]+,45.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517014,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,341.11791,[M+H]+,60.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517015,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1,341.11791,[M+H]+,20.0,test,Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1
517016,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1,341.11791,[M+H]+,20.0,test,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1
517017,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1,341.11791,[M+H]+,20.0,test,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1
517018,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1,341.11791,[M+H]+,30.0,test,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1
517019,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1,341.11791,[M+H]+,60.0,test,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1
517020,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1,341.11791,[M+H]+,20.0,test,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1
517021,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1,341.11791,[M+H]+,45.0,test,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1
517022,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1,341.11791,[M+H]+,60.0,test,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1
517023,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1,341.11791,[M+H]+,20.0,test,Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2ncccn2)C1
517024,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,341.11791,[M+H]+,20.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517025,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,341.11791,[M+H]+,20.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517026,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,341.11791,[M+H]+,60.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517027,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,341.11791,[M+H]+,30.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517028,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1,341.11791,[M+H]+,20.0,test,c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)c[nH]c2c1
517029,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21,341.11791,[M+H]+,20.0,test,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21
517030,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21,341.11791,[M+H]+,20.0,test,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21
517031,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21,341.11791,[M+H]+,60.0,test,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21
517032,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21,341.11791,[M+H]+,15.0,test,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21
517033,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21,341.11791,[M+H]+,20.0,test,Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21
517034,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,367.06707,[M-H]-,20.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517035,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,367.06707,[M-H]-,20.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517036,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,367.06707,[M-H]-,60.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517037,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,367.06707,[M-H]-,15.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517038,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,367.06707,[M-H]-,20.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517039,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,386.10817,[M+NH4]+,20.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517040,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,386.10817,[M+NH4]+,20.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517041,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,386.10817,[M+NH4]+,60.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517042,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,386.10817,[M+NH4]+,15.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517043,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,386.10817,[M+NH4]+,20.0,test,COC(=O)C(O)(CC(=O)O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
517044,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1,430.02308,[M+H]+,20.0,test,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1
517045,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1,430.02308,[M+H]+,20.0,test,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1
517046,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1,430.02308,[M+H]+,60.0,test,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1
517047,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1,430.02308,[M+H]+,15.0,test,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1
517048,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1,430.02308,[M+H]+,20.0,test,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(Br)cn2)C1
517049,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl,322.08723,[M+H]+,20.0,test,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl
517050,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl,322.08723,[M+H]+,20.0,test,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl
517051,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl,322.08723,[M+H]+,45.0,test,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl
517052,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl,322.08723,[M+H]+,60.0,test,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl
517053,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl,322.08723,[M+H]+,20.0,test,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl
517054,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl,322.08723,[M+H]+,60.0,test,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl
517055,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl,322.08723,[M+H]+,45.0,test,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl
517056,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl,322.08723,[M+H]+,20.0,test,Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl
517057,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1,390.01505,[M+H]+,20.0,test,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1
517058,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1,390.01505,[M+H]+,20.0,test,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1
517059,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1,390.01505,[M+H]+,60.0,test,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1
517060,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1,390.01505,[M+H]+,15.0,test,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1
517061,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1,390.01505,[M+H]+,20.0,test,O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1
517062,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1,301.12145,[M+H]+,20.0,test,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1
517063,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1,301.12145,[M+H]+,20.0,test,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1
517064,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1,301.12145,[M+H]+,45.0,test,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1
517065,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1,301.12145,[M+H]+,60.0,test,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1
517066,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1,301.12145,[M+H]+,20.0,test,CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1
517067,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1,301.12145,[M+H]+,20.0,test,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
517068,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1,301.12145,[M+H]+,20.0,test,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
517069,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1,301.12145,[M+H]+,45.0,test,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
517070,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1,301.12145,[M+H]+,60.0,test,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
517071,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1,301.12145,[M+H]+,20.0,test,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
517072,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1,301.12145,[M+H]+,60.0,test,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
517073,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1,301.12145,[M+H]+,45.0,test,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
517074,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1,301.12145,[M+H]+,20.0,test,Cc1cc(N(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
517075,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21,301.12145,[M+H]+,20.0,test,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21
517076,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21,301.12145,[M+H]+,20.0,test,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21
517077,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21,301.12145,[M+H]+,45.0,test,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21
517078,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21,301.12145,[M+H]+,60.0,test,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21
517079,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21,301.12145,[M+H]+,20.0,test,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21
517080,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21,301.12145,[M+H]+,60.0,test,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21
517081,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21,301.12145,[M+H]+,45.0,test,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21
517082,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21,301.12145,[M+H]+,20.0,test,Clc1cnccc1N1CCC2CN(c3ccccn3)CC21
517083,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,347.09164,[M-H]-,20.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517084,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,347.09164,[M-H]-,20.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517085,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,347.09164,[M-H]-,60.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517086,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,347.09164,[M-H]-,20.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517087,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,347.09164,[M-H]-,45.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517088,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,347.09164,[M-H]-,60.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517089,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,347.09164,[M-H]-,20.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517090,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,347.09164,[M-H]-,45.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517091,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,347.09164,[M-H]-,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517092,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,347.09164,[M-H]-,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517093,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,347.09164,[M-H]-,60.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517094,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,347.09164,[M-H]-,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517095,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,347.09164,[M-H]-,45.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517096,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,383.06832,[M+Cl]-,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517097,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,383.06832,[M+Cl]-,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517098,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,383.06832,[M+Cl]-,60.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517099,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,383.06832,[M+Cl]-,15.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517100,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,383.06832,[M+Cl]-,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517101,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,347.09164,[M-H]-,20.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517102,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,347.09164,[M-H]-,20.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517103,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,347.09164,[M-H]-,60.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517104,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,347.09164,[M-H]-,30.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517105,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,347.09164,[M-H]-,20.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517106,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,347.09164,[M-H]-,60.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517107,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,347.09164,[M-H]-,30.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517108,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,347.09164,[M-H]-,20.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517109,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,347.09164,[M-H]-,20.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517110,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,347.09164,[M-H]-,20.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517111,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,347.09164,[M-H]-,60.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517112,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,347.09164,[M-H]-,20.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517113,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,347.09164,[M-H]-,45.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517114,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,349.10619,[M+H]+,20.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517115,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,349.10619,[M+H]+,20.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517116,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,349.10619,[M+H]+,60.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517117,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,349.10619,[M+H]+,20.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517118,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl,349.10619,[M+H]+,45.0,test,O=C(NC1CCC(C(=O)O)CC1)c1cnnn1-c1ccccc1Cl
517119,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,349.10619,[M+H]+,20.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517120,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,349.10619,[M+H]+,20.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517121,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,349.10619,[M+H]+,60.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517122,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,349.10619,[M+H]+,15.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517123,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,349.10619,[M+H]+,20.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517124,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,349.10619,[M+H]+,45.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517125,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,349.10619,[M+H]+,60.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517126,COc1ncnc(N2CCN(C(=O)c3c(Cl)ccc(O)c3)CC2)c1,349.10619,[M+H]+,20.0,test,COc1cc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)ncn1
517127,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,349.10619,[M+H]+,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517128,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,349.10619,[M+H]+,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517129,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,349.10619,[M+H]+,60.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517130,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,349.10619,[M+H]+,30.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517131,COCC(=O)N1CCc2c1ccc(NC(=O)Cn1cc(Cl)cn1)c2,349.10619,[M+H]+,20.0,test,COCC(=O)N1CCc2cc(NC(=O)Cn3cc(Cl)cn3)ccc21
517132,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,349.10619,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517133,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,349.10619,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517134,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,349.10619,[M+H]+,60.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517135,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,349.10619,[M+H]+,30.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517136,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,349.10619,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517137,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,349.10619,[M+H]+,60.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517138,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,349.10619,[M+H]+,30.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517139,COc1c(Cl)ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c1,349.10619,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccc1Cl
517140,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,20.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517141,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,20.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517142,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,60.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517143,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,30.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517144,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,20.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517145,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,347.09164,[M-H]-,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517146,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,347.09164,[M-H]-,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517147,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,347.09164,[M-H]-,60.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517148,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,347.09164,[M-H]-,30.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517149,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,347.09164,[M-H]-,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517150,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,393.09712,[M+FA]-,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517151,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,393.09712,[M+FA]-,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517152,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,393.09712,[M+FA]-,60.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517153,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,393.09712,[M+FA]-,15.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517154,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,393.09712,[M+FA]-,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517155,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,349.10619,[M+H]+,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517156,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,349.10619,[M+H]+,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517157,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,349.10619,[M+H]+,60.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517158,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,349.10619,[M+H]+,30.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517159,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,349.10619,[M+H]+,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517160,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,349.10619,[M+H]+,30.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517161,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,349.10619,[M+H]+,20.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517162,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl,349.10619,[M+H]+,60.0,test,Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl
517163,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,20.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517164,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,20.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517165,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,30.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517166,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,60.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517167,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,349.10619,[M+H]+,20.0,test,CC(C)n1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
517168,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,406.0854,[M-H]-,20.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517169,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,406.0854,[M-H]-,20.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517170,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,406.0854,[M-H]-,60.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517171,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,406.0854,[M-H]-,20.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517172,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,406.0854,[M-H]-,45.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517173,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,406.0854,[M-H]-,60.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517174,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,406.0854,[M-H]-,20.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517175,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,406.0854,[M-H]-,45.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517176,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,408.09995,[M+H]+,20.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517177,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,408.09995,[M+H]+,20.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517178,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,408.09995,[M+H]+,60.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517179,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,408.09995,[M+H]+,30.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517180,COC(F)(C(=O)Nc1c(C#N)c(C)c(C(=O)N2CCCCC2)s1)C(F)(F)F,408.09995,[M+H]+,20.0,test,COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
517181,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,319.10996,[M-H]-,20.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517182,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,319.10996,[M-H]-,20.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517183,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,319.10996,[M-H]-,60.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517184,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,319.10996,[M-H]-,20.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517185,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,319.10996,[M-H]-,45.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517186,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,321.12451,[M+H]+,20.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517187,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,321.12451,[M+H]+,20.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517188,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,321.12451,[M+H]+,30.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517189,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,321.12451,[M+H]+,60.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517190,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,321.12451,[M+H]+,15.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517191,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,321.12451,[M+H]+,20.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517192,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,321.12451,[M+H]+,60.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517193,COc1c(F)cc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1,321.12451,[M+H]+,20.0,test,COc1ccc(C(C)NC(=O)c2c[nH]c(=O)cc2OC)cc1F
517194,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,319.10996,[M-H]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517195,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,319.10996,[M-H]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517196,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,319.10996,[M-H]-,30.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517197,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,319.10996,[M-H]-,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517198,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,319.10996,[M-H]-,15.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517199,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,319.10996,[M-H]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517200,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,319.10996,[M-H]-,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517201,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,319.10996,[M-H]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517202,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,321.12451,[M+H]+,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517203,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,321.12451,[M+H]+,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517204,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,321.12451,[M+H]+,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517205,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,321.12451,[M+H]+,30.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517206,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,321.12451,[M+H]+,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517207,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,321.12451,[M+H]+,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517208,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,321.12451,[M+H]+,30.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517209,COC(=O)C1C(c2cc(F)ccc2)c2c(CC1(C)O)[nH][nH]c2=O,321.12451,[M+H]+,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517210,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,319.10996,[M-H]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517211,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,319.10996,[M-H]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517212,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,319.10996,[M-H]-,60.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517213,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,319.10996,[M-H]-,30.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517214,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,319.10996,[M-H]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517215,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,355.08664,[M+Cl]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517216,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,355.08664,[M+Cl]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517217,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,355.08664,[M+Cl]-,60.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517218,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,355.08664,[M+Cl]-,15.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517219,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,355.08664,[M+Cl]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517220,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,365.11544,[M+FA]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517221,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,365.11544,[M+FA]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517222,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,365.11544,[M+FA]-,60.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517223,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,365.11544,[M+FA]-,15.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517224,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,365.11544,[M+FA]-,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517225,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,319.10996,[M-H]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517226,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,319.10996,[M-H]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517227,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,319.10996,[M-H]-,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517228,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,319.10996,[M-H]-,30.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517229,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,319.10996,[M-H]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517230,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,319.10996,[M-H]-,30.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517231,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,319.10996,[M-H]-,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517232,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,319.10996,[M-H]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517233,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,355.08664,[M+Cl]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517234,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,355.08664,[M+Cl]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517235,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,355.08664,[M+Cl]-,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517236,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,355.08664,[M+Cl]-,15.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517237,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,355.08664,[M+Cl]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517238,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,365.11544,[M+FA]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517239,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,365.11544,[M+FA]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517240,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,365.11544,[M+FA]-,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517241,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,365.11544,[M+FA]-,15.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517242,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,365.11544,[M+FA]-,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517243,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,321.12451,[M+H]+,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517244,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,321.12451,[M+H]+,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517245,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,321.12451,[M+H]+,45.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517246,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,321.12451,[M+H]+,60.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517247,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,321.12451,[M+H]+,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517248,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,321.12451,[M+H]+,45.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517249,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,321.12451,[M+H]+,20.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517250,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O,321.12451,[M+H]+,60.0,test,COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
517251,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,321.12451,[M+H]+,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517252,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,321.12451,[M+H]+,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517253,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,321.12451,[M+H]+,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517254,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,321.12451,[M+H]+,30.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517255,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,321.12451,[M+H]+,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517256,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,321.12451,[M+H]+,30.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517257,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,321.12451,[M+H]+,60.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517258,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O,321.12451,[M+H]+,20.0,test,COC(=O)C1C(c2cccc(F)c2)c2c([nH][nH]c2=O)CC1(C)O
517259,Cc1ccc(CNC(=O)c2nn(C)c3c2cc(F)cc3)n1C,301.14592,[M+H]+,30.0,test,Cc1ccc(CNC(=O)c2nn(C)c3ccc(F)cc23)n1C
517260,Cc1ccc(CNC(=O)c2nn(C)c3c2cc(F)cc3)n1C,301.14592,[M+H]+,30.0,test,Cc1ccc(CNC(=O)c2nn(C)c3ccc(F)cc23)n1C
517261,Cc1ccc(CNC(=O)c2nn(C)c3c2cc(F)cc3)n1C,301.14592,[M+H]+,20.0,test,Cc1ccc(CNC(=O)c2nn(C)c3ccc(F)cc23)n1C
517262,Cc1ccc(CNC(=O)c2nn(C)c3c2cc(F)cc3)n1C,301.14592,[M+H]+,60.0,test,Cc1ccc(CNC(=O)c2nn(C)c3ccc(F)cc23)n1C
517263,Cc1ccc(CNC(=O)c2nn(C)c3c2cc(F)cc3)n1C,301.14592,[M+H]+,30.0,test,Cc1ccc(CNC(=O)c2nn(C)c3ccc(F)cc23)n1C
517264,Cc1c(NC(=O)c2nnc(N3CCCC3)cc2)ccc(F)c1,301.14592,[M+H]+,20.0,test,Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nn1
517265,Cc1c(NC(=O)c2nnc(N3CCCC3)cc2)ccc(F)c1,301.14592,[M+H]+,20.0,test,Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nn1
517266,Cc1c(NC(=O)c2nnc(N3CCCC3)cc2)ccc(F)c1,301.14592,[M+H]+,60.0,test,Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nn1
517267,Cc1c(NC(=O)c2nnc(N3CCCC3)cc2)ccc(F)c1,301.14592,[M+H]+,20.0,test,Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nn1
517268,Cc1c(NC(=O)c2nnc(N3CCCC3)cc2)ccc(F)c1,301.14592,[M+H]+,45.0,test,Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nn1
517269,Cc1c(NC(=O)c2nnc(N3CCCC3)cc2)ccc(F)c1,301.14592,[M+H]+,60.0,test,Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nn1
517270,Cc1c(NC(=O)c2nnc(N3CCCC3)cc2)ccc(F)c1,301.14592,[M+H]+,20.0,test,Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nn1
517271,Cc1c(NC(=O)c2nnc(N3CCCC3)cc2)ccc(F)c1,301.14592,[M+H]+,45.0,test,Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nn1
517272,Cc1nn(C(C)c2nc(-c3cc(C)c(F)cc3)no2)c(C)c1,301.14592,[M+H]+,20.0,test,Cc1cc(C)n(C(C)c2nc(-c3ccc(F)c(C)c3)no2)n1
517273,Cc1nn(C(C)c2nc(-c3cc(C)c(F)cc3)no2)c(C)c1,301.14592,[M+H]+,20.0,test,Cc1cc(C)n(C(C)c2nc(-c3ccc(F)c(C)c3)no2)n1
517274,Cc1nn(C(C)c2nc(-c3cc(C)c(F)cc3)no2)c(C)c1,301.14592,[M+H]+,60.0,test,Cc1cc(C)n(C(C)c2nc(-c3ccc(F)c(C)c3)no2)n1
517275,Cc1nn(C(C)c2nc(-c3cc(C)c(F)cc3)no2)c(C)c1,301.14592,[M+H]+,30.0,test,Cc1cc(C)n(C(C)c2nc(-c3ccc(F)c(C)c3)no2)n1
517276,Cc1nn(C(C)c2nc(-c3cc(C)c(F)cc3)no2)c(C)c1,301.14592,[M+H]+,20.0,test,Cc1cc(C)n(C(C)c2nc(-c3ccc(F)c(C)c3)no2)n1
517277,Cc1nn(C(C)c2nc(-c3cc(C)c(F)cc3)no2)c(C)c1,301.14592,[M+H]+,60.0,test,Cc1cc(C)n(C(C)c2nc(-c3ccc(F)c(C)c3)no2)n1
517278,Cc1nn(C(C)c2nc(-c3cc(C)c(F)cc3)no2)c(C)c1,301.14592,[M+H]+,30.0,test,Cc1cc(C)n(C(C)c2nc(-c3ccc(F)c(C)c3)no2)n1
517279,Cc1nn(C(C)c2nc(-c3cc(C)c(F)cc3)no2)c(C)c1,301.14592,[M+H]+,20.0,test,Cc1cc(C)n(C(C)c2nc(-c3ccc(F)c(C)c3)no2)n1
517280,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F,301.14592,[M+H]+,20.0,test,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F
517281,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F,301.14592,[M+H]+,20.0,test,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F
517282,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F,301.14592,[M+H]+,45.0,test,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F
517283,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F,301.14592,[M+H]+,60.0,test,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F
517284,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F,301.14592,[M+H]+,20.0,test,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F
517285,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F,301.14592,[M+H]+,60.0,test,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F
517286,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F,301.14592,[M+H]+,45.0,test,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F
517287,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F,301.14592,[M+H]+,20.0,test,Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F
517288,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1,301.14592,[M+H]+,20.0,test,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1
517289,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1,301.14592,[M+H]+,20.0,test,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1
517290,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1,301.14592,[M+H]+,45.0,test,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1
517291,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1,301.14592,[M+H]+,60.0,test,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1
517292,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1,301.14592,[M+H]+,20.0,test,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1
517293,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1,301.14592,[M+H]+,20.0,test,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1
517294,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1,301.14592,[M+H]+,45.0,test,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1
517295,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1,301.14592,[M+H]+,60.0,test,O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1
517296,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F,301.14592,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F
517297,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F,301.14592,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F
517298,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F,301.14592,[M+H]+,45.0,test,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F
517299,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F,301.14592,[M+H]+,60.0,test,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F
517300,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F,301.14592,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F
517301,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F,301.14592,[M+H]+,60.0,test,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F
517302,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F,301.14592,[M+H]+,45.0,test,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F
517303,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F,301.14592,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F
517304,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1,301.14592,[M+H]+,20.0,test,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1
517305,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1,301.14592,[M+H]+,20.0,test,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1
517306,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1,301.14592,[M+H]+,60.0,test,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1
517307,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1,301.14592,[M+H]+,20.0,test,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1
517308,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1,301.14592,[M+H]+,20.0,test,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1
517309,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1,301.14592,[M+H]+,60.0,test,O=C(Nc1ncnc(-c2ccccc2)c1F)C1CCNCC1
517310,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,301.14592,[M+H]+,20.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517311,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,301.14592,[M+H]+,20.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517312,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,301.14592,[M+H]+,60.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517313,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,301.14592,[M+H]+,30.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517314,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,301.14592,[M+H]+,20.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517315,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,301.14592,[M+H]+,30.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517316,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,301.14592,[M+H]+,20.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517317,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,301.14592,[M+H]+,60.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517318,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,318.17246,[M+NH4]+,20.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517319,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,318.17246,[M+NH4]+,20.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517320,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,318.17246,[M+NH4]+,60.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517321,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,318.17246,[M+NH4]+,30.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517322,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12,318.17246,[M+NH4]+,20.0,test,Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
517323,COC(C)c1noc(COc2c(-c3ccnn3C)cc(F)cc2)n1,333.13574,[M+H]+,20.0,test,COC(C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1
517324,COC(C)c1noc(COc2c(-c3ccnn3C)cc(F)cc2)n1,333.13574,[M+H]+,20.0,test,COC(C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1
517325,COC(C)c1noc(COc2c(-c3ccnn3C)cc(F)cc2)n1,333.13574,[M+H]+,60.0,test,COC(C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1
517326,COC(C)c1noc(COc2c(-c3ccnn3C)cc(F)cc2)n1,333.13574,[M+H]+,30.0,test,COC(C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1
517327,COC(C)c1noc(COc2c(-c3ccnn3C)cc(F)cc2)n1,333.13574,[M+H]+,20.0,test,COC(C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1
517328,COC(C)c1noc(COc2c(-c3ccnn3C)cc(F)cc2)n1,333.13574,[M+H]+,60.0,test,COC(C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1
517329,COC(C)c1noc(COc2c(-c3ccnn3C)cc(F)cc2)n1,333.13574,[M+H]+,30.0,test,COC(C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1
517330,COC(C)c1noc(COc2c(-c3ccnn3C)cc(F)cc2)n1,333.13574,[M+H]+,20.0,test,COC(C)c1noc(COc2ccc(F)cc2-c2ccnn2C)n1
517331,Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cnc1,266.12989,[M-H]-,20.0,test,Cc1cncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1
517332,Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cnc1,266.12989,[M-H]-,20.0,test,Cc1cncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1
517333,O=C(c1cnncc1)N1CCC(Cc2ccccc2)C1,268.14444,[M+H]+,20.0,test,O=C(c1ccnnc1)N1CCC(Cc2ccccc2)C1
517334,O=C(c1cnncc1)N1CCC(Cc2ccccc2)C1,268.14444,[M+H]+,20.0,test,O=C(c1ccnnc1)N1CCC(Cc2ccccc2)C1
517335,O=C(c1cnncc1)N1CCC(Cc2ccccc2)C1,268.14444,[M+H]+,60.0,test,O=C(c1ccnnc1)N1CCC(Cc2ccccc2)C1
517336,O=C(c1cnncc1)N1CCC(Cc2ccccc2)C1,268.14444,[M+H]+,20.0,test,O=C(c1ccnnc1)N1CCC(Cc2ccccc2)C1
517337,O=C(c1cnncc1)N1CCC(Cc2ccccc2)C1,268.14444,[M+H]+,45.0,test,O=C(c1ccnnc1)N1CCC(Cc2ccccc2)C1
517338,Cc1nc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)ccc1,268.14444,[M+H]+,20.0,test,Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1
517339,Cc1nc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)ccc1,268.14444,[M+H]+,20.0,test,Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1
517340,Cc1nc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)ccc1,268.14444,[M+H]+,60.0,test,Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1
517341,Cc1nc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)ccc1,268.14444,[M+H]+,15.0,test,Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1
517342,Cc1nc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)ccc1,268.14444,[M+H]+,20.0,test,Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1
517343,Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cnc1,268.14444,[M+H]+,20.0,test,Cc1cncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1
517344,Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cnc1,268.14444,[M+H]+,20.0,test,Cc1cncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1
517345,Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cnc1,268.14444,[M+H]+,60.0,test,Cc1cncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1
517346,Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cnc1,268.14444,[M+H]+,15.0,test,Cc1cncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1
517347,Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cnc1,268.14444,[M+H]+,20.0,test,Cc1cncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1
517348,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1,268.14444,[M+H]+,20.0,test,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1
517349,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1,268.14444,[M+H]+,20.0,test,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1
517350,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1,268.14444,[M+H]+,60.0,test,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1
517351,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1,268.14444,[M+H]+,20.0,test,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1
517352,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1,268.14444,[M+H]+,20.0,test,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1
517353,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1,268.14444,[M+H]+,60.0,test,CC(C)c1cc(-c2cncn2C)c2cccc(O)c2n1
517354,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,314.09687,[M-H]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517355,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,314.09687,[M-H]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517356,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,314.09687,[M-H]-,60.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517357,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,314.09687,[M-H]-,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517358,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,314.09687,[M-H]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517359,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,314.09687,[M-H]-,60.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517360,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,314.09687,[M-H]-,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517361,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,314.09687,[M-H]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517362,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,316.11142,[M+H]+,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517363,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,316.11142,[M+H]+,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517364,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,316.11142,[M+H]+,60.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517365,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,316.11142,[M+H]+,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517366,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1,316.11142,[M+H]+,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)Nc1cccs1
517367,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,314.09687,[M-H]-,20.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517368,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,314.09687,[M-H]-,20.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517369,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,314.09687,[M-H]-,60.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517370,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,314.09687,[M-H]-,30.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517371,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,314.09687,[M-H]-,20.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517372,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,314.09687,[M-H]-,20.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517373,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,314.09687,[M-H]-,20.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517374,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,314.09687,[M-H]-,60.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517375,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,314.09687,[M-H]-,30.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517376,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,314.09687,[M-H]-,20.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517377,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,314.09687,[M-H]-,30.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517378,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,314.09687,[M-H]-,60.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517379,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,314.09687,[M-H]-,20.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517380,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,350.07355,[M+Cl]-,15.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517381,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,350.07355,[M+Cl]-,15.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517382,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,350.07355,[M+Cl]-,60.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517383,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,350.07355,[M+Cl]-,20.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517384,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,350.07355,[M+Cl]-,15.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517385,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,314.09687,[M-H]-,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517386,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,314.09687,[M-H]-,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517387,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,314.09687,[M-H]-,60.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517388,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,314.09687,[M-H]-,30.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517389,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,314.09687,[M-H]-,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517390,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,314.09687,[M-H]-,30.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517391,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,314.09687,[M-H]-,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517392,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,314.09687,[M-H]-,60.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517393,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,350.07355,[M+Cl]-,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517394,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,350.07355,[M+Cl]-,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517395,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,350.07355,[M+Cl]-,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517396,COc1ccc(CCNc2ncnc3sccc23)cc1OC,314.09687,[M-H]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517397,COc1ccc(CCNc2ncnc3sccc23)cc1OC,314.09687,[M-H]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517398,COc1ccc(CCNc2ncnc3sccc23)cc1OC,314.09687,[M-H]-,45.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517399,COc1ccc(CCNc2ncnc3sccc23)cc1OC,314.09687,[M-H]-,60.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517400,COc1ccc(CCNc2ncnc3sccc23)cc1OC,314.09687,[M-H]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517401,COc1ccc(CCNc2ncnc3sccc23)cc1OC,350.07355,[M+Cl]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517402,COc1ccc(CCNc2ncnc3sccc23)cc1OC,350.07355,[M+Cl]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517403,COc1ccc(CCNc2ncnc3sccc23)cc1OC,350.07355,[M+Cl]-,60.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517404,COc1ccc(CCNc2ncnc3sccc23)cc1OC,350.07355,[M+Cl]-,15.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517405,COc1ccc(CCNc2ncnc3sccc23)cc1OC,350.07355,[M+Cl]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517406,COc1ccc(CCNc2ncnc3sccc23)cc1OC,360.10235,[M+FA]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517407,COc1ccc(CCNc2ncnc3sccc23)cc1OC,360.10235,[M+FA]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517408,COc1ccc(CCNc2ncnc3sccc23)cc1OC,360.10235,[M+FA]-,60.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517409,COc1ccc(CCNc2ncnc3sccc23)cc1OC,360.10235,[M+FA]-,15.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517410,COc1ccc(CCNc2ncnc3sccc23)cc1OC,360.10235,[M+FA]-,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517411,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,314.09687,[M-H]-,20.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517412,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,314.09687,[M-H]-,20.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517413,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,314.09687,[M-H]-,45.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517414,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,314.09687,[M-H]-,60.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517415,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,314.09687,[M-H]-,20.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517416,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,314.09687,[M-H]-,45.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517417,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,314.09687,[M-H]-,20.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517418,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,314.09687,[M-H]-,60.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517419,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,314.09687,[M-H]-,20.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517420,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,314.09687,[M-H]-,20.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517421,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,314.09687,[M-H]-,45.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517422,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,314.09687,[M-H]-,60.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517423,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,314.09687,[M-H]-,20.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517424,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,314.09687,[M-H]-,20.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517425,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,314.09687,[M-H]-,45.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517426,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,314.09687,[M-H]-,60.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517427,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,314.09687,[M-H]-,20.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517428,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,314.09687,[M-H]-,20.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517429,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,314.09687,[M-H]-,45.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517430,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,314.09687,[M-H]-,60.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517431,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,314.09687,[M-H]-,20.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517432,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,314.09687,[M-H]-,20.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517433,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,314.09687,[M-H]-,45.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517434,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,314.09687,[M-H]-,60.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517435,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1,316.11142,[M+H]+,20.0,test,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
517436,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1,316.11142,[M+H]+,20.0,test,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
517437,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1,316.11142,[M+H]+,30.0,test,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
517438,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1,316.11142,[M+H]+,60.0,test,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
517439,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1,316.11142,[M+H]+,15.0,test,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
517440,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1,316.11142,[M+H]+,20.0,test,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
517441,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1,316.11142,[M+H]+,60.0,test,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
517442,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1,316.11142,[M+H]+,20.0,test,COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
517443,COc1ccc(CCNc2ncnc3sccc23)cc1OC,316.11142,[M+H]+,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517444,COc1ccc(CCNc2ncnc3sccc23)cc1OC,316.11142,[M+H]+,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517445,COc1ccc(CCNc2ncnc3sccc23)cc1OC,316.11142,[M+H]+,45.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517446,COc1ccc(CCNc2ncnc3sccc23)cc1OC,316.11142,[M+H]+,60.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517447,COc1ccc(CCNc2ncnc3sccc23)cc1OC,316.11142,[M+H]+,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517448,COc1ccc(CCNc2ncnc3sccc23)cc1OC,316.11142,[M+H]+,45.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517449,COc1ccc(CCNc2ncnc3sccc23)cc1OC,316.11142,[M+H]+,60.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517450,COc1ccc(CCNc2ncnc3sccc23)cc1OC,316.11142,[M+H]+,20.0,test,COc1ccc(CCNc2ncnc3sccc23)cc1OC
517451,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,316.11142,[M+H]+,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517452,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,316.11142,[M+H]+,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517453,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,316.11142,[M+H]+,30.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517454,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,316.11142,[M+H]+,60.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517455,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,316.11142,[M+H]+,15.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517456,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,316.11142,[M+H]+,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517457,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,316.11142,[M+H]+,60.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517458,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1,316.11142,[M+H]+,20.0,test,CNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1
517459,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,316.11142,[M+H]+,20.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517460,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,316.11142,[M+H]+,20.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517461,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,316.11142,[M+H]+,15.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517462,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,316.11142,[M+H]+,60.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517463,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,316.11142,[M+H]+,20.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517464,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,316.11142,[M+H]+,20.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517465,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1,316.11142,[M+H]+,60.0,test,Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)c(C)c1
517466,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,316.11142,[M+H]+,20.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517467,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,316.11142,[M+H]+,20.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517468,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,316.11142,[M+H]+,60.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517469,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,316.11142,[M+H]+,30.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517470,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21,316.11142,[M+H]+,20.0,test,Cc1cccc(C)c1NC(=O)CC1CSc2nccc(=O)n21
517471,COc1ccccc1C(CNc1ncnc2ccsc12)OC,316.11142,[M+H]+,20.0,test,COc1ccccc1C(CNc1ncnc2ccsc12)OC
517472,COc1ccccc1C(CNc1ncnc2ccsc12)OC,316.11142,[M+H]+,20.0,test,COc1ccccc1C(CNc1ncnc2ccsc12)OC
517473,COc1ccccc1C(CNc1ncnc2ccsc12)OC,316.11142,[M+H]+,60.0,test,COc1ccccc1C(CNc1ncnc2ccsc12)OC
517474,COc1ccccc1C(CNc1ncnc2ccsc12)OC,316.11142,[M+H]+,30.0,test,COc1ccccc1C(CNc1ncnc2ccsc12)OC
517475,COc1ccccc1C(CNc1ncnc2ccsc12)OC,316.11142,[M+H]+,20.0,test,COc1ccccc1C(CNc1ncnc2ccsc12)OC
517476,COc1ccccc1C(CNc1ncnc2ccsc12)OC,316.11142,[M+H]+,60.0,test,COc1ccccc1C(CNc1ncnc2ccsc12)OC
517477,COc1ccccc1C(CNc1ncnc2ccsc12)OC,316.11142,[M+H]+,30.0,test,COc1ccccc1C(CNc1ncnc2ccsc12)OC
517478,COc1ccccc1C(CNc1ncnc2ccsc12)OC,316.11142,[M+H]+,20.0,test,COc1ccccc1C(CNc1ncnc2ccsc12)OC
517479,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,316.11142,[M+H]+,20.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517480,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,316.11142,[M+H]+,20.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517481,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,316.11142,[M+H]+,60.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517482,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,316.11142,[M+H]+,30.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517483,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,316.11142,[M+H]+,20.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517484,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,316.11142,[M+H]+,30.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517485,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,316.11142,[M+H]+,60.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517486,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1,316.11142,[M+H]+,20.0,test,CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1
517487,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,316.11142,[M+H]+,20.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517488,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,316.11142,[M+H]+,20.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517489,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,316.11142,[M+H]+,60.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517490,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,316.11142,[M+H]+,15.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517491,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1,316.11142,[M+H]+,20.0,test,Cc1cc(C)cc(N2CC(C(=O)Nc3nccs3)CC2=O)c1
517492,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1,316.11142,[M+H]+,20.0,test,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1
517493,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1,316.11142,[M+H]+,20.0,test,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1
517494,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1,316.11142,[M+H]+,45.0,test,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1
517495,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1,316.11142,[M+H]+,60.0,test,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1
517496,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1,316.11142,[M+H]+,20.0,test,O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCOC1
517497,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,316.11142,[M+H]+,20.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517498,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,316.11142,[M+H]+,20.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517499,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,316.11142,[M+H]+,60.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517500,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,316.11142,[M+H]+,20.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517501,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,316.11142,[M+H]+,60.0,test,O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1
517502,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1,316.11142,[M+H]+,20.0,test,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1
517503,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1,316.11142,[M+H]+,20.0,test,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1
517504,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1,316.11142,[M+H]+,60.0,test,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1
517505,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1,316.11142,[M+H]+,30.0,test,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1
517506,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1,316.11142,[M+H]+,20.0,test,Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1
517507,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1,316.11142,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1
517508,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1,316.11142,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1
517509,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1,316.11142,[M+H]+,60.0,test,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1
517510,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1,316.11142,[M+H]+,30.0,test,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1
517511,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1,316.11142,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1
517512,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1,316.11142,[M+H]+,60.0,test,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1
517513,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1,316.11142,[M+H]+,30.0,test,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1
517514,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1,316.11142,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1
517515,CSCc1ccc(C(=O)Nc2c(C)n(Cc3ccncc3)nn2)o1,344.11757,[M+H]+,20.0,test,CSCc1ccc(C(=O)Nc2nnn(Cc3ccncc3)c2C)o1
517516,CSCc1ccc(C(=O)Nc2c(C)n(Cc3ccncc3)nn2)o1,344.11757,[M+H]+,20.0,test,CSCc1ccc(C(=O)Nc2nnn(Cc3ccncc3)c2C)o1
517517,CSCc1ccc(C(=O)Nc2c(C)n(Cc3ccncc3)nn2)o1,344.11757,[M+H]+,60.0,test,CSCc1ccc(C(=O)Nc2nnn(Cc3ccncc3)c2C)o1
517518,CSCc1ccc(C(=O)Nc2c(C)n(Cc3ccncc3)nn2)o1,344.11757,[M+H]+,30.0,test,CSCc1ccc(C(=O)Nc2nnn(Cc3ccncc3)c2C)o1
517519,CSCc1ccc(C(=O)Nc2c(C)n(Cc3ccncc3)nn2)o1,344.11757,[M+H]+,20.0,test,CSCc1ccc(C(=O)Nc2nnn(Cc3ccncc3)c2C)o1
517520,Cc1c2nc(N3CC(OC(=O)c4cn(C)nn4)C3)sc2c(C)cc1,344.11757,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517521,Cc1c2nc(N3CC(OC(=O)c4cn(C)nn4)C3)sc2c(C)cc1,344.11757,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517522,Cc1c2nc(N3CC(OC(=O)c4cn(C)nn4)C3)sc2c(C)cc1,344.11757,[M+H]+,60.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517523,Cc1c2nc(N3CC(OC(=O)c4cn(C)nn4)C3)sc2c(C)cc1,344.11757,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517524,Cc1c2nc(N3CC(OC(=O)c4cn(C)nn4)C3)sc2c(C)cc1,344.11757,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517525,Cc1c2nc(N3CC(OC(=O)c4cn(C)nn4)C3)sc2c(C)cc1,344.11757,[M+H]+,60.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517526,Cc1c2nc(N3CC(OC(=O)c4cn(C)nn4)C3)sc2c(C)cc1,344.11757,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517527,Cc1c2nc(N3CC(OC(=O)c4cn(C)nn4)C3)sc2c(C)cc1,344.11757,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517528,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O,344.11757,[M+H]+,20.0,test,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O
517529,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O,344.11757,[M+H]+,20.0,test,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O
517530,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O,344.11757,[M+H]+,60.0,test,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O
517531,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O,344.11757,[M+H]+,15.0,test,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O
517532,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O,344.11757,[M+H]+,20.0,test,Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O
517533,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1,344.11757,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
517534,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1,344.11757,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
517535,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1,344.11757,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
517536,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1,344.11757,[M+H]+,30.0,test,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
517537,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1,344.11757,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
517538,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1,344.11757,[M+H]+,30.0,test,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
517539,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1,344.11757,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
517540,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1,344.11757,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
517541,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12,344.11757,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517542,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12,344.11757,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517543,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12,344.11757,[M+H]+,60.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517544,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12,344.11757,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517545,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12,344.11757,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517546,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12,344.11757,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517547,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12,344.11757,[M+H]+,60.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517548,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12,344.11757,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc12
517549,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1,344.09981,[M+H]+,20.0,test,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1
517550,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1,344.09981,[M+H]+,20.0,test,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1
517551,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1,344.09981,[M+H]+,30.0,test,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1
517552,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1,344.09981,[M+H]+,60.0,test,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1
517553,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1,344.09981,[M+H]+,20.0,test,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1
517554,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1,344.09981,[M+H]+,45.0,test,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1
517555,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1,344.09981,[M+H]+,60.0,test,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1
517556,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1,344.09981,[M+H]+,20.0,test,CSc1nnc(CSc2ncccn2)n1CCc1ccccc1
517557,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,20.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517558,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,20.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517559,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,60.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517560,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,15.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517561,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,20.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517562,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,20.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517563,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,20.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517564,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,60.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517565,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,15.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517566,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1,309.09198,[M+H]+,20.0,test,C[C@](N)(c1ccc(Cl)cc1)[C@](C)(N)c1ccc(Cl)cc1
517567,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,375.14989,[M-H]-,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517568,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,375.14989,[M-H]-,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517569,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,375.14989,[M-H]-,15.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517570,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,375.14989,[M-H]-,60.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517571,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,375.14989,[M-H]-,30.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517572,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,375.14989,[M-H]-,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517573,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,375.14989,[M-H]-,60.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517574,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,375.14989,[M-H]-,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517575,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,411.12657,[M+Cl]-,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517576,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,411.12657,[M+Cl]-,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517577,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,411.12657,[M+Cl]-,60.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517578,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,411.12657,[M+Cl]-,15.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517579,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,411.12657,[M+Cl]-,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517580,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,377.16444,[M+H]+,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517581,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,377.16444,[M+H]+,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517582,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,377.16444,[M+H]+,30.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517583,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,377.16444,[M+H]+,60.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517584,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,377.16444,[M+H]+,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517585,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,377.16444,[M+H]+,45.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517586,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,377.16444,[M+H]+,60.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517587,O=C(Nc1cn(Cc2nnc3CCCCn32)nc1)c1ccnn1CC(F)F,377.16444,[M+H]+,20.0,test,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F
517588,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,368.13398,[M-H]-,20.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517589,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,368.13398,[M-H]-,20.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517590,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,368.13398,[M-H]-,60.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517591,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,368.13398,[M-H]-,30.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517592,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,368.13398,[M-H]-,20.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517593,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,368.13398,[M-H]-,60.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517594,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,368.13398,[M-H]-,30.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517595,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,368.13398,[M-H]-,20.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517596,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,370.14853,[M+H]+,20.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517597,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,370.14853,[M+H]+,20.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517598,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,370.14853,[M+H]+,60.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517599,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,370.14853,[M+H]+,30.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517600,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,370.14853,[M+H]+,20.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517601,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,370.14853,[M+H]+,60.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517602,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,370.14853,[M+H]+,30.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517603,C[C@H]1Cc2c([nH]nc2C(=O)N2CCc3c(C2)c(C(F)(F)F)n[nH]3)[C@@H](C)O1,370.14853,[M+H]+,20.0,test,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
517604,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21,314.13624,[M+H]+,20.0,test,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21
517605,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21,314.13624,[M+H]+,20.0,test,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21
517606,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21,314.13624,[M+H]+,60.0,test,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21
517607,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21,314.13624,[M+H]+,30.0,test,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21
517608,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21,314.13624,[M+H]+,20.0,test,O=C(c1ccc(C(F)(F)F)cc1)N1CCOC2CCCCC21
517609,O=C(COc1ccccc1F)N1CCCCCC1c1nocn1,320.1405,[M+H]+,20.0,test,O=C(COc1ccccc1F)N1CCCCCC1c1ncon1
517610,O=C(COc1ccccc1F)N1CCCCCC1c1nocn1,320.1405,[M+H]+,20.0,test,O=C(COc1ccccc1F)N1CCCCCC1c1ncon1
517611,O=C(COc1ccccc1F)N1CCCCCC1c1nocn1,320.1405,[M+H]+,60.0,test,O=C(COc1ccccc1F)N1CCCCCC1c1ncon1
517612,O=C(COc1ccccc1F)N1CCCCCC1c1nocn1,320.1405,[M+H]+,30.0,test,O=C(COc1ccccc1F)N1CCCCCC1c1ncon1
517613,O=C(COc1ccccc1F)N1CCCCCC1c1nocn1,320.1405,[M+H]+,20.0,test,O=C(COc1ccccc1F)N1CCCCCC1c1ncon1
517614,O=C(COc1ccccc1F)N1CCCCCC1c1nocn1,320.1405,[M+H]+,60.0,test,O=C(COc1ccccc1F)N1CCCCCC1c1ncon1
517615,O=C(COc1ccccc1F)N1CCCCCC1c1nocn1,320.1405,[M+H]+,30.0,test,O=C(COc1ccccc1F)N1CCCCCC1c1ncon1
517616,O=C(COc1ccccc1F)N1CCCCCC1c1nocn1,320.1405,[M+H]+,20.0,test,O=C(COc1ccccc1F)N1CCCCCC1c1ncon1
517617,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O,320.1405,[M+H]+,20.0,test,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O
517618,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O,320.1405,[M+H]+,20.0,test,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O
517619,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O,320.1405,[M+H]+,60.0,test,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O
517620,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O,320.1405,[M+H]+,30.0,test,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O
517621,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O,320.1405,[M+H]+,20.0,test,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O
517622,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O,320.1405,[M+H]+,60.0,test,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O
517623,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O,320.1405,[M+H]+,30.0,test,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O
517624,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O,320.1405,[M+H]+,20.0,test,O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)cc1O
517625,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O,320.1405,[M+H]+,30.0,test,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O
517626,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O,320.1405,[M+H]+,30.0,test,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O
517627,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O,320.1405,[M+H]+,20.0,test,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O
517628,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O,320.1405,[M+H]+,60.0,test,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O
517629,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O,320.1405,[M+H]+,30.0,test,CN1CC(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)C1=O
517630,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1,320.1405,[M+H]+,20.0,test,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1
517631,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1,320.1405,[M+H]+,20.0,test,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1
517632,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1,320.1405,[M+H]+,60.0,test,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1
517633,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1,320.1405,[M+H]+,30.0,test,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1
517634,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1,320.1405,[M+H]+,20.0,test,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1
517635,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1,320.1405,[M+H]+,60.0,test,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1
517636,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1,320.1405,[M+H]+,30.0,test,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1
517637,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1,320.1405,[M+H]+,20.0,test,Cc1noc(C2CCN(C(C(=O)O)c3ccccc3F)CC2)n1
517638,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,364.13142,[M+FA]-,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517639,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,364.13142,[M+FA]-,60.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517640,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,364.13142,[M+FA]-,15.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517641,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,364.13142,[M+FA]-,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517642,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517643,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517644,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517645,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517646,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517647,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517648,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517649,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517650,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517651,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517652,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517653,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517654,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517655,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517656,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517657,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,320.1405,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
517658,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,318.12594,[M-H]-,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517659,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,318.12594,[M-H]-,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517660,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,318.12594,[M-H]-,60.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517661,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,318.12594,[M-H]-,30.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517662,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,318.12594,[M-H]-,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517663,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,364.13142,[M+FA]-,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517664,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,364.13142,[M+FA]-,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517665,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,364.13142,[M+FA]-,60.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517666,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,364.13142,[M+FA]-,30.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517667,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,364.13142,[M+FA]-,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517668,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,364.13142,[M+FA]-,60.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517669,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,364.13142,[M+FA]-,30.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517670,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,364.13142,[M+FA]-,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517671,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,318.12594,[M-H]-,20.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517672,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,318.12594,[M-H]-,20.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517673,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,318.12594,[M-H]-,60.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517674,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,364.13142,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517675,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,364.13142,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517676,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,364.13142,[M+FA]-,60.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517677,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,364.13142,[M+FA]-,15.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517678,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,364.13142,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517679,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,318.12594,[M-H]-,20.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517680,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,318.12594,[M-H]-,20.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517681,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,318.12594,[M-H]-,60.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517682,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,318.12594,[M-H]-,30.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517683,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,318.12594,[M-H]-,20.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517684,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,318.12594,[M-H]-,20.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517685,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,318.12594,[M-H]-,20.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517686,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,318.12594,[M-H]-,60.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517687,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,318.12594,[M-H]-,20.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517688,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,318.12594,[M-H]-,60.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517689,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,318.12594,[M-H]-,20.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517690,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,318.12594,[M-H]-,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517691,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,318.12594,[M-H]-,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517692,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,318.12594,[M-H]-,45.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517693,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,318.12594,[M-H]-,60.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517694,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,318.12594,[M-H]-,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517695,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,318.12594,[M-H]-,45.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517696,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,318.12594,[M-H]-,60.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517697,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,318.12594,[M-H]-,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517698,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,320.1405,[M+H]+,20.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517699,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,320.1405,[M+H]+,20.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517700,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,320.1405,[M+H]+,60.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517701,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,320.1405,[M+H]+,30.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517702,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1,320.1405,[M+H]+,20.0,test,O=C(NCC(=O)N1CCC1)C1CC(=O)N(c2ccc(F)cc2)C1
517703,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,320.1405,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517704,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,320.1405,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517705,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,320.1405,[M+H]+,60.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517706,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,320.1405,[M+H]+,30.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517707,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,320.1405,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517708,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,320.1405,[M+H]+,60.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517709,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,320.1405,[M+H]+,30.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517710,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O,320.1405,[M+H]+,20.0,test,O=C(NCCN1CCOCC1)c1c[nH]c2c(F)cccc2c1=O
517711,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,302.12994,[M+H-H2O]+,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517712,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,302.12994,[M+H-H2O]+,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517713,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,302.12994,[M+H-H2O]+,60.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517714,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,302.12994,[M+H-H2O]+,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517715,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,302.12994,[M+H-H2O]+,60.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517716,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,320.1405,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517717,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,320.1405,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517718,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,320.1405,[M+H]+,15.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517719,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,320.1405,[M+H]+,60.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517720,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,320.1405,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517721,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,320.1405,[M+H]+,45.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517722,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,320.1405,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517723,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F,320.1405,[M+H]+,60.0,test,Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F
517724,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,320.1405,[M+H]+,20.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517725,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,320.1405,[M+H]+,20.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517726,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,320.1405,[M+H]+,60.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517727,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,320.1405,[M+H]+,30.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517728,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,320.1405,[M+H]+,20.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517729,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,320.1405,[M+H]+,60.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517730,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,320.1405,[M+H]+,30.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517731,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,320.1405,[M+H]+,20.0,test,NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
517732,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1,320.1405,[M+H]+,20.0,test,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1
517733,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1,320.1405,[M+H]+,20.0,test,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1
517734,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1,320.1405,[M+H]+,15.0,test,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1
517735,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1,320.1405,[M+H]+,60.0,test,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1
517736,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1,320.1405,[M+H]+,30.0,test,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1
517737,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1,320.1405,[M+H]+,20.0,test,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1
517738,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1,320.1405,[M+H]+,20.0,test,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1
517739,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1,320.1405,[M+H]+,60.0,test,Cc1ccc(=O)n(C(C)C(=O)NCCOc2ccc(F)cc2)n1
517740,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F,320.1405,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F
517741,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F,320.1405,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F
517742,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F,320.1405,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F
517743,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F,320.1405,[M+H]+,30.0,test,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F
517744,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F,320.1405,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F
517745,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,320.1405,[M+H]+,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517746,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,320.1405,[M+H]+,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517747,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,320.1405,[M+H]+,60.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517748,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,320.1405,[M+H]+,30.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517749,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,320.1405,[M+H]+,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517750,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,320.1405,[M+H]+,30.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517751,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,320.1405,[M+H]+,20.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517752,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1,320.1405,[M+H]+,60.0,test,O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
517753,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,301.11938,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517754,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,301.11938,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517755,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,301.11938,[M-H]-,60.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517756,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,301.11938,[M-H]-,30.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517757,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,301.11938,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517758,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,301.11938,[M-H]-,60.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517759,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,301.11938,[M-H]-,30.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517760,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,301.11938,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517761,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,301.11938,[M-H]-,20.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517762,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,301.11938,[M-H]-,20.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517763,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,301.11938,[M-H]-,60.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517764,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,301.11938,[M-H]-,15.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517765,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,301.11938,[M-H]-,20.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517766,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,301.11938,[M-H]-,20.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517767,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,301.11938,[M-H]-,20.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517768,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,301.11938,[M-H]-,60.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517769,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,301.11938,[M-H]-,30.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517770,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,301.11938,[M-H]-,20.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517771,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,301.11938,[M-H]-,60.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517772,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,301.11938,[M-H]-,30.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517773,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,301.11938,[M-H]-,20.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517774,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,303.13393,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517775,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,303.13393,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517776,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,303.13393,[M+H]+,60.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517777,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,303.13393,[M+H]+,15.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517778,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1,303.13393,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccc(NC(=O)CC2C=CCC2)cc1
517779,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,303.13393,[M+H]+,20.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517780,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,303.13393,[M+H]+,20.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517781,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,303.13393,[M+H]+,60.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517782,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,303.13393,[M+H]+,15.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517783,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O,303.13393,[M+H]+,20.0,test,Cc1noc(C)c1CN1CCOc2ccccc2C1C(=O)O
517784,Cc1c(C)oc(CN2CCOc3ccccc3C2C(=O)O)n1,303.13393,[M+H]+,20.0,test,Cc1nc(CN2CCOc3ccccc3C2C(=O)O)oc1C
517785,Cc1c(C)oc(CN2CCOc3ccccc3C2C(=O)O)n1,303.13393,[M+H]+,20.0,test,Cc1nc(CN2CCOc3ccccc3C2C(=O)O)oc1C
517786,Cc1c(C)oc(CN2CCOc3ccccc3C2C(=O)O)n1,303.13393,[M+H]+,60.0,test,Cc1nc(CN2CCOc3ccccc3C2C(=O)O)oc1C
517787,Cc1c(C)oc(CN2CCOc3ccccc3C2C(=O)O)n1,303.13393,[M+H]+,30.0,test,Cc1nc(CN2CCOc3ccccc3C2C(=O)O)oc1C
517788,Cc1c(C)oc(CN2CCOc3ccccc3C2C(=O)O)n1,303.13393,[M+H]+,20.0,test,Cc1nc(CN2CCOc3ccccc3C2C(=O)O)oc1C
517789,Cc1c(C)oc(CN2CCOc3ccccc3C2C(=O)O)n1,303.13393,[M+H]+,60.0,test,Cc1nc(CN2CCOc3ccccc3C2C(=O)O)oc1C
517790,Cc1c(C)oc(CN2CCOc3ccccc3C2C(=O)O)n1,303.13393,[M+H]+,30.0,test,Cc1nc(CN2CCOc3ccccc3C2C(=O)O)oc1C
517791,Cc1c(C)oc(CN2CCOc3ccccc3C2C(=O)O)n1,303.13393,[M+H]+,20.0,test,Cc1nc(CN2CCOc3ccccc3C2C(=O)O)oc1C
517792,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,303.13393,[M+H]+,20.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517793,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,303.13393,[M+H]+,20.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517794,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,303.13393,[M+H]+,60.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517795,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,303.13393,[M+H]+,30.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517796,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,303.13393,[M+H]+,20.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517797,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,303.13393,[M+H]+,60.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517798,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,303.13393,[M+H]+,30.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517799,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1,303.13393,[M+H]+,20.0,test,O=C1CCCCN1c1cccc(NC(=O)C2(C(=O)O)CC2)c1
517800,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517801,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517802,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,60.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517803,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,30.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517804,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517805,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,60.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517806,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,30.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517807,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517808,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,325.11588,[M+Na]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517809,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,325.11588,[M+Na]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517810,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,325.11588,[M+Na]+,60.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517811,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,325.11588,[M+Na]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517812,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,325.11588,[M+Na]+,45.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517813,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,301.11938,[M-H]-,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517814,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,301.11938,[M-H]-,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517815,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,301.11938,[M-H]-,60.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517816,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,301.11938,[M-H]-,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517817,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,347.12486,[M+FA]-,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517818,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,347.12486,[M+FA]-,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517819,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,347.12486,[M+FA]-,60.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517820,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,347.12486,[M+FA]-,15.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517821,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,347.12486,[M+FA]-,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517822,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,301.11938,[M-H]-,20.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517823,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,301.11938,[M-H]-,20.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517824,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,301.11938,[M-H]-,30.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517825,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,301.11938,[M-H]-,20.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517826,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517827,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517828,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,30.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517829,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,60.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517830,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517831,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,45.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517832,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,30.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517833,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,60.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517834,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,303.13393,[M+H]+,20.0,test,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
517835,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1,303.13393,[M+H]+,20.0,test,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1
517836,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1,303.13393,[M+H]+,20.0,test,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1
517837,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1,303.13393,[M+H]+,60.0,test,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1
517838,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1,303.13393,[M+H]+,30.0,test,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1
517839,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1,303.13393,[M+H]+,20.0,test,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1
517840,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1,303.13393,[M+H]+,30.0,test,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1
517841,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1,303.13393,[M+H]+,20.0,test,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1
517842,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1,303.13393,[M+H]+,60.0,test,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1
517843,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC,303.13393,[M+H]+,20.0,test,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
517844,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC,303.13393,[M+H]+,20.0,test,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
517845,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC,303.13393,[M+H]+,60.0,test,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
517846,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC,303.13393,[M+H]+,30.0,test,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
517847,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC,303.13393,[M+H]+,20.0,test,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
517848,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC,303.13393,[M+H]+,45.0,test,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
517849,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC,303.13393,[M+H]+,60.0,test,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
517850,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC,303.13393,[M+H]+,20.0,test,COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
517851,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,303.13393,[M+H]+,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517852,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,303.13393,[M+H]+,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517853,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,303.13393,[M+H]+,30.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517854,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,303.13393,[M+H]+,60.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517855,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,303.13393,[M+H]+,15.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517856,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,303.13393,[M+H]+,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517857,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,303.13393,[M+H]+,60.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517858,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1,303.13393,[M+H]+,20.0,test,Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
517859,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O,303.13393,[M+H]+,20.0,test,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O
517860,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O,303.13393,[M+H]+,20.0,test,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O
517861,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O,303.13393,[M+H]+,60.0,test,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O
517862,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O,303.13393,[M+H]+,15.0,test,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O
517863,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O,303.13393,[M+H]+,20.0,test,CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O
517864,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC,303.13393,[M+H]+,20.0,test,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC
517865,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC,303.13393,[M+H]+,20.0,test,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC
517866,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC,303.13393,[M+H]+,60.0,test,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC
517867,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC,303.13393,[M+H]+,30.0,test,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC
517868,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC,303.13393,[M+H]+,20.0,test,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC
517869,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC,303.13393,[M+H]+,20.0,test,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC
517870,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC,303.13393,[M+H]+,30.0,test,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC
517871,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC,303.13393,[M+H]+,60.0,test,COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OC
517872,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,303.13393,[M+H]+,20.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517873,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,303.13393,[M+H]+,20.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517874,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,303.13393,[M+H]+,45.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517875,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,303.13393,[M+H]+,60.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517876,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,303.13393,[M+H]+,20.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517877,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,303.13393,[M+H]+,60.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517878,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,303.13393,[M+H]+,20.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517879,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C,303.13393,[M+H]+,45.0,test,COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C
517880,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,365.06352,[M-H]-,20.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517881,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,365.06352,[M-H]-,20.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517882,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,365.06352,[M-H]-,60.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517883,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,365.06352,[M-H]-,15.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517884,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,365.06352,[M-H]-,20.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517885,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,365.06352,[M-H]-,20.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517886,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,365.06352,[M-H]-,20.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517887,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,365.06352,[M-H]-,60.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517888,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,365.06352,[M-H]-,15.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517889,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,365.06352,[M-H]-,20.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517890,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,365.06352,[M-H]-,60.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517891,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,365.06352,[M-H]-,15.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517892,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,365.06352,[M-H]-,20.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517893,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,367.07808,[M+H]+,20.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517894,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,367.07808,[M+H]+,20.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517895,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,367.07808,[M+H]+,60.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517896,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,367.07808,[M+H]+,15.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517897,O=C(O)C(c1cscc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,367.07808,[M+H]+,20.0,test,O=C(O)C(c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
517898,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,367.07808,[M+H]+,45.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517899,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,367.07808,[M+H]+,45.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517900,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,367.07808,[M+H]+,30.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517901,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,367.07808,[M+H]+,20.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517902,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,367.07808,[M+H]+,60.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517903,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,367.07808,[M+H]+,45.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517904,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,367.07808,[M+H]+,20.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517905,O=C(O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccs1,367.07808,[M+H]+,60.0,test,O=C(O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
517906,COc1cc(OC)c(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,367.07808,[M+H]+,20.0,test,COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)c(OC)c1
517907,COc1cc(OC)c(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,367.07808,[M+H]+,20.0,test,COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)c(OC)c1
517908,COc1cc(OC)c(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,367.07808,[M+H]+,60.0,test,COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)c(OC)c1
517909,COc1cc(OC)c(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,367.07808,[M+H]+,30.0,test,COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)c(OC)c1
517910,COc1cc(OC)c(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,367.07808,[M+H]+,20.0,test,COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)c(OC)c1
517911,COc1cc(OC)c(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,367.07808,[M+H]+,60.0,test,COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)c(OC)c1
517912,COc1cc(OC)c(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,367.07808,[M+H]+,30.0,test,COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)c(OC)c1
517913,COc1cc(OC)c(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,367.07808,[M+H]+,20.0,test,COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)c(OC)c1
517914,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,317.1143,[M-H]-,20.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517915,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,317.1143,[M-H]-,20.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517916,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,317.1143,[M-H]-,60.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517917,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,317.1143,[M-H]-,30.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517918,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,317.1143,[M-H]-,20.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517919,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,317.1143,[M-H]-,60.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517920,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,317.1143,[M-H]-,30.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517921,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,317.1143,[M-H]-,20.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517922,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,319.12885,[M+H]+,20.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517923,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,319.12885,[M+H]+,20.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517924,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,319.12885,[M+H]+,60.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517925,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,319.12885,[M+H]+,30.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517926,O=C(O)CCN(C(=O)c1c2ccoc2ccn1)C1CCOCC1,319.12885,[M+H]+,20.0,test,O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
517927,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,317.1143,[M-H]-,20.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517928,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,317.1143,[M-H]-,20.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517929,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,317.1143,[M-H]-,60.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517930,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,317.1143,[M-H]-,30.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517931,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,317.1143,[M-H]-,20.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517932,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,319.12885,[M+H]+,20.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517933,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,319.12885,[M+H]+,20.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517934,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,319.12885,[M+H]+,60.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517935,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,319.12885,[M+H]+,15.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517936,COc1noc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,319.12885,[M+H]+,20.0,test,COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1
517937,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,317.1143,[M-H]-,20.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517938,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,317.1143,[M-H]-,20.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517939,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,317.1143,[M-H]-,60.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517940,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,317.1143,[M-H]-,30.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517941,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,317.1143,[M-H]-,20.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517942,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,317.1143,[M-H]-,20.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517943,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,317.1143,[M-H]-,60.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517944,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,317.1143,[M-H]-,30.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517945,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,317.1143,[M-H]-,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517946,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,317.1143,[M-H]-,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517947,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,317.1143,[M-H]-,60.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517948,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,317.1143,[M-H]-,30.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517949,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,317.1143,[M-H]-,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517950,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,317.1143,[M-H]-,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517951,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,317.1143,[M-H]-,30.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517952,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,317.1143,[M-H]-,60.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517953,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,353.09097,[M+Cl]-,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517954,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,353.09097,[M+Cl]-,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517955,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,353.09097,[M+Cl]-,60.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517956,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,353.09097,[M+Cl]-,30.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517957,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,353.09097,[M+Cl]-,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517958,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,317.1143,[M-H]-,20.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517959,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,317.1143,[M-H]-,20.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517960,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,317.1143,[M-H]-,60.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517961,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,317.1143,[M-H]-,30.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517962,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,317.1143,[M-H]-,20.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517963,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,317.1143,[M-H]-,30.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517964,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,317.1143,[M-H]-,20.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517965,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,317.1143,[M-H]-,60.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517966,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,319.12885,[M+H]+,15.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517967,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,319.12885,[M+H]+,15.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517968,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,319.12885,[M+H]+,20.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517969,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,319.12885,[M+H]+,60.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517970,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC,319.12885,[M+H]+,15.0,test,COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC
517971,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,319.12885,[M+H]+,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517972,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,319.12885,[M+H]+,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517973,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,319.12885,[M+H]+,60.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517974,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,319.12885,[M+H]+,15.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517975,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC,319.12885,[M+H]+,20.0,test,COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC
517976,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,319.12885,[M+H]+,20.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517977,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,319.12885,[M+H]+,20.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517978,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,319.12885,[M+H]+,45.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517979,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,319.12885,[M+H]+,60.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517980,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,319.12885,[M+H]+,20.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517981,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,319.12885,[M+H]+,60.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517982,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,319.12885,[M+H]+,45.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517983,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,319.12885,[M+H]+,20.0,test,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
517984,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517985,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517986,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,60.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517987,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,15.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517988,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517989,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517990,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517991,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,60.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517992,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517993,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,45.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517994,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,60.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517995,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517996,O=C(CSc1nnc(-c2ccncc2)cc1)N1CCCCC1,315.12741,[M+H]+,45.0,test,O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1
517997,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,313.11286,[M-H]-,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
517998,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,313.11286,[M-H]-,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
517999,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,313.11286,[M-H]-,60.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518000,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,313.11286,[M-H]-,30.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518001,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,313.11286,[M-H]-,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518002,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518003,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518004,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,60.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518005,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518006,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,45.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518007,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,60.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518008,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518009,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,45.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518010,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518011,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518012,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,60.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518013,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,30.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518014,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518015,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,60.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518016,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,30.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518017,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518018,COc1ccccc1-c1nnc2SC(C(C)(C)C)=CC=Nn21,315.12741,[M+H]+,20.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518019,COc1ccccc1-c1nnc2SC(C(C)(C)C)=CC=Nn21,315.12741,[M+H]+,20.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518020,COc1ccccc1-c1nnc2SC(C(C)(C)C)=CC=Nn21,315.12741,[M+H]+,60.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518021,COc1ccccc1-c1nnc2SC(C(C)(C)C)=CC=Nn21,315.12741,[M+H]+,20.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518022,COc1ccccc1-c1nnc2SC(C(C)(C)C)=CC=Nn21,315.12741,[M+H]+,45.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518023,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1,315.12741,[M+H]+,20.0,test,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1
518024,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1,315.12741,[M+H]+,20.0,test,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1
518025,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1,315.12741,[M+H]+,60.0,test,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1
518026,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1,315.12741,[M+H]+,30.0,test,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1
518027,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1,315.12741,[M+H]+,20.0,test,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1
518028,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1,315.12741,[M+H]+,60.0,test,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1
518029,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1,315.12741,[M+H]+,30.0,test,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1
518030,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1,315.12741,[M+H]+,20.0,test,c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1
518031,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,315.12741,[M+H]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518032,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,315.12741,[M+H]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518033,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,315.12741,[M+H]+,60.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518034,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,315.12741,[M+H]+,30.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518035,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,315.12741,[M+H]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518036,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,315.12741,[M+H]+,60.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518037,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,315.12741,[M+H]+,30.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518038,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,315.12741,[M+H]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518039,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,332.15395,[M+NH4]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518040,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,332.15395,[M+NH4]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518041,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,332.15395,[M+NH4]+,60.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518042,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,332.15395,[M+NH4]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518043,CC(C)CNc1nc(C(=O)Nc2c3cc[nH]c3ccc2)cs1,332.15395,[M+NH4]+,60.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518044,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,313.11286,[M-H]-,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518045,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,313.11286,[M-H]-,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518046,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,313.11286,[M-H]-,60.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518047,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,313.11286,[M-H]-,30.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518048,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,313.11286,[M-H]-,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518049,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,313.11286,[M-H]-,30.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518050,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,313.11286,[M-H]-,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518051,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,313.11286,[M-H]-,60.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518052,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,359.11833,[M+FA]-,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518053,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,359.11833,[M+FA]-,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518054,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,359.11833,[M+FA]-,60.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518055,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,359.11833,[M+FA]-,15.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518056,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,359.11833,[M+FA]-,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518057,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518058,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518059,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,313.11286,[M-H]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518060,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,313.11286,[M-H]-,15.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518061,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518062,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518063,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,313.11286,[M-H]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518064,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,349.08953,[M+Cl]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518065,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,349.08953,[M+Cl]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518066,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,349.08953,[M+Cl]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518067,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,349.08953,[M+Cl]-,15.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518068,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,349.08953,[M+Cl]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518069,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,349.08953,[M+Cl]-,15.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518070,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,349.08953,[M+Cl]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518071,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,349.08953,[M+Cl]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518072,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,359.11833,[M+FA]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518073,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,359.11833,[M+FA]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518074,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,359.11833,[M+FA]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518075,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,359.11833,[M+FA]-,15.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518076,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,359.11833,[M+FA]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518077,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518078,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518079,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,45.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518080,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,60.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518081,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518082,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,45.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518083,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518084,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,313.11286,[M-H]-,60.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518085,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518086,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518087,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,313.11286,[M-H]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518088,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,313.11286,[M-H]-,30.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518089,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518090,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,359.11833,[M+FA]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518091,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,359.11833,[M+FA]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518092,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,359.11833,[M+FA]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518093,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,359.11833,[M+FA]-,15.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518094,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,359.11833,[M+FA]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518095,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,359.11833,[M+FA]-,15.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518096,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,359.11833,[M+FA]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518097,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,359.11833,[M+FA]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518098,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518099,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518100,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,313.11286,[M-H]-,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518101,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,313.11286,[M-H]-,30.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518102,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,313.11286,[M-H]-,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518103,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518104,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518105,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,315.12741,[M+H]+,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518106,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,315.12741,[M+H]+,15.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518107,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518108,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518109,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,315.12741,[M+H]+,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518110,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1,315.12741,[M+H]+,15.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1cccn1
518111,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1,315.12741,[M+H]+,20.0,test,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1
518112,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1,315.12741,[M+H]+,20.0,test,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1
518113,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1,315.12741,[M+H]+,60.0,test,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1
518114,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1,315.12741,[M+H]+,30.0,test,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1
518115,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1,315.12741,[M+H]+,20.0,test,CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1
518116,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518117,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518118,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,60.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518119,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,30.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518120,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518121,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,60.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518122,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,30.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518123,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1,315.12741,[M+H]+,20.0,test,CCCc1cc(=O)nc(SCc2nc3ccccc3n2C)[nH]1
518124,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1,315.12741,[M+H]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518125,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1,315.12741,[M+H]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518126,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1,315.12741,[M+H]+,60.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518127,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1,315.12741,[M+H]+,30.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518128,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1,315.12741,[M+H]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518129,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1,315.12741,[M+H]+,30.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518130,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1,315.12741,[M+H]+,20.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518131,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1,315.12741,[M+H]+,60.0,test,CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1
518132,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518133,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518134,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,315.12741,[M+H]+,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518135,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,315.12741,[M+H]+,30.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518136,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518137,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,315.12741,[M+H]+,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518138,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,315.12741,[M+H]+,30.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518139,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCn1ccnc1
518140,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2,315.12741,[M+H]+,20.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518141,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2,315.12741,[M+H]+,20.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518142,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2,315.12741,[M+H]+,45.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518143,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2,315.12741,[M+H]+,60.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518144,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2,315.12741,[M+H]+,20.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518145,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2,315.12741,[M+H]+,20.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518146,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2,315.12741,[M+H]+,60.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518147,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2,315.12741,[M+H]+,45.0,test,COc1ccccc1-c1nnc2n1N=CC=C(C(C)(C)C)S2
518148,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1
518149,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1
518150,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1,315.12741,[M+H]+,60.0,test,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1
518151,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1,315.12741,[M+H]+,15.0,test,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1
518152,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1,315.12741,[M+H]+,20.0,test,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1
518153,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12,315.12741,[M+H]+,20.0,test,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12
518154,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12,315.12741,[M+H]+,20.0,test,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12
518155,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12,315.12741,[M+H]+,60.0,test,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12
518156,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12,315.12741,[M+H]+,30.0,test,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12
518157,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12,315.12741,[M+H]+,20.0,test,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12
518158,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12,315.12741,[M+H]+,30.0,test,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12
518159,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12,315.12741,[M+H]+,20.0,test,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12
518160,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12,315.12741,[M+H]+,60.0,test,c1ccc2c(c1)ccc1nnc(SCCN3CCOCC3)n12
518161,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C,315.12741,[M+H]+,20.0,test,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C
518162,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C,315.12741,[M+H]+,20.0,test,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C
518163,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C,315.12741,[M+H]+,60.0,test,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C
518164,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C,315.12741,[M+H]+,30.0,test,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C
518165,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C,315.12741,[M+H]+,20.0,test,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C
518166,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C,315.12741,[M+H]+,20.0,test,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C
518167,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C,315.12741,[M+H]+,30.0,test,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C
518168,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C,315.12741,[M+H]+,60.0,test,CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C
518169,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1,315.12741,[M+H]+,20.0,test,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1
518170,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1,315.12741,[M+H]+,20.0,test,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1
518171,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1,315.12741,[M+H]+,45.0,test,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1
518172,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1,315.12741,[M+H]+,60.0,test,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1
518173,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1,315.12741,[M+H]+,20.0,test,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1
518174,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1,315.12741,[M+H]+,60.0,test,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1
518175,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1,315.12741,[M+H]+,45.0,test,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1
518176,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1,315.12741,[M+H]+,20.0,test,Cc1nc(C(=O)N2CCC3CN(c4ccccn4)CC32)cs1
518177,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1,315.12741,[M+H]+,45.0,test,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1
518178,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1,315.12741,[M+H]+,45.0,test,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1
518179,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1,315.12741,[M+H]+,30.0,test,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1
518180,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1,315.12741,[M+H]+,20.0,test,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1
518181,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1,315.12741,[M+H]+,60.0,test,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1
518182,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1,315.12741,[M+H]+,45.0,test,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1
518183,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1,315.12741,[M+H]+,60.0,test,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1
518184,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1,315.12741,[M+H]+,20.0,test,O=C1CN(c2nnc(C3CC3)s2)CCN1Cc1ccccc1
518185,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3,315.12741,[M+H]+,20.0,test,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
518186,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3,315.12741,[M+H]+,20.0,test,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
518187,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3,315.12741,[M+H]+,45.0,test,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
518188,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3,315.12741,[M+H]+,60.0,test,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
518189,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3,315.12741,[M+H]+,20.0,test,N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
518190,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1,315.12741,[M+H]+,20.0,test,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1
518191,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1,315.12741,[M+H]+,20.0,test,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1
518192,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1,315.12741,[M+H]+,30.0,test,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1
518193,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1,315.12741,[M+H]+,60.0,test,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1
518194,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1,315.12741,[M+H]+,15.0,test,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1
518195,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1,315.12741,[M+H]+,20.0,test,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1
518196,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1,315.12741,[M+H]+,60.0,test,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1
518197,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1,315.12741,[M+H]+,20.0,test,CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1
518198,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1,315.12741,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1
518199,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1,315.12741,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1
518200,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1,315.12741,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1
518201,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1,315.12741,[M+H]+,15.0,test,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1
518202,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1,315.12741,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1
518203,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1,315.12741,[M+H]+,45.0,test,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1
518204,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1,315.12741,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1
518205,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1,315.12741,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1
518206,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,315.12741,[M+H]+,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518207,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,315.12741,[M+H]+,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518208,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,315.12741,[M+H]+,60.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518209,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,315.12741,[M+H]+,15.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518210,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,315.12741,[M+H]+,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518211,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,315.12741,[M+H]+,20.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518212,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,315.12741,[M+H]+,15.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518213,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1,315.12741,[M+H]+,60.0,test,Cc1n[nH]c(C)c1NC(=O)CC(c1ccsc1)n1cccc1
518214,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518215,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518216,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,315.12741,[M+H]+,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518217,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,315.12741,[M+H]+,30.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518218,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518219,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,315.12741,[M+H]+,60.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518220,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,315.12741,[M+H]+,30.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518221,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1,315.12741,[M+H]+,20.0,test,O=C(CC(c1ccsc1)n1cccc1)NCCc1cnc[nH]1
518222,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1,315.12741,[M+H]+,20.0,test,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1
518223,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1,315.12741,[M+H]+,20.0,test,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1
518224,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1,315.12741,[M+H]+,60.0,test,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1
518225,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1,315.12741,[M+H]+,30.0,test,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1
518226,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1,315.12741,[M+H]+,20.0,test,Cc1ccc(C)c(CSc2n[nH]c3nc(=O)c(C)c(C)n23)c1
518227,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,309.14693,[M-H]-,15.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518228,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,309.14693,[M-H]-,15.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518229,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,309.14693,[M-H]-,20.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518230,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,309.14693,[M-H]-,60.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518231,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,309.14693,[M-H]-,15.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518232,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,355.15241,[M+FA]-,20.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518233,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,355.15241,[M+FA]-,20.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518234,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,355.15241,[M+FA]-,60.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518235,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,355.15241,[M+FA]-,15.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518236,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,355.15241,[M+FA]-,20.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518237,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,309.14693,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518238,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,309.14693,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518239,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,309.14693,[M-H]-,60.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518240,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,309.14693,[M-H]-,30.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518241,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,309.14693,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518242,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,309.14693,[M-H]-,60.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518243,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,309.14693,[M-H]-,30.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518244,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,309.14693,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518245,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,309.14693,[M-H]-,30.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518246,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,309.14693,[M-H]-,30.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518247,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,309.14693,[M-H]-,20.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518248,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,309.14693,[M-H]-,60.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518249,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,309.14693,[M-H]-,30.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518250,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,355.15241,[M+FA]-,20.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518251,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,355.15241,[M+FA]-,20.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518252,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,355.15241,[M+FA]-,60.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518253,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,355.15241,[M+FA]-,15.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518254,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,355.15241,[M+FA]-,20.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518255,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,311.16148,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518256,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,311.16148,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518257,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,311.16148,[M+H]+,60.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518258,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,311.16148,[M+H]+,30.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518259,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,311.16148,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518260,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,311.16148,[M+H]+,60.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518261,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,311.16148,[M+H]+,30.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518262,Cc1ccc(-c2n[nH]c(C(=O)N(C)Cc3n[nH]c(C)n3)c2)cc1,311.16148,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(C)n3)[nH]n2)cc1
518263,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1,311.16148,[M+H]+,20.0,test,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1
518264,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1,311.16148,[M+H]+,20.0,test,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1
518265,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1,311.16148,[M+H]+,60.0,test,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1
518266,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1,311.16148,[M+H]+,20.0,test,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1
518267,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1,311.16148,[M+H]+,45.0,test,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1
518268,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1,311.16148,[M+H]+,60.0,test,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1
518269,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1,311.16148,[M+H]+,20.0,test,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1
518270,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1,311.16148,[M+H]+,45.0,test,CC(=O)N1CCN(c2nn3c(C)nnc3c3ccccc23)CC1
518271,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,311.16148,[M+H]+,20.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518272,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,311.16148,[M+H]+,20.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518273,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,311.16148,[M+H]+,60.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518274,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,311.16148,[M+H]+,20.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518275,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,311.16148,[M+H]+,45.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518276,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,311.16148,[M+H]+,60.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518277,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,311.16148,[M+H]+,20.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518278,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1,311.16148,[M+H]+,45.0,test,CC(NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
518279,Cc1cncnc1N1CCN(c2c3[nH]c(=O)[nH]c3ccc2)CC1,311.16148,[M+H]+,20.0,test,Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
518280,Cc1cncnc1N1CCN(c2c3[nH]c(=O)[nH]c3ccc2)CC1,311.16148,[M+H]+,20.0,test,Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
518281,Cc1cncnc1N1CCN(c2c3[nH]c(=O)[nH]c3ccc2)CC1,311.16148,[M+H]+,60.0,test,Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
518282,Cc1cncnc1N1CCN(c2c3[nH]c(=O)[nH]c3ccc2)CC1,311.16148,[M+H]+,20.0,test,Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
518283,Cc1cncnc1N1CCN(c2c3[nH]c(=O)[nH]c3ccc2)CC1,311.16148,[M+H]+,45.0,test,Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
518284,Cc1cncnc1N1CCN(c2c3[nH]c(=O)[nH]c3ccc2)CC1,311.16148,[M+H]+,60.0,test,Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
518285,Cc1cncnc1N1CCN(c2c3[nH]c(=O)[nH]c3ccc2)CC1,311.16148,[M+H]+,20.0,test,Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
518286,Cc1cncnc1N1CCN(c2c3[nH]c(=O)[nH]c3ccc2)CC1,311.16148,[M+H]+,45.0,test,Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
518287,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,311.16148,[M+H]+,20.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518288,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,311.16148,[M+H]+,20.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518289,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,311.16148,[M+H]+,60.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518290,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,311.16148,[M+H]+,15.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518291,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C,311.16148,[M+H]+,20.0,test,Cc1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1C
518292,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,309.14693,[M-H]-,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518293,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,309.14693,[M-H]-,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518294,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,309.14693,[M-H]-,45.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518295,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,309.14693,[M-H]-,60.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518296,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,309.14693,[M-H]-,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518297,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,309.14693,[M-H]-,45.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518298,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,309.14693,[M-H]-,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518299,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,309.14693,[M-H]-,60.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518300,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,355.15241,[M+FA]-,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518301,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,355.15241,[M+FA]-,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518302,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,355.15241,[M+FA]-,60.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518303,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,309.14693,[M-H]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518304,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,309.14693,[M-H]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518305,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,309.14693,[M-H]-,45.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518306,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,309.14693,[M-H]-,60.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518307,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,309.14693,[M-H]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518308,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,309.14693,[M-H]-,45.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518309,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,309.14693,[M-H]-,60.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518310,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,309.14693,[M-H]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518311,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,345.12361,[M+Cl]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518312,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,345.12361,[M+Cl]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518313,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,345.12361,[M+Cl]-,60.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518314,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,345.12361,[M+Cl]-,15.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518315,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,345.12361,[M+Cl]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518316,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,355.15241,[M+FA]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518317,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,355.15241,[M+FA]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518318,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,355.15241,[M+FA]-,60.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518319,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,355.15241,[M+FA]-,15.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518320,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,355.15241,[M+FA]-,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518321,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1,309.14693,[M-H]-,20.0,test,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1
518322,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1,309.14693,[M-H]-,20.0,test,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1
518323,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1,309.14693,[M-H]-,20.0,test,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1
518324,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,309.14693,[M-H]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518325,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,309.14693,[M-H]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518326,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,309.14693,[M-H]-,45.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518327,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,309.14693,[M-H]-,60.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518328,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,309.14693,[M-H]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518329,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,355.15241,[M+FA]-,15.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518330,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,355.15241,[M+FA]-,20.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518331,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,355.15241,[M+FA]-,60.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518332,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,355.15241,[M+FA]-,15.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518333,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1,311.16148,[M+H]+,20.0,test,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1
518334,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1,311.16148,[M+H]+,20.0,test,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1
518335,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1,311.16148,[M+H]+,60.0,test,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1
518336,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1,311.16148,[M+H]+,30.0,test,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1
518337,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1,311.16148,[M+H]+,20.0,test,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1
518338,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1,311.16148,[M+H]+,30.0,test,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1
518339,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1,311.16148,[M+H]+,20.0,test,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1
518340,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1,311.16148,[M+H]+,60.0,test,c1cc(OCC2CCCN(c3ccc4nncn4n3)C2)ccn1
518341,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,311.16148,[M+H]+,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518342,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,311.16148,[M+H]+,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518343,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,311.16148,[M+H]+,45.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518344,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,311.16148,[M+H]+,60.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518345,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,311.16148,[M+H]+,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518346,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,311.16148,[M+H]+,60.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518347,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,311.16148,[M+H]+,45.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518348,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1,311.16148,[M+H]+,20.0,test,CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1
518349,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1,311.16148,[M+H]+,20.0,test,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1
518350,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1,311.16148,[M+H]+,20.0,test,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1
518351,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1,311.16148,[M+H]+,60.0,test,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1
518352,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1,311.16148,[M+H]+,20.0,test,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1
518353,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1,311.16148,[M+H]+,60.0,test,COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1
518354,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1,311.16148,[M+H]+,30.0,test,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1
518355,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1,311.16148,[M+H]+,30.0,test,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1
518356,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1,311.16148,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1
518357,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1,311.16148,[M+H]+,60.0,test,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1
518358,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1,311.16148,[M+H]+,30.0,test,COc1ccccc1N1CCN(c2ncc(C#N)c(N)n2)CC1
518359,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1,311.16148,[M+H]+,20.0,test,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1
518360,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1,311.16148,[M+H]+,20.0,test,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1
518361,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1,311.16148,[M+H]+,60.0,test,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1
518362,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1,311.16148,[M+H]+,15.0,test,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1
518363,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1,311.16148,[M+H]+,20.0,test,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1
518364,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1,311.16148,[M+H]+,20.0,test,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1
518365,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1,311.16148,[M+H]+,15.0,test,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1
518366,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1,311.16148,[M+H]+,60.0,test,Cn1cc(-c2ccc(CCNC(=O)c3cn(C)nn3)cc2)cn1
518367,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,311.16148,[M+H]+,20.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518368,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,311.16148,[M+H]+,20.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518369,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,311.16148,[M+H]+,60.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518370,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,311.16148,[M+H]+,15.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518371,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1,311.16148,[M+H]+,20.0,test,Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1
518372,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1,311.16148,[M+H]+,20.0,test,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1
518373,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1,311.16148,[M+H]+,20.0,test,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1
518374,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1,311.16148,[M+H]+,60.0,test,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1
518375,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1,311.16148,[M+H]+,30.0,test,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1
518376,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1,311.16148,[M+H]+,20.0,test,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1
518377,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1,311.16148,[M+H]+,20.0,test,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1
518378,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1,311.16148,[M+H]+,30.0,test,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1
518379,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1,311.16148,[M+H]+,60.0,test,Cc1nnc(CN2CC3CN(c4ccc(C#N)cn4)CC3C2)o1
518380,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,20.0,test,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1
518381,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,20.0,test,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1
518382,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,60.0,test,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1
518383,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,15.0,test,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1
518384,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,20.0,test,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1
518385,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,45.0,test,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1
518386,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,60.0,test,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1
518387,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,20.0,test,O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1
518388,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,311.16148,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518389,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,311.16148,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518390,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,311.16148,[M+H]+,45.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518391,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,311.16148,[M+H]+,60.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518392,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1,311.16148,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1
518393,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,311.16148,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518394,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,311.16148,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518395,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,311.16148,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518396,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,311.16148,[M+H]+,30.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518397,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1,311.16148,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)n1
518398,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,20.0,test,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1
518399,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,20.0,test,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1
518400,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,45.0,test,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1
518401,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,60.0,test,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1
518402,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,20.0,test,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1
518403,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,60.0,test,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1
518404,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,45.0,test,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1
518405,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1,311.16148,[M+H]+,20.0,test,O=C(c1cc2c(nn1)CCC2)N1CCN(c2ncccn2)CC1
518406,CCCc1c(SCC(=O)Nc2ccccn2)n2ncnc2nc1C,343.13356,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518407,CCCc1c(SCC(=O)Nc2ccccn2)n2ncnc2nc1C,343.13356,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518408,CCCc1c(SCC(=O)Nc2ccccn2)n2ncnc2nc1C,343.13356,[M+H]+,60.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518409,CCCc1c(SCC(=O)Nc2ccccn2)n2ncnc2nc1C,343.13356,[M+H]+,30.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518410,CCCc1c(SCC(=O)Nc2ccccn2)n2ncnc2nc1C,343.13356,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518411,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,341.119,[M-H]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518412,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,341.119,[M-H]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518413,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,341.119,[M-H]-,60.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518414,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,341.119,[M-H]-,30.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518415,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,341.119,[M-H]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518416,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,341.119,[M-H]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518417,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,341.119,[M-H]-,60.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518418,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,341.119,[M-H]-,30.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518419,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,377.09568,[M+Cl]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518420,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,377.09568,[M+Cl]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518421,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,377.09568,[M+Cl]-,60.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518422,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,377.09568,[M+Cl]-,15.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518423,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,377.09568,[M+Cl]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518424,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,377.09568,[M+Cl]-,15.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518425,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,377.09568,[M+Cl]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518426,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,377.09568,[M+Cl]-,60.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518427,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,387.12448,[M+FA]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518428,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,387.12448,[M+FA]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518429,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,387.12448,[M+FA]-,60.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518430,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,387.12448,[M+FA]-,15.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518431,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,387.12448,[M+FA]-,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518432,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,341.119,[M-H]-,20.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518433,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,341.119,[M-H]-,20.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518434,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,341.119,[M-H]-,60.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518435,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,341.119,[M-H]-,30.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518436,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,341.119,[M-H]-,20.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518437,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,341.119,[M-H]-,30.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518438,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,341.119,[M-H]-,20.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518439,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,341.119,[M-H]-,60.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518440,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,341.119,[M-H]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518441,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,341.119,[M-H]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518442,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,341.119,[M-H]-,60.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518443,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,341.119,[M-H]-,30.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518444,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,341.119,[M-H]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518445,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,341.119,[M-H]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518446,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,341.119,[M-H]-,30.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518447,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,341.119,[M-H]-,60.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518448,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,377.09568,[M+Cl]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518449,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,377.09568,[M+Cl]-,15.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518450,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,377.09568,[M+Cl]-,15.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518451,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,387.12448,[M+FA]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518452,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,387.12448,[M+FA]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518453,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,387.12448,[M+FA]-,60.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518454,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,387.12448,[M+FA]-,15.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518455,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,387.12448,[M+FA]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518456,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,387.12448,[M+FA]-,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518457,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,387.12448,[M+FA]-,15.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518458,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,387.12448,[M+FA]-,60.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518459,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1,343.13356,[M+H]+,20.0,test,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1
518460,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1,343.13356,[M+H]+,20.0,test,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1
518461,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1,343.13356,[M+H]+,60.0,test,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1
518462,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1,343.13356,[M+H]+,30.0,test,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1
518463,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1,343.13356,[M+H]+,20.0,test,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1
518464,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1,343.13356,[M+H]+,30.0,test,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1
518465,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1,343.13356,[M+H]+,60.0,test,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1
518466,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1,343.13356,[M+H]+,20.0,test,Cc1nc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)no1
518467,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,343.13356,[M+H]+,20.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518468,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,343.13356,[M+H]+,20.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518469,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,343.13356,[M+H]+,45.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518470,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,343.13356,[M+H]+,60.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518471,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,343.13356,[M+H]+,20.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518472,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,343.13356,[M+H]+,20.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518473,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,343.13356,[M+H]+,45.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518474,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2,343.13356,[M+H]+,60.0,test,CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2
518475,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,343.13356,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518476,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,343.13356,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518477,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,343.13356,[M+H]+,30.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518478,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,343.13356,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518479,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,343.13356,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518480,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,343.13356,[M+H]+,45.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518481,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,343.13356,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518482,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1,343.13356,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccs3)nn2)n1
518483,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21,343.13356,[M+H]+,20.0,test,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21
518484,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21,343.13356,[M+H]+,20.0,test,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21
518485,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21,343.13356,[M+H]+,60.0,test,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21
518486,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21,343.13356,[M+H]+,30.0,test,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21
518487,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21,343.13356,[M+H]+,20.0,test,CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21
518488,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1,343.13356,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518489,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1,343.13356,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518490,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1,343.13356,[M+H]+,60.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518491,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1,343.13356,[M+H]+,15.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518492,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1,343.13356,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518493,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1,343.13356,[M+H]+,60.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518494,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1,343.13356,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518495,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1,343.13356,[M+H]+,15.0,test,CCCc1c(C)nc2ncnn2c1SCC(=O)Nc1ccccn1
518496,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,343.13356,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518497,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,343.13356,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518498,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,343.13356,[M+H]+,60.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518499,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,343.13356,[M+H]+,30.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518500,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,343.13356,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518501,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,343.13356,[M+H]+,60.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518502,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,343.13356,[M+H]+,30.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518503,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1,343.13356,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccc3)ncn2)s1
518504,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,353.148,[M-H]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518505,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,353.148,[M-H]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518506,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,353.148,[M-H]-,60.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518507,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,353.148,[M-H]-,15.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518508,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,353.148,[M-H]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518509,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,389.12467,[M+Cl]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518510,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,389.12467,[M+Cl]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518511,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,389.12467,[M+Cl]-,60.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518512,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,389.12467,[M+Cl]-,15.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518513,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,389.12467,[M+Cl]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518514,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,399.15347,[M+FA]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518515,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,399.15347,[M+FA]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518516,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,399.15347,[M+FA]-,60.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518517,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,399.15347,[M+FA]-,15.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518518,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,399.15347,[M+FA]-,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518519,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,355.16255,[M+H]+,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518520,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,355.16255,[M+H]+,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518521,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,355.16255,[M+H]+,60.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518522,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,355.16255,[M+H]+,30.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518523,Cn1nnnc1-c1cc(NC(=O)c2cn(CC3(C)COC3)nn2)ccc1,355.16255,[M+H]+,20.0,test,Cn1nnnc1-c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1
518524,Cc1cc(=O)oc2c1ccc(OC1OC(C)C(O)C(O)C1O)c2,367.10346,[M+FA]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518525,Cc1cc(=O)oc2c1ccc(OC1OC(C)C(O)C(O)C1O)c2,367.10346,[M+FA]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518526,Cc1cc(=O)oc2c1ccc(OC1OC(C)C(O)C(O)C1O)c2,367.10346,[M+FA]-,60.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518527,Cc1cc(=O)oc2c1ccc(OC1OC(C)C(O)C(O)C1O)c2,367.10346,[M+FA]-,15.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518528,Cc1cc(=O)oc2c1ccc(OC1OC(C)C(O)C(O)C1O)c2,367.10346,[M+FA]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518529,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,321.09798,[M-H]-,20.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518530,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,321.09798,[M-H]-,20.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518531,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,321.09798,[M-H]-,60.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518532,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,321.09798,[M-H]-,30.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518533,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,321.09798,[M-H]-,20.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518534,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,367.10346,[M+FA]-,20.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518535,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,367.10346,[M+FA]-,20.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518536,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,367.10346,[M+FA]-,60.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518537,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,367.10346,[M+FA]-,30.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518538,CC1OC(CCO)CC2(O)C(=O)c3c(C(=O)C12O)c(O)ccc3,367.10346,[M+FA]-,20.0,test,CC1OC(CCO)CC2(O)C(=O)c3cccc(O)c3C(=O)C12O
518539,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,357.07465,[M+Cl]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518540,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,357.07465,[M+Cl]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518541,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,357.07465,[M+Cl]-,15.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518542,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,367.10346,[M+FA]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518543,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,367.10346,[M+FA]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518544,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,367.10346,[M+FA]-,60.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518545,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,367.10346,[M+FA]-,15.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518546,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,367.10346,[M+FA]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518547,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,367.10346,[M+FA]-,15.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518548,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,367.10346,[M+FA]-,20.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518549,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12,367.10346,[M+FA]-,60.0,test,Cc1cc(=O)oc2cc(OC3OC(C)C(O)C(O)C3O)ccc12
518550,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O,321.09798,[M-H]-,20.0,test,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O
518551,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O,321.09798,[M-H]-,20.0,test,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O
518552,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O,321.09798,[M-H]-,60.0,test,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O
518553,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O,321.09798,[M-H]-,30.0,test,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O
518554,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O,321.09798,[M-H]-,20.0,test,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O
518555,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O,321.09798,[M-H]-,30.0,test,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O
518556,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O,321.09798,[M-H]-,20.0,test,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O
518557,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O,321.09798,[M-H]-,60.0,test,O=C(/C=C/c1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O
518558,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,321.09798,[M-H]-,30.0,test,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O
518559,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,321.09798,[M-H]-,30.0,test,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O
518560,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,321.09798,[M-H]-,20.0,test,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O
518561,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,321.09798,[M-H]-,60.0,test,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O
518562,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,321.09798,[M-H]-,30.0,test,O=C(/C=C/c1ccccc1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O
518563,CN(C(=O)CN1CCCC1=O)C1CCOc2c1cc(Br)cc2,367.06518,[M+H]+,20.0,test,CN(C(=O)CN1CCCC1=O)C1CCOc2ccc(Br)cc21
518564,CN(C(=O)CN1CCCC1=O)C1CCOc2c1cc(Br)cc2,367.06518,[M+H]+,20.0,test,CN(C(=O)CN1CCCC1=O)C1CCOc2ccc(Br)cc21
518565,CN(C(=O)CN1CCCC1=O)C1CCOc2c1cc(Br)cc2,367.06518,[M+H]+,60.0,test,CN(C(=O)CN1CCCC1=O)C1CCOc2ccc(Br)cc21
518566,CN(C(=O)CN1CCCC1=O)C1CCOc2c1cc(Br)cc2,367.06518,[M+H]+,15.0,test,CN(C(=O)CN1CCCC1=O)C1CCOc2ccc(Br)cc21
518567,CN(C(=O)CN1CCCC1=O)C1CCOc2c1cc(Br)cc2,367.06518,[M+H]+,20.0,test,CN(C(=O)CN1CCCC1=O)C1CCOc2ccc(Br)cc21
518568,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,409.03393,[M-H]-,20.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518569,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,409.03393,[M-H]-,20.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518570,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,409.03393,[M-H]-,60.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518571,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,409.03393,[M-H]-,20.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518572,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,409.03393,[M-H]-,45.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518573,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,409.03393,[M-H]-,60.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518574,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,409.03393,[M-H]-,20.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518575,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,409.03393,[M-H]-,45.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518576,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,411.04848,[M+H]+,20.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518577,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,411.04848,[M+H]+,20.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518578,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,411.04848,[M+H]+,60.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518579,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,411.04848,[M+H]+,30.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518580,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ncc(Br)cc2)cs1,411.04848,[M+H]+,20.0,test,CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1
518581,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1,411.04848,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1
518582,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1,411.04848,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1
518583,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1,411.04848,[M+H]+,60.0,test,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1
518584,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1,411.04848,[M+H]+,15.0,test,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1
518585,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1,411.04848,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1
518586,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1,411.04848,[M+H]+,60.0,test,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1
518587,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1,411.04848,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1
518588,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1,411.04848,[M+H]+,15.0,test,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(Br)cn3)C2)s1
518589,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,350.11894,[M-H]-,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518590,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,350.11894,[M-H]-,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518591,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,350.11894,[M-H]-,60.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518592,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,350.11894,[M-H]-,15.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518593,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,350.11894,[M-H]-,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518594,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,396.12442,[M+FA]-,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518595,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,396.12442,[M+FA]-,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518596,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,396.12442,[M+FA]-,60.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518597,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,396.12442,[M+FA]-,15.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518598,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,396.12442,[M+FA]-,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518599,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,352.13349,[M+H]+,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518600,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,352.13349,[M+H]+,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518601,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,352.13349,[M+H]+,15.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518602,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,352.13349,[M+H]+,60.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518603,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,352.13349,[M+H]+,30.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518604,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,352.13349,[M+H]+,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518605,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,352.13349,[M+H]+,60.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518606,Cc1cc(CNC(=O)N2CCN(c3c(Cl)cc(F)cc3)CC2)n[nH]1,352.13349,[M+H]+,20.0,test,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1
518607,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,367.10662,[M+FA]-,20.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518608,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,367.10662,[M+FA]-,20.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518609,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,367.10662,[M+FA]-,60.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518610,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,367.10662,[M+FA]-,15.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518611,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,367.10662,[M+FA]-,20.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518612,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,323.1157,[M+H]+,20.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518613,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,323.1157,[M+H]+,20.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518614,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,323.1157,[M+H]+,60.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518615,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,323.1157,[M+H]+,30.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518616,CNC(=O)C1CN(C(=O)c2c(OCC3CC3)cccc2Cl)C1,323.1157,[M+H]+,20.0,test,CNC(=O)C1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C1
518617,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,321.10114,[M-H]-,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518618,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,321.10114,[M-H]-,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518619,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,321.10114,[M-H]-,60.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518620,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,321.10114,[M-H]-,30.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518621,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,321.10114,[M-H]-,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518622,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,357.07782,[M+Cl]-,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518623,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,357.07782,[M+Cl]-,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518624,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,357.07782,[M+Cl]-,60.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518625,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,357.07782,[M+Cl]-,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518626,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,321.10114,[M-H]-,20.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518627,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,321.10114,[M-H]-,20.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518628,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,321.10114,[M-H]-,45.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518629,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,321.10114,[M-H]-,60.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518630,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,321.10114,[M-H]-,20.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518631,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,321.10114,[M-H]-,20.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518632,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,321.10114,[M-H]-,45.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518633,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,321.10114,[M-H]-,60.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518634,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,323.1157,[M+H]+,20.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518635,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,323.1157,[M+H]+,20.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518636,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,323.1157,[M+H]+,60.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518637,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,323.1157,[M+H]+,30.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518638,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,323.1157,[M+H]+,20.0,test,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
518639,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,323.1157,[M+H]+,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518640,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,323.1157,[M+H]+,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518641,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,323.1157,[M+H]+,60.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518642,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,323.1157,[M+H]+,30.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518643,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,323.1157,[M+H]+,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518644,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,323.1157,[M+H]+,20.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518645,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,323.1157,[M+H]+,30.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518646,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O,323.1157,[M+H]+,60.0,test,COC(=O)c1c(NCCC(C)C)c2cccc(Cl)c2[nH]c1=O
518647,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1,323.09794,[M+H]+,20.0,test,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1
518648,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1,323.09794,[M+H]+,20.0,test,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1
518649,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1,323.09794,[M+H]+,60.0,test,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1
518650,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1,323.09794,[M+H]+,30.0,test,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1
518651,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1,323.09794,[M+H]+,20.0,test,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1
518652,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1,323.09794,[M+H]+,20.0,test,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1
518653,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1,323.09794,[M+H]+,30.0,test,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1
518654,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1,323.09794,[M+H]+,60.0,test,O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1
518655,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1,335.10917,[M+H]+,20.0,test,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1
518656,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1,335.10917,[M+H]+,20.0,test,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1
518657,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1,335.10917,[M+H]+,60.0,test,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1
518658,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1,335.10917,[M+H]+,30.0,test,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1
518659,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1,335.10917,[M+H]+,20.0,test,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1
518660,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1,335.10917,[M+H]+,30.0,test,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1
518661,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1,335.10917,[M+H]+,60.0,test,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1
518662,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1,335.10917,[M+H]+,20.0,test,Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)nc1
518663,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,338.13217,[M-H]-,20.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518664,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,338.13217,[M-H]-,20.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518665,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,338.13217,[M-H]-,60.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518666,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,338.13217,[M-H]-,20.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518667,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,338.13217,[M-H]-,60.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518668,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,338.13217,[M-H]-,20.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518669,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,340.14672,[M+H]+,20.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518670,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,340.14672,[M+H]+,20.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518671,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,340.14672,[M+H]+,30.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518672,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,340.14672,[M+H]+,60.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518673,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,340.14672,[M+H]+,15.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518674,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,340.14672,[M+H]+,20.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518675,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,340.14672,[M+H]+,60.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518676,O=C(NC1(CCO)CCOCC1)c1c2nc(C(F)F)[nH]c2ccc1,340.14672,[M+H]+,20.0,test,O=C(NC1(CCO)CCOCC1)c1cccc2[nH]c(C(F)F)nc12
518677,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,370.10424,[M-H]-,20.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518678,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,370.10424,[M-H]-,20.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518679,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,370.10424,[M-H]-,45.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518680,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,370.10424,[M-H]-,60.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518681,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,370.10424,[M-H]-,20.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518682,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,370.10424,[M-H]-,45.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518683,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,370.10424,[M-H]-,60.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518684,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,370.10424,[M-H]-,20.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518685,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,372.11879,[M+H]+,20.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518686,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,372.11879,[M+H]+,20.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518687,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,372.11879,[M+H]+,45.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518688,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,372.11879,[M+H]+,60.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518689,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,372.11879,[M+H]+,20.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518690,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,372.11879,[M+H]+,45.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518691,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,372.11879,[M+H]+,20.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518692,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1,372.11879,[M+H]+,60.0,test,O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCCCO2)c1
518693,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12,336.16304,[M+H]+,20.0,test,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12
518694,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12,336.16304,[M+H]+,20.0,test,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12
518695,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12,336.16304,[M+H]+,60.0,test,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12
518696,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12,336.16304,[M+H]+,30.0,test,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12
518697,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12,336.16304,[M+H]+,20.0,test,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12
518698,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12,336.16304,[M+H]+,60.0,test,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12
518699,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12,336.16304,[M+H]+,30.0,test,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12
518700,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12,336.16304,[M+H]+,20.0,test,FC(F)c1nnc2ccc(N3CC4(CCOCC4)C3C3CC3)nn12
518701,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F,336.16304,[M+H]+,20.0,test,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F
518702,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F,336.16304,[M+H]+,20.0,test,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F
518703,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F,336.16304,[M+H]+,60.0,test,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F
518704,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F,336.16304,[M+H]+,30.0,test,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F
518705,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F,336.16304,[M+H]+,20.0,test,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F
518706,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F,336.16304,[M+H]+,60.0,test,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F
518707,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F,336.16304,[M+H]+,30.0,test,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F
518708,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F,336.16304,[M+H]+,20.0,test,O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCCC1C(F)F
518709,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1,373.13044,[M+H]+,20.0,test,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1
518710,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1,373.13044,[M+H]+,20.0,test,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1
518711,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1,373.13044,[M+H]+,60.0,test,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1
518712,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1,373.13044,[M+H]+,30.0,test,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1
518713,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1,373.13044,[M+H]+,20.0,test,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1
518714,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1,373.13044,[M+H]+,60.0,test,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1
518715,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1,373.13044,[M+H]+,30.0,test,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1
518716,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1,373.13044,[M+H]+,20.0,test,Cc1cnc(C2CCN(C(=O)c3cn(CC(F)(F)F)nc3C)CC2)s1
518717,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,367.14997,[M-H]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518718,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,367.14997,[M-H]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518719,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,367.14997,[M-H]-,60.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518720,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,367.14997,[M-H]-,30.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518721,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,367.14997,[M-H]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518722,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,367.14997,[M-H]-,60.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518723,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,367.14997,[M-H]-,30.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518724,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,367.14997,[M-H]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518725,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,403.12664,[M+Cl]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518726,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,403.12664,[M+Cl]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518727,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,403.12664,[M+Cl]-,60.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518728,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,403.12664,[M+Cl]-,15.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518729,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,413.15545,[M+FA]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518730,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,413.15545,[M+FA]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518731,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,413.15545,[M+FA]-,60.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518732,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,413.15545,[M+FA]-,15.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518733,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,413.15545,[M+FA]-,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518734,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,369.16452,[M+H]+,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518735,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,369.16452,[M+H]+,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518736,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,369.16452,[M+H]+,60.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518737,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,369.16452,[M+H]+,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518738,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,369.16452,[M+H]+,45.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518739,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,369.16452,[M+H]+,60.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518740,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,369.16452,[M+H]+,20.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518741,Cn1nccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,369.16452,[M+H]+,45.0,test,Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1
518742,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,349.114,[M-H]-,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518743,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,349.114,[M-H]-,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518744,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,349.114,[M-H]-,60.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518745,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,349.114,[M-H]-,30.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518746,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,349.114,[M-H]-,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518747,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,349.114,[M-H]-,60.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518748,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,349.114,[M-H]-,30.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518749,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,349.114,[M-H]-,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518750,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,385.09068,[M+Cl]-,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518751,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,385.09068,[M+Cl]-,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518752,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,385.09068,[M+Cl]-,60.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518753,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,385.09068,[M+Cl]-,15.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518754,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,385.09068,[M+Cl]-,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518755,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,351.12855,[M+H]+,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518756,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,351.12855,[M+H]+,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518757,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,351.12855,[M+H]+,60.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518758,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,351.12855,[M+H]+,30.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518759,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1,351.12855,[M+H]+,20.0,test,CCc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1
518760,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1,239.15428,[M]+,20.0,test,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1
518761,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1,239.15428,[M]+,20.0,test,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1
518762,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1,239.15428,[M]+,60.0,test,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1
518763,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1,239.15428,[M]+,20.0,test,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1
518764,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1,239.15428,[M]+,60.0,test,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1
518765,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1,239.15428,[M]+,20.0,test,CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1
518766,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,324.15783,[M-H]-,20.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518767,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,324.15783,[M-H]-,20.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518768,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,324.15783,[M-H]-,60.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518769,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,324.15783,[M-H]-,30.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518770,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,324.15783,[M-H]-,20.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518771,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,324.15783,[M-H]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518772,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,324.15783,[M-H]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518773,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,324.15783,[M-H]-,60.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518774,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,324.15783,[M-H]-,15.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518775,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,324.15783,[M-H]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518776,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,324.15783,[M-H]-,60.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518777,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,324.15783,[M-H]-,15.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518778,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,324.15783,[M-H]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518779,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,360.13451,[M+Cl]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518780,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,360.13451,[M+Cl]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518781,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,360.13451,[M+Cl]-,15.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518782,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,360.13451,[M+Cl]-,60.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518783,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,360.13451,[M+Cl]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518784,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,370.16331,[M+FA]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518785,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,370.16331,[M+FA]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518786,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,370.16331,[M+FA]-,60.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518787,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,370.16331,[M+FA]-,15.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518788,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,370.16331,[M+FA]-,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518789,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O,326.17238,[M+H]+,20.0,test,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O
518790,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O,326.17238,[M+H]+,20.0,test,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O
518791,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O,326.17238,[M+H]+,60.0,test,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O
518792,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O,326.17238,[M+H]+,20.0,test,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O
518793,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O,326.17238,[M+H]+,45.0,test,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O
518794,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O,326.17238,[M+H]+,60.0,test,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O
518795,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O,326.17238,[M+H]+,20.0,test,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O
518796,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O,326.17238,[M+H]+,45.0,test,Cn1c(C2C(C3CC3)CCN2c2ncnn3cccc23)n[nH]c1=O
518797,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,326.17238,[M+H]+,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518798,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,326.17238,[M+H]+,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518799,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,326.17238,[M+H]+,30.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518800,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,326.17238,[M+H]+,60.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518801,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,326.17238,[M+H]+,15.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518802,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,326.17238,[M+H]+,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518803,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,326.17238,[M+H]+,60.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518804,CCn1cc(NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)cn1,326.17238,[M+H]+,20.0,test,CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
518805,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,326.17238,[M+H]+,20.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518806,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,326.17238,[M+H]+,20.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518807,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,326.17238,[M+H]+,60.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518808,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,326.17238,[M+H]+,30.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518809,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,326.17238,[M+H]+,20.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518810,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,326.17238,[M+H]+,60.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518811,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,326.17238,[M+H]+,30.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518812,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1,326.17238,[M+H]+,20.0,test,O[C@H]1CC(Cn2cccn2)C[C@@H]1Nc1nccc(-n2ccnc2)n1
518813,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,20.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518814,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,20.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518815,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,60.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518816,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,30.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518817,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,20.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518818,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1,326.17238,[M+H]+,20.0,test,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1
518819,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1,326.17238,[M+H]+,20.0,test,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1
518820,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1,326.17238,[M+H]+,60.0,test,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1
518821,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1,326.17238,[M+H]+,30.0,test,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1
518822,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1,326.17238,[M+H]+,20.0,test,Cn1ncnc1CN1CCC(Cc2nc(-c3ccncc3)no2)C1
518823,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,324.15783,[M-H]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518824,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,324.15783,[M-H]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518825,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,324.15783,[M-H]-,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518826,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,324.15783,[M-H]-,30.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518827,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,324.15783,[M-H]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518828,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,324.15783,[M-H]-,30.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518829,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,324.15783,[M-H]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518830,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,324.15783,[M-H]-,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518831,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,360.13451,[M+Cl]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518832,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,360.13451,[M+Cl]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518833,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,360.13451,[M+Cl]-,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518834,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,360.13451,[M+Cl]-,15.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518835,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,360.13451,[M+Cl]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518836,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,370.16331,[M+FA]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518837,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,370.16331,[M+FA]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518838,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,370.16331,[M+FA]-,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518839,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,370.16331,[M+FA]-,15.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518840,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,370.16331,[M+FA]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518841,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,370.16331,[M+FA]-,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518842,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,370.16331,[M+FA]-,15.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518843,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,370.16331,[M+FA]-,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518844,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,324.15783,[M-H]-,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518845,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,324.15783,[M-H]-,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518846,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,324.15783,[M-H]-,45.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518847,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,324.15783,[M-H]-,60.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518848,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,324.15783,[M-H]-,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518849,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,324.15783,[M-H]-,45.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518850,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,324.15783,[M-H]-,60.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518851,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,324.15783,[M-H]-,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518852,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,360.13451,[M+Cl]-,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518853,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,360.13451,[M+Cl]-,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518854,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,360.13451,[M+Cl]-,60.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518855,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,360.13451,[M+Cl]-,15.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518856,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,360.13451,[M+Cl]-,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518857,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,324.15783,[M-H]-,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518858,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,324.15783,[M-H]-,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518859,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,324.15783,[M-H]-,60.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518860,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,324.15783,[M-H]-,30.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518861,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,324.15783,[M-H]-,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518862,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,324.15783,[M-H]-,30.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518863,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,324.15783,[M-H]-,60.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518864,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,324.15783,[M-H]-,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518865,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,360.13451,[M+Cl]-,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518866,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,360.13451,[M+Cl]-,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518867,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,360.13451,[M+Cl]-,60.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518868,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,360.13451,[M+Cl]-,15.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518869,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,360.13451,[M+Cl]-,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518870,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,360.13451,[M+Cl]-,60.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518871,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,360.13451,[M+Cl]-,15.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518872,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,360.13451,[M+Cl]-,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518873,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,326.17238,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518874,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,326.17238,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518875,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,326.17238,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518876,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,326.17238,[M+H]+,15.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518877,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,326.17238,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518878,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,326.17238,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518879,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,326.17238,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518880,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1,326.17238,[M+H]+,15.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(C)c(-n3cnnn3)c2)n1
518881,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,326.17238,[M+H]+,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518882,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,326.17238,[M+H]+,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518883,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,326.17238,[M+H]+,45.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518884,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,326.17238,[M+H]+,60.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518885,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,326.17238,[M+H]+,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518886,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,326.17238,[M+H]+,45.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518887,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,326.17238,[M+H]+,60.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518888,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1,326.17238,[M+H]+,20.0,test,COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1
518889,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,20.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518890,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,20.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518891,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,60.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518892,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,30.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518893,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,20.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518894,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,45.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518895,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,20.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518896,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O,326.17238,[M+H]+,60.0,test,Cn1nc(C2CCN(c3nccc(C#N)n3)CC2)n(C2CC2)c1=O
518897,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1,326.17238,[M+H]+,20.0,test,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
518898,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1,326.17238,[M+H]+,20.0,test,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
518899,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1,326.17238,[M+H]+,60.0,test,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
518900,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1,326.17238,[M+H]+,30.0,test,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
518901,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1,326.17238,[M+H]+,20.0,test,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
518902,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1,326.17238,[M+H]+,30.0,test,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
518903,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1,326.17238,[M+H]+,20.0,test,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
518904,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1,326.17238,[M+H]+,60.0,test,Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
518905,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,326.17238,[M+H]+,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518906,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,326.17238,[M+H]+,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518907,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,326.17238,[M+H]+,60.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518908,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,326.17238,[M+H]+,30.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518909,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,326.17238,[M+H]+,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518910,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,326.17238,[M+H]+,60.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518911,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,326.17238,[M+H]+,30.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518912,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1,326.17238,[M+H]+,20.0,test,O=C(CCCn1cnnn1)N1CCCC1c1nc2ccccc2[nH]1
518913,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12,326.17238,[M+H]+,20.0,test,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12
518914,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12,326.17238,[M+H]+,20.0,test,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12
518915,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12,326.17238,[M+H]+,15.0,test,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12
518916,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12,326.17238,[M+H]+,60.0,test,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12
518917,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12,326.17238,[M+H]+,30.0,test,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12
518918,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12,326.17238,[M+H]+,20.0,test,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12
518919,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12,326.17238,[M+H]+,60.0,test,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12
518920,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12,326.17238,[M+H]+,20.0,test,Cc1nnc2c(N3CCCC(COc4ncccn4)C3)nccn12
518921,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1,326.17238,[M+H]+,20.0,test,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
518922,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1,326.17238,[M+H]+,20.0,test,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
518923,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1,326.17238,[M+H]+,60.0,test,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
518924,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1,326.17238,[M+H]+,30.0,test,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
518925,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1,326.17238,[M+H]+,20.0,test,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
518926,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1,326.17238,[M+H]+,30.0,test,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
518927,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1,326.17238,[M+H]+,60.0,test,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
518928,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1,326.17238,[M+H]+,20.0,test,COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
518929,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1,258.14885,[M+H]+,20.0,test,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1
518930,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1,258.14885,[M+H]+,20.0,test,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1
518931,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1,258.14885,[M+H]+,60.0,test,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1
518932,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1,258.14885,[M+H]+,15.0,test,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1
518933,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1,258.14885,[M+H]+,20.0,test,CC1(C)CC(C(=O)NCc2coc3ccccc23)C1
518934,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3,258.14885,[M+H]+,20.0,test,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3
518935,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3,258.14885,[M+H]+,20.0,test,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3
518936,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3,258.14885,[M+H]+,60.0,test,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3
518937,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3,258.14885,[M+H]+,15.0,test,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3
518938,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3,258.14885,[M+H]+,20.0,test,CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3
518939,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,372.15405,[M+FA]-,20.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518940,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,372.15405,[M+FA]-,20.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518941,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,328.16312,[M+H]+,20.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518942,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,328.16312,[M+H]+,20.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518943,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,328.16312,[M+H]+,30.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518944,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,328.16312,[M+H]+,60.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518945,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,328.16312,[M+H]+,15.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518946,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,328.16312,[M+H]+,20.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518947,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,328.16312,[M+H]+,60.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518948,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1,328.16312,[M+H]+,20.0,test,NCCc1ccc(C(=O)NC[C@]23CNC[C@@]2(C(F)(F)F)C3)cc1
518949,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1,328.16312,[M+H]+,20.0,test,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
518950,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1,328.16312,[M+H]+,20.0,test,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
518951,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1,328.16312,[M+H]+,45.0,test,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
518952,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1,328.16312,[M+H]+,60.0,test,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
518953,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1,328.16312,[M+H]+,20.0,test,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
518954,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1,328.16312,[M+H]+,45.0,test,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
518955,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1,328.16312,[M+H]+,60.0,test,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
518956,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1,328.16312,[M+H]+,20.0,test,O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
518957,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,320.14159,[M-H]-,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518958,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,320.14159,[M-H]-,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518959,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,320.14159,[M-H]-,60.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518960,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,320.14159,[M-H]-,30.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518961,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,320.14159,[M-H]-,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518962,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,356.11827,[M+Cl]-,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518963,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,356.11827,[M+Cl]-,15.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518964,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,366.14707,[M+FA]-,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518965,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,366.14707,[M+FA]-,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518966,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,366.14707,[M+FA]-,60.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518967,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,366.14707,[M+FA]-,15.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518968,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,366.14707,[M+FA]-,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518969,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,366.14707,[M+FA]-,60.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518970,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,366.14707,[M+FA]-,15.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518971,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,366.14707,[M+FA]-,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518972,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,322.15615,[M+H]+,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518973,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,322.15615,[M+H]+,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518974,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,322.15615,[M+H]+,60.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518975,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,322.15615,[M+H]+,15.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518976,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1,322.15615,[M+H]+,20.0,test,COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1
518977,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,320.14159,[M-H]-,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518978,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,320.14159,[M-H]-,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518979,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,320.14159,[M-H]-,60.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518980,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,320.14159,[M-H]-,30.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518981,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,320.14159,[M-H]-,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518982,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,366.14707,[M+FA]-,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518983,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,366.14707,[M+FA]-,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518984,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,366.14707,[M+FA]-,60.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518985,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,366.14707,[M+FA]-,15.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518986,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,366.14707,[M+FA]-,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518987,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,366.14707,[M+FA]-,15.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518988,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,366.14707,[M+FA]-,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518989,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,366.14707,[M+FA]-,60.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518990,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,322.15615,[M+H]+,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518991,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,322.15615,[M+H]+,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518992,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,322.15615,[M+H]+,60.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518993,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,322.15615,[M+H]+,30.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518994,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1,322.15615,[M+H]+,20.0,test,O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1
518995,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1,322.15615,[M+H]+,20.0,test,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1
518996,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1,322.15615,[M+H]+,20.0,test,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1
518997,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1,322.15615,[M+H]+,60.0,test,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1
518998,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1,322.15615,[M+H]+,30.0,test,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1
518999,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1,322.15615,[M+H]+,20.0,test,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1
519000,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1,322.15615,[M+H]+,30.0,test,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1
519001,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1,322.15615,[M+H]+,20.0,test,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1
519002,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1,322.15615,[M+H]+,60.0,test,Cc1cnc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(F)c1
519003,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,367.07917,[M-H]-,20.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519004,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,367.07917,[M-H]-,20.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519005,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,367.07917,[M-H]-,60.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519006,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,367.07917,[M-H]-,30.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519007,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,367.07917,[M-H]-,20.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519008,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1,369.09373,[M+H]+,20.0,test,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1
519009,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1,369.09373,[M+H]+,20.0,test,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1
519010,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1,369.09373,[M+H]+,60.0,test,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1
519011,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1,369.09373,[M+H]+,20.0,test,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1
519012,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1,369.09373,[M+H]+,45.0,test,O=C(O)CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1
519013,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,369.09373,[M+H]+,20.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519014,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,369.09373,[M+H]+,20.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519015,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,369.09373,[M+H]+,60.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519016,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,369.09373,[M+H]+,15.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519017,Cc1c(CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)s1,369.09373,[M+H]+,20.0,test,Cc1sc(C(=O)O)cc1CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
519018,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519019,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519020,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,60.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519021,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,15.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519022,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519023,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,60.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519024,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,15.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519025,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519026,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519027,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519028,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,60.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519029,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,15.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519030,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519031,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519032,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519033,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,60.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519034,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,30.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519035,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519036,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519037,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519038,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,60.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519039,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,30.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519040,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,367.07917,[M-H]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519041,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519042,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519043,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,60.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519044,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,15.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519045,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,403.05585,[M+Cl]-,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519046,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519047,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519048,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,60.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519049,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,30.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519050,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519051,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,60.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519052,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,30.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519053,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,369.09373,[M+H]+,20.0,test,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
519054,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,299.15135,[M-H]-,20.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519055,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,299.15135,[M-H]-,20.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519056,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,299.15135,[M-H]-,60.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519057,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,299.15135,[M-H]-,20.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519058,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,299.15135,[M-H]-,45.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519059,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,299.15135,[M-H]-,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519060,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,299.15135,[M-H]-,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519061,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,299.15135,[M-H]-,60.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519062,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,299.15135,[M-H]-,30.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519063,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,299.15135,[M-H]-,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519064,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,345.15683,[M+FA]-,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519065,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,345.15683,[M+FA]-,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519066,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,345.15683,[M+FA]-,60.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519067,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,345.15683,[M+FA]-,15.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519068,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,345.15683,[M+FA]-,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519069,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,335.12803,[M+Cl]-,20.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519070,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,345.15683,[M+FA]-,20.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519071,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,345.15683,[M+FA]-,20.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519072,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,345.15683,[M+FA]-,60.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519073,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,345.15683,[M+FA]-,15.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519074,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,345.15683,[M+FA]-,20.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519075,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,299.15135,[M-H]-,20.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519076,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,299.15135,[M-H]-,20.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519077,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,299.15135,[M-H]-,60.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519078,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,299.15135,[M-H]-,20.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519079,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,299.15135,[M-H]-,60.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519080,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,299.15135,[M-H]-,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519081,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,299.15135,[M-H]-,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519082,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,299.15135,[M-H]-,60.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519083,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,299.15135,[M-H]-,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519084,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,299.15135,[M-H]-,45.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519085,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,299.15135,[M-H]-,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519086,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,299.15135,[M-H]-,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519087,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,299.15135,[M-H]-,30.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519088,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,299.15135,[M-H]-,60.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519089,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,299.15135,[M-H]-,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519090,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,299.15135,[M-H]-,45.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519091,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,299.15135,[M-H]-,60.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519092,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,299.15135,[M-H]-,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519093,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,335.12803,[M+Cl]-,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519094,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,335.12803,[M+Cl]-,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519095,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,335.12803,[M+Cl]-,60.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519096,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,335.12803,[M+Cl]-,15.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519097,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,335.12803,[M+Cl]-,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519098,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,345.15683,[M+FA]-,15.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519099,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,345.15683,[M+FA]-,15.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519100,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,345.15683,[M+FA]-,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519101,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,345.15683,[M+FA]-,60.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519102,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,345.15683,[M+FA]-,15.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519103,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,299.15135,[M-H]-,20.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519104,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,299.15135,[M-H]-,20.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519105,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,299.15135,[M-H]-,60.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519106,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,299.15135,[M-H]-,20.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519107,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,299.15135,[M-H]-,45.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519108,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,299.15135,[M-H]-,60.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519109,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,299.15135,[M-H]-,20.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519110,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,299.15135,[M-H]-,45.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519111,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,299.15135,[M-H]-,20.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519112,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,299.15135,[M-H]-,20.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519113,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,299.15135,[M-H]-,60.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519114,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,299.15135,[M-H]-,30.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519115,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,299.15135,[M-H]-,20.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519116,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,299.15135,[M-H]-,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519117,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,299.15135,[M-H]-,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519118,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,299.15135,[M-H]-,60.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519119,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,299.15135,[M-H]-,30.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519120,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,299.15135,[M-H]-,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519121,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,299.15135,[M-H]-,60.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519122,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,299.15135,[M-H]-,30.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519123,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,299.15135,[M-H]-,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519124,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,345.15683,[M+FA]-,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519125,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,345.15683,[M+FA]-,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519126,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,345.15683,[M+FA]-,60.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519127,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,345.15683,[M+FA]-,15.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519128,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,345.15683,[M+FA]-,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519129,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,299.15135,[M-H]-,30.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519130,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,299.15135,[M-H]-,30.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519131,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,299.15135,[M-H]-,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519132,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,299.15135,[M-H]-,60.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519133,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,299.15135,[M-H]-,30.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519134,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,335.12803,[M+Cl]-,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519135,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,335.12803,[M+Cl]-,15.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519136,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,345.15683,[M+FA]-,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519137,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,345.15683,[M+FA]-,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519138,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,345.15683,[M+FA]-,60.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519139,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,345.15683,[M+FA]-,15.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519140,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,345.15683,[M+FA]-,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519141,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,345.15683,[M+FA]-,60.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519142,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,345.15683,[M+FA]-,15.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519143,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,345.15683,[M+FA]-,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519144,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,299.15135,[M-H]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519145,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,299.15135,[M-H]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519146,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,299.15135,[M-H]-,60.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519147,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,299.15135,[M-H]-,30.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519148,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,299.15135,[M-H]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519149,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,299.15135,[M-H]-,60.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519150,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,299.15135,[M-H]-,30.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519151,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,299.15135,[M-H]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519152,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,335.12803,[M+Cl]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519153,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,335.12803,[M+Cl]-,15.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519154,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,335.12803,[M+Cl]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519155,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,335.12803,[M+Cl]-,15.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519156,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,335.12803,[M+Cl]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519157,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,345.15683,[M+FA]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519158,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,345.15683,[M+FA]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519159,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,345.15683,[M+FA]-,60.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519160,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,345.15683,[M+FA]-,15.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519161,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,345.15683,[M+FA]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519162,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,345.15683,[M+FA]-,60.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519163,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,345.15683,[M+FA]-,15.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519164,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,345.15683,[M+FA]-,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519165,Cc1c(C(=O)N2CCCN(C)CC2)c(-c2cnccc2)no1,301.1659,[M+H]+,20.0,test,Cc1onc(-c2cccnc2)c1C(=O)N1CCCN(C)CC1
519166,Cc1c(C(=O)N2CCCN(C)CC2)c(-c2cnccc2)no1,301.1659,[M+H]+,20.0,test,Cc1onc(-c2cccnc2)c1C(=O)N1CCCN(C)CC1
519167,Cc1c(C(=O)N2CCCN(C)CC2)c(-c2cnccc2)no1,301.1659,[M+H]+,60.0,test,Cc1onc(-c2cccnc2)c1C(=O)N1CCCN(C)CC1
519168,Cc1c(C(=O)N2CCCN(C)CC2)c(-c2cnccc2)no1,301.1659,[M+H]+,30.0,test,Cc1onc(-c2cccnc2)c1C(=O)N1CCCN(C)CC1
519169,Cc1c(C(=O)N2CCCN(C)CC2)c(-c2cnccc2)no1,301.1659,[M+H]+,20.0,test,Cc1onc(-c2cccnc2)c1C(=O)N1CCCN(C)CC1
519170,Cc1c(C(=O)N2CCCN(C)CC2)c(-c2cnccc2)no1,301.1659,[M+H]+,60.0,test,Cc1onc(-c2cccnc2)c1C(=O)N1CCCN(C)CC1
519171,Cc1c(C(=O)N2CCCN(C)CC2)c(-c2cnccc2)no1,301.1659,[M+H]+,30.0,test,Cc1onc(-c2cccnc2)c1C(=O)N1CCCN(C)CC1
519172,Cc1c(C(=O)N2CCCN(C)CC2)c(-c2cnccc2)no1,301.1659,[M+H]+,20.0,test,Cc1onc(-c2cccnc2)c1C(=O)N1CCCN(C)CC1
519173,COc1c(C(=O)N2CCC(n3ccnc3)CC2)ccc(C)n1,301.1659,[M+H]+,20.0,test,COc1nc(C)ccc1C(=O)N1CCC(n2ccnc2)CC1
519174,COc1c(C(=O)N2CCC(n3ccnc3)CC2)ccc(C)n1,301.1659,[M+H]+,20.0,test,COc1nc(C)ccc1C(=O)N1CCC(n2ccnc2)CC1
519175,COc1c(C(=O)N2CCC(n3ccnc3)CC2)ccc(C)n1,301.1659,[M+H]+,30.0,test,COc1nc(C)ccc1C(=O)N1CCC(n2ccnc2)CC1
519176,COc1c(C(=O)N2CCC(n3ccnc3)CC2)ccc(C)n1,301.1659,[M+H]+,60.0,test,COc1nc(C)ccc1C(=O)N1CCC(n2ccnc2)CC1
519177,COc1c(C(=O)N2CCC(n3ccnc3)CC2)ccc(C)n1,301.1659,[M+H]+,15.0,test,COc1nc(C)ccc1C(=O)N1CCC(n2ccnc2)CC1
519178,COc1c(C(=O)N2CCC(n3ccnc3)CC2)ccc(C)n1,301.1659,[M+H]+,20.0,test,COc1nc(C)ccc1C(=O)N1CCC(n2ccnc2)CC1
519179,COc1c(C(=O)N2CCC(n3ccnc3)CC2)ccc(C)n1,301.1659,[M+H]+,60.0,test,COc1nc(C)ccc1C(=O)N1CCC(n2ccnc2)CC1
519180,COc1c(C(=O)N2CCC(n3ccnc3)CC2)ccc(C)n1,301.1659,[M+H]+,20.0,test,COc1nc(C)ccc1C(=O)N1CCC(n2ccnc2)CC1
519181,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1,301.1659,[M+H]+,20.0,test,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1
519182,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1,301.1659,[M+H]+,20.0,test,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1
519183,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1,301.1659,[M+H]+,60.0,test,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1
519184,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1,301.1659,[M+H]+,15.0,test,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1
519185,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1,301.1659,[M+H]+,20.0,test,O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1
519186,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,265.14478,[M+H-2H2O]+,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519187,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,265.14478,[M+H-2H2O]+,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519188,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,265.14478,[M+H-2H2O]+,60.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519189,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,265.14478,[M+H-2H2O]+,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519190,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,265.14478,[M+H-2H2O]+,45.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519191,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,301.1659,[M+H]+,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519192,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,301.1659,[M+H]+,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519193,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,301.1659,[M+H]+,60.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519194,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,301.1659,[M+H]+,20.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519195,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21,301.1659,[M+H]+,45.0,test,CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21
519196,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1,301.1659,[M+H]+,20.0,test,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1
519197,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1,301.1659,[M+H]+,20.0,test,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1
519198,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1,301.1659,[M+H]+,60.0,test,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1
519199,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1,301.1659,[M+H]+,30.0,test,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1
519200,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1,301.1659,[M+H]+,20.0,test,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1
519201,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1,301.1659,[M+H]+,60.0,test,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1
519202,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1,301.1659,[M+H]+,30.0,test,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1
519203,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1,301.1659,[M+H]+,20.0,test,CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1
519204,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519205,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519206,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,301.1659,[M+H]+,60.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519207,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,301.1659,[M+H]+,30.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519208,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519209,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,301.1659,[M+H]+,60.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519210,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,301.1659,[M+H]+,30.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519211,COc1cccc(N2CCN(C(=O)c3c(C)cn[nH]3)CC2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(N2CCN(C(=O)c3[nH]ncc3C)CC2)c1
519212,c1cc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)cnc1,301.1659,[M+H]+,20.0,test,c1cncc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)c1
519213,c1cc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)cnc1,301.1659,[M+H]+,20.0,test,c1cncc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)c1
519214,c1cc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)cnc1,301.1659,[M+H]+,60.0,test,c1cncc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)c1
519215,c1cc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)cnc1,301.1659,[M+H]+,30.0,test,c1cncc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)c1
519216,c1cc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)cnc1,301.1659,[M+H]+,20.0,test,c1cncc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)c1
519217,c1cc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)cnc1,301.1659,[M+H]+,60.0,test,c1cncc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)c1
519218,c1cc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)cnc1,301.1659,[M+H]+,30.0,test,c1cncc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)c1
519219,c1cc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)cnc1,301.1659,[M+H]+,20.0,test,c1cncc(OC2CCN(Cc3n[nH]c4c3COCC4)C2)c1
519220,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1,301.1659,[M+H]+,20.0,test,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1
519221,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1,301.1659,[M+H]+,20.0,test,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1
519222,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1,301.1659,[M+H]+,60.0,test,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1
519223,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1,301.1659,[M+H]+,30.0,test,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1
519224,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1,301.1659,[M+H]+,20.0,test,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1
519225,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1,301.1659,[M+H]+,45.0,test,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1
519226,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1,301.1659,[M+H]+,60.0,test,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1
519227,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1,301.1659,[M+H]+,20.0,test,O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)N1CCCCCC1
519228,CCC1(C)COCCN1C(=O)c1nccc(-n2cccn2)c1,301.1659,[M+H]+,15.0,test,CCC1(C)COCCN1C(=O)c1cc(-n2cccn2)ccn1
519229,CCC1(C)COCCN1C(=O)c1nccc(-n2cccn2)c1,301.1659,[M+H]+,15.0,test,CCC1(C)COCCN1C(=O)c1cc(-n2cccn2)ccn1
519230,CCC1(C)COCCN1C(=O)c1nccc(-n2cccn2)c1,301.1659,[M+H]+,20.0,test,CCC1(C)COCCN1C(=O)c1cc(-n2cccn2)ccn1
519231,CCC1(C)COCCN1C(=O)c1nccc(-n2cccn2)c1,301.1659,[M+H]+,60.0,test,CCC1(C)COCCN1C(=O)c1cc(-n2cccn2)ccn1
519232,CCC1(C)COCCN1C(=O)c1nccc(-n2cccn2)c1,301.1659,[M+H]+,15.0,test,CCC1(C)COCCN1C(=O)c1cc(-n2cccn2)ccn1
519233,CCC1(C)COCCN1C(=O)c1nccc(-n2cccn2)c1,301.1659,[M+H]+,20.0,test,CCC1(C)COCCN1C(=O)c1cc(-n2cccn2)ccn1
519234,CCC1(C)COCCN1C(=O)c1nccc(-n2cccn2)c1,301.1659,[M+H]+,60.0,test,CCC1(C)COCCN1C(=O)c1cc(-n2cccn2)ccn1
519235,CCC1(C)COCCN1C(=O)c1nccc(-n2cccn2)c1,301.1659,[M+H]+,15.0,test,CCC1(C)COCCN1C(=O)c1cc(-n2cccn2)ccn1
519236,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1,301.1659,[M+H]+,20.0,test,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1
519237,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1,301.1659,[M+H]+,20.0,test,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1
519238,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1,301.1659,[M+H]+,60.0,test,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1
519239,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1,301.1659,[M+H]+,30.0,test,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1
519240,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1,301.1659,[M+H]+,20.0,test,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1
519241,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1,301.1659,[M+H]+,60.0,test,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1
519242,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1,301.1659,[M+H]+,30.0,test,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1
519243,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1,301.1659,[M+H]+,20.0,test,O=C(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1
519244,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,301.1659,[M+H]+,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519245,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,301.1659,[M+H]+,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519246,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,301.1659,[M+H]+,60.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519247,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,301.1659,[M+H]+,30.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519248,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1,301.1659,[M+H]+,20.0,test,COc1cccc(NC(=O)NC2CCCc3nn(C)cc32)c1
519249,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,301.1659,[M+H]+,45.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519250,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,301.1659,[M+H]+,45.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519251,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,301.1659,[M+H]+,20.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519252,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,301.1659,[M+H]+,60.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519253,Cn1cc(-c2cc(C(=O)NC3CCC(O)CC3)cnc2)cn1,301.1659,[M+H]+,45.0,test,Cn1cc(-c2cncc(C(=O)NC3CCC(O)CC3)c2)cn1
519254,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,301.1659,[M+H]+,20.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519255,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,301.1659,[M+H]+,20.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519256,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,301.1659,[M+H]+,60.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519257,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,301.1659,[M+H]+,20.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519258,CC(C)CC1C(=O)NCCN1C(=O)c1cc2c(ccnc2)[nH]1,301.1659,[M+H]+,45.0,test,CC(C)CC1C(=O)NCCN1C(=O)c1cc2cnccc2[nH]1
519259,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1,301.1659,[M+H]+,20.0,test,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1
519260,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1,301.1659,[M+H]+,20.0,test,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1
519261,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1,301.1659,[M+H]+,60.0,test,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1
519262,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1,301.1659,[M+H]+,30.0,test,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1
519263,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1,301.1659,[M+H]+,20.0,test,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1
519264,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1,301.1659,[M+H]+,60.0,test,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1
519265,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1,301.1659,[M+H]+,30.0,test,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1
519266,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1,301.1659,[M+H]+,20.0,test,c1ccc(-n2ncnc2CN2CCOC3(CCOC3)C2)cc1
519267,CC(C)c1c(C(=O)N2CCN(c3nnccc3)CC2)occ1,301.1659,[M+H]+,20.0,test,CC(C)c1ccoc1C(=O)N1CCN(c2cccnn2)CC1
519268,CC(C)c1c(C(=O)N2CCN(c3nnccc3)CC2)occ1,301.1659,[M+H]+,20.0,test,CC(C)c1ccoc1C(=O)N1CCN(c2cccnn2)CC1
519269,CC(C)c1c(C(=O)N2CCN(c3nnccc3)CC2)occ1,301.1659,[M+H]+,60.0,test,CC(C)c1ccoc1C(=O)N1CCN(c2cccnn2)CC1
519270,CC(C)c1c(C(=O)N2CCN(c3nnccc3)CC2)occ1,301.1659,[M+H]+,30.0,test,CC(C)c1ccoc1C(=O)N1CCN(c2cccnn2)CC1
519271,CC(C)c1c(C(=O)N2CCN(c3nnccc3)CC2)occ1,301.1659,[M+H]+,20.0,test,CC(C)c1ccoc1C(=O)N1CCN(c2cccnn2)CC1
519272,CC(C)c1c(C(=O)N2CCN(c3nnccc3)CC2)occ1,301.1659,[M+H]+,60.0,test,CC(C)c1ccoc1C(=O)N1CCN(c2cccnn2)CC1
519273,CC(C)c1c(C(=O)N2CCN(c3nnccc3)CC2)occ1,301.1659,[M+H]+,30.0,test,CC(C)c1ccoc1C(=O)N1CCN(c2cccnn2)CC1
519274,CC(C)c1c(C(=O)N2CCN(c3nnccc3)CC2)occ1,301.1659,[M+H]+,20.0,test,CC(C)c1ccoc1C(=O)N1CCN(c2cccnn2)CC1
519275,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,301.1659,[M+H]+,20.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519276,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,301.1659,[M+H]+,20.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519277,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,301.1659,[M+H]+,60.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519278,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,301.1659,[M+H]+,15.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519279,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1,301.1659,[M+H]+,20.0,test,Cc1noc(CCNC(=O)NC2CCCc3ccccc32)n1
519280,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,301.1659,[M+H]+,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519281,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,301.1659,[M+H]+,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519282,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,301.1659,[M+H]+,60.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519283,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,301.1659,[M+H]+,30.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519284,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,301.1659,[M+H]+,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519285,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,301.1659,[M+H]+,60.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519286,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,301.1659,[M+H]+,30.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519287,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1,301.1659,[M+H]+,20.0,test,C[C@H](NC(=O)C1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1
519288,Cn1cc(-c2c(C(=O)N3CC4CCCC4(N)C3)occ2)cn1,301.1659,[M+H]+,20.0,test,Cn1cc(-c2ccoc2C(=O)N2CC3CCCC3(N)C2)cn1
519289,Cn1cc(-c2c(C(=O)N3CC4CCCC4(N)C3)occ2)cn1,301.1659,[M+H]+,20.0,test,Cn1cc(-c2ccoc2C(=O)N2CC3CCCC3(N)C2)cn1
519290,Cn1cc(-c2c(C(=O)N3CC4CCCC4(N)C3)occ2)cn1,301.1659,[M+H]+,60.0,test,Cn1cc(-c2ccoc2C(=O)N2CC3CCCC3(N)C2)cn1
519291,Cn1cc(-c2c(C(=O)N3CC4CCCC4(N)C3)occ2)cn1,301.1659,[M+H]+,30.0,test,Cn1cc(-c2ccoc2C(=O)N2CC3CCCC3(N)C2)cn1
519292,Cn1cc(-c2c(C(=O)N3CC4CCCC4(N)C3)occ2)cn1,301.1659,[M+H]+,20.0,test,Cn1cc(-c2ccoc2C(=O)N2CC3CCCC3(N)C2)cn1
519293,Cn1cc(-c2c(C(=O)N3CC4CCCC4(N)C3)occ2)cn1,301.1659,[M+H]+,60.0,test,Cn1cc(-c2ccoc2C(=O)N2CC3CCCC3(N)C2)cn1
519294,Cn1cc(-c2c(C(=O)N3CC4CCCC4(N)C3)occ2)cn1,301.1659,[M+H]+,30.0,test,Cn1cc(-c2ccoc2C(=O)N2CC3CCCC3(N)C2)cn1
519295,Cn1cc(-c2c(C(=O)N3CC4CCCC4(N)C3)occ2)cn1,301.1659,[M+H]+,20.0,test,Cn1cc(-c2ccoc2C(=O)N2CC3CCCC3(N)C2)cn1
519296,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,301.1659,[M+H]+,20.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519297,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,301.1659,[M+H]+,20.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519298,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,301.1659,[M+H]+,60.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519299,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,301.1659,[M+H]+,30.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519300,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,301.1659,[M+H]+,20.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519301,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,301.1659,[M+H]+,60.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519302,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,301.1659,[M+H]+,30.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519303,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O,301.1659,[M+H]+,20.0,test,CCN1CC(C(=O)NCc2nc3ccccc3n2C)CC1=O
519304,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1,301.1659,[M+H]+,20.0,test,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1
519305,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1,301.1659,[M+H]+,20.0,test,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1
519306,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1,301.1659,[M+H]+,60.0,test,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1
519307,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1,301.1659,[M+H]+,30.0,test,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1
519308,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1,301.1659,[M+H]+,20.0,test,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1
519309,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1,301.1659,[M+H]+,60.0,test,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1
519310,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1,301.1659,[M+H]+,30.0,test,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1
519311,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1,301.1659,[M+H]+,20.0,test,OC1c2ccccc2CC1n1cc(CN2CCOCC2)nn1
519312,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1,301.1659,[M+H]+,20.0,test,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1
519313,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1,301.1659,[M+H]+,20.0,test,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1
519314,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1,301.1659,[M+H]+,60.0,test,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1
519315,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1,301.1659,[M+H]+,30.0,test,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1
519316,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1,301.1659,[M+H]+,20.0,test,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1
519317,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1,301.1659,[M+H]+,60.0,test,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1
519318,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1,301.1659,[M+H]+,30.0,test,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1
519319,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1,301.1659,[M+H]+,20.0,test,Cc1nonc1C(=O)N1CCN(C)C(Cc2ccccc2)C1
519320,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,301.1659,[M+H]+,20.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519321,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,301.1659,[M+H]+,20.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519322,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,301.1659,[M+H]+,60.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519323,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,301.1659,[M+H]+,30.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519324,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,301.1659,[M+H]+,20.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519325,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,301.1659,[M+H]+,60.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519326,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,301.1659,[M+H]+,30.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519327,O=C(NC1CCC(CO)CC1)c1ncc(-c2c[nH]nc2)cc1,301.1659,[M+H]+,20.0,test,O=C(NC1CCC(CO)CC1)c1ccc(-c2cn[nH]c2)cn1
519328,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1,301.1659,[M+H]+,15.0,test,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1
519329,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1,301.1659,[M+H]+,15.0,test,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1
519330,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1,301.1659,[M+H]+,20.0,test,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1
519331,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1,301.1659,[M+H]+,60.0,test,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1
519332,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1,301.1659,[M+H]+,15.0,test,CC(C)(C)n1cc(C(=O)N2CC(CO)c3ccccc32)nn1
519333,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,301.1659,[M+H]+,20.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519334,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,301.1659,[M+H]+,20.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519335,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,301.1659,[M+H]+,60.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519336,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,301.1659,[M+H]+,30.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519337,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1,301.1659,[M+H]+,20.0,test,O=C(O)C1CCCCN1Cc1cn(Cc2ccccc2)nn1
519338,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1,301.1659,[M+H]+,20.0,test,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1
519339,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1,301.1659,[M+H]+,20.0,test,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1
519340,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1,301.1659,[M+H]+,60.0,test,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1
519341,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1,301.1659,[M+H]+,15.0,test,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1
519342,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1,301.1659,[M+H]+,20.0,test,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1
519343,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1,301.1659,[M+H]+,60.0,test,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1
519344,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1,301.1659,[M+H]+,15.0,test,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1
519345,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1,301.1659,[M+H]+,20.0,test,Cc1nc(-c2ccccc2NC(=O)N2CCCCCC2)no1
519346,CC(=O)N(C)CC(=O)N1CCCc2c3ncn(C)c3ccc21,301.1659,[M+H]+,20.0,test,CC(=O)N(C)CC(=O)N1CCCc2c1ccc1c2ncn1C
519347,CC(=O)N(C)CC(=O)N1CCCc2c3ncn(C)c3ccc21,301.1659,[M+H]+,20.0,test,CC(=O)N(C)CC(=O)N1CCCc2c1ccc1c2ncn1C
519348,CC(=O)N(C)CC(=O)N1CCCc2c3ncn(C)c3ccc21,301.1659,[M+H]+,60.0,test,CC(=O)N(C)CC(=O)N1CCCc2c1ccc1c2ncn1C
519349,CC(=O)N(C)CC(=O)N1CCCc2c3ncn(C)c3ccc21,301.1659,[M+H]+,15.0,test,CC(=O)N(C)CC(=O)N1CCCc2c1ccc1c2ncn1C
519350,CC(=O)N(C)CC(=O)N1CCCc2c3ncn(C)c3ccc21,301.1659,[M+H]+,20.0,test,CC(=O)N(C)CC(=O)N1CCCc2c1ccc1c2ncn1C
519351,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1,301.1659,[M+H]+,20.0,test,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1
519352,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1,301.1659,[M+H]+,20.0,test,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1
519353,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1,301.1659,[M+H]+,60.0,test,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1
519354,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1,301.1659,[M+H]+,20.0,test,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1
519355,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1,301.1659,[M+H]+,60.0,test,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1
519356,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1,301.1659,[M+H]+,20.0,test,CCC1(C)COCCN1C(=O)c1ccc(-n2cnnc2)cc1
519357,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,301.1659,[M+H]+,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519358,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,301.1659,[M+H]+,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519359,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,301.1659,[M+H]+,60.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519360,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,301.1659,[M+H]+,30.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519361,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,301.1659,[M+H]+,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519362,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,301.1659,[M+H]+,60.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519363,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,301.1659,[M+H]+,30.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519364,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21,301.1659,[M+H]+,20.0,test,CC(C)n1cnnc1CNC(=O)C1CCOc2ccccc21
519365,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C,301.1659,[M+H]+,20.0,test,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C
519366,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C,301.1659,[M+H]+,20.0,test,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C
519367,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C,301.1659,[M+H]+,60.0,test,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C
519368,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C,301.1659,[M+H]+,20.0,test,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C
519369,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C,301.1659,[M+H]+,45.0,test,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C
519370,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C,301.1659,[M+H]+,60.0,test,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C
519371,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C,301.1659,[M+H]+,20.0,test,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C
519372,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C,301.1659,[M+H]+,45.0,test,Cc1nc2ccccc2n1CC(=O)N1CC(=O)NCC1(C)C
519373,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,20.0,test,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
519374,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,20.0,test,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
519375,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,60.0,test,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
519376,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,20.0,test,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
519377,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,45.0,test,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
519378,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,60.0,test,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
519379,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,20.0,test,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
519380,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,45.0,test,CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
519381,CCOc1ncc(C(=O)N2CC(Cn3ccnc3C)C2)cc1,301.1659,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519382,CCOc1ncc(C(=O)N2CC(Cn3ccnc3C)C2)cc1,301.1659,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519383,CCOc1ncc(C(=O)N2CC(Cn3ccnc3C)C2)cc1,301.1659,[M+H]+,30.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519384,CCOc1ncc(C(=O)N2CC(Cn3ccnc3C)C2)cc1,301.1659,[M+H]+,60.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519385,CCOc1ncc(C(=O)N2CC(Cn3ccnc3C)C2)cc1,301.1659,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519386,CCOc1ncc(C(=O)N2CC(Cn3ccnc3C)C2)cc1,301.1659,[M+H]+,45.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519387,CCOc1ncc(C(=O)N2CC(Cn3ccnc3C)C2)cc1,301.1659,[M+H]+,60.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519388,CCOc1ncc(C(=O)N2CC(Cn3ccnc3C)C2)cc1,301.1659,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519389,O=C(NC1CCN(c2n[nH]c(C3CC3)c2)CC1)c1ccco1,301.1659,[M+H]+,20.0,test,O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccco1
519390,O=C(NC1CCN(c2n[nH]c(C3CC3)c2)CC1)c1ccco1,301.1659,[M+H]+,20.0,test,O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccco1
519391,O=C(NC1CCN(c2n[nH]c(C3CC3)c2)CC1)c1ccco1,301.1659,[M+H]+,60.0,test,O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccco1
519392,O=C(NC1CCN(c2n[nH]c(C3CC3)c2)CC1)c1ccco1,301.1659,[M+H]+,20.0,test,O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccco1
519393,O=C(NC1CCN(c2n[nH]c(C3CC3)c2)CC1)c1ccco1,301.1659,[M+H]+,45.0,test,O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccco1
519394,COc1ccc(CC(=O)NCc2nc(N(C)C)ncc2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519395,COc1ccc(CC(=O)NCc2nc(N(C)C)ncc2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519396,COc1ccc(CC(=O)NCc2nc(N(C)C)ncc2)cc1,301.1659,[M+H]+,60.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519397,COc1ccc(CC(=O)NCc2nc(N(C)C)ncc2)cc1,301.1659,[M+H]+,15.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519398,COc1ccc(CC(=O)NCc2nc(N(C)C)ncc2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519399,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519400,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519401,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,30.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519402,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,60.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519403,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519404,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,45.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519405,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,60.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519406,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519407,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,345.15683,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519408,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,345.15683,[M+FA]-,60.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519409,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,345.15683,[M+FA]-,15.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519410,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,345.15683,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519411,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,299.15135,[M-H]-,20.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519412,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,299.15135,[M-H]-,20.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519413,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,299.15135,[M-H]-,60.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519414,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,299.15135,[M-H]-,30.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519415,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,299.15135,[M-H]-,20.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519416,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,299.15135,[M-H]-,30.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519417,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,299.15135,[M-H]-,20.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519418,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,299.15135,[M-H]-,60.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519419,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,299.15135,[M-H]-,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519420,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,299.15135,[M-H]-,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519421,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,299.15135,[M-H]-,45.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519422,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,299.15135,[M-H]-,60.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519423,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,299.15135,[M-H]-,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519424,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,345.15683,[M+FA]-,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519425,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,345.15683,[M+FA]-,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519426,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,345.15683,[M+FA]-,15.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519427,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,345.15683,[M+FA]-,60.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519428,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,345.15683,[M+FA]-,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519429,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,299.15135,[M-H]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519430,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,299.15135,[M-H]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519431,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,299.15135,[M-H]-,60.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519432,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,299.15135,[M-H]-,30.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519433,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,299.15135,[M-H]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519434,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,299.15135,[M-H]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519435,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,299.15135,[M-H]-,30.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519436,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,299.15135,[M-H]-,60.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519437,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,335.12803,[M+Cl]-,15.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519438,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,335.12803,[M+Cl]-,15.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519439,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,335.12803,[M+Cl]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519440,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,335.12803,[M+Cl]-,60.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519441,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,335.12803,[M+Cl]-,15.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519442,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,345.15683,[M+FA]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519443,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,345.15683,[M+FA]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519444,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,345.15683,[M+FA]-,60.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519445,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,345.15683,[M+FA]-,15.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519446,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,345.15683,[M+FA]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519447,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,345.15683,[M+FA]-,20.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519448,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,299.15135,[M-H]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519449,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,299.15135,[M-H]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519450,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,299.15135,[M-H]-,60.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519451,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,299.15135,[M-H]-,15.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519452,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,299.15135,[M-H]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519453,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,299.15135,[M-H]-,15.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519454,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,299.15135,[M-H]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519455,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,299.15135,[M-H]-,60.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519456,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,335.12803,[M+Cl]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519457,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,335.12803,[M+Cl]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519458,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,335.12803,[M+Cl]-,60.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519459,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,335.12803,[M+Cl]-,15.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519460,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,335.12803,[M+Cl]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519461,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,345.15683,[M+FA]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519462,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,345.15683,[M+FA]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519463,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,345.15683,[M+FA]-,60.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519464,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,345.15683,[M+FA]-,15.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519465,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,345.15683,[M+FA]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519466,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,345.15683,[M+FA]-,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519467,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,345.15683,[M+FA]-,15.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519468,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,345.15683,[M+FA]-,60.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519469,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,299.15135,[M-H]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519470,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,299.15135,[M-H]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519471,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,299.15135,[M-H]-,60.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519472,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,299.15135,[M-H]-,30.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519473,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,299.15135,[M-H]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519474,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,299.15135,[M-H]-,30.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519475,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,299.15135,[M-H]-,60.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519476,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,299.15135,[M-H]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519477,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,335.12803,[M+Cl]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519478,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,335.12803,[M+Cl]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519479,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,335.12803,[M+Cl]-,60.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519480,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,335.12803,[M+Cl]-,15.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519481,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,335.12803,[M+Cl]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519482,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,335.12803,[M+Cl]-,15.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519483,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,335.12803,[M+Cl]-,60.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519484,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,335.12803,[M+Cl]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519485,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,345.15683,[M+FA]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519486,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,345.15683,[M+FA]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519487,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,345.15683,[M+FA]-,60.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519488,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,345.15683,[M+FA]-,15.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519489,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,345.15683,[M+FA]-,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519490,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21,301.1659,[M+H]+,20.0,test,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21
519491,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21,301.1659,[M+H]+,20.0,test,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21
519492,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21,301.1659,[M+H]+,45.0,test,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21
519493,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21,301.1659,[M+H]+,60.0,test,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21
519494,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21,301.1659,[M+H]+,20.0,test,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21
519495,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21,301.1659,[M+H]+,45.0,test,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21
519496,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21,301.1659,[M+H]+,60.0,test,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21
519497,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21,301.1659,[M+H]+,20.0,test,CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2ccccc21
519498,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1,301.1659,[M+H]+,20.0,test,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1
519499,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1,301.1659,[M+H]+,20.0,test,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1
519500,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1,301.1659,[M+H]+,60.0,test,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1
519501,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1,301.1659,[M+H]+,30.0,test,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1
519502,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1,301.1659,[M+H]+,20.0,test,CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1
519503,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,301.1659,[M+H]+,20.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519504,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,301.1659,[M+H]+,20.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519505,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,301.1659,[M+H]+,60.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519506,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,301.1659,[M+H]+,30.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519507,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,301.1659,[M+H]+,20.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519508,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,301.1659,[M+H]+,20.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519509,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,301.1659,[M+H]+,30.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519510,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1,301.1659,[M+H]+,60.0,test,O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1
519511,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1,301.1659,[M+H]+,20.0,test,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1
519512,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1,301.1659,[M+H]+,20.0,test,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1
519513,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1,301.1659,[M+H]+,30.0,test,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1
519514,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1,301.1659,[M+H]+,60.0,test,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1
519515,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1,301.1659,[M+H]+,15.0,test,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1
519516,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1,301.1659,[M+H]+,20.0,test,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1
519517,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1,301.1659,[M+H]+,60.0,test,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1
519518,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1,301.1659,[M+H]+,20.0,test,Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1
519519,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1,301.1659,[M+H]+,20.0,test,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1
519520,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1,301.1659,[M+H]+,20.0,test,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1
519521,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1,301.1659,[M+H]+,60.0,test,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1
519522,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1,301.1659,[M+H]+,15.0,test,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1
519523,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1,301.1659,[M+H]+,20.0,test,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1
519524,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1,301.1659,[M+H]+,45.0,test,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1
519525,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1,301.1659,[M+H]+,60.0,test,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1
519526,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1,301.1659,[M+H]+,20.0,test,COc1ccccc1CCC(=O)N1CCn2c(C)nnc2C1
519527,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1,301.1659,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1
519528,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1,301.1659,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1
519529,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1,301.1659,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1
519530,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1,301.1659,[M+H]+,30.0,test,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1
519531,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1,301.1659,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1
519532,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1,301.1659,[M+H]+,30.0,test,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1
519533,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1,301.1659,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1
519534,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1,301.1659,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1
519535,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519536,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519537,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,60.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519538,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,30.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519539,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519540,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,60.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519541,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,30.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519542,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,20.0,test,CCOc1ncccc1CNC(=O)c1n[nH]c2c1CCCC2
519543,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O,301.1659,[M+H]+,20.0,test,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O
519544,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O,301.1659,[M+H]+,20.0,test,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O
519545,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O,301.1659,[M+H]+,60.0,test,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O
519546,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O,301.1659,[M+H]+,15.0,test,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O
519547,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O,301.1659,[M+H]+,20.0,test,Cn1ccnc(N2CCCC(COc3ccncc3)C2)c1=O
519548,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C,301.1659,[M+H]+,20.0,test,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C
519549,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C,301.1659,[M+H]+,20.0,test,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C
519550,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C,301.1659,[M+H]+,60.0,test,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C
519551,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C,301.1659,[M+H]+,30.0,test,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C
519552,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C,301.1659,[M+H]+,20.0,test,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C
519553,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C,301.1659,[M+H]+,30.0,test,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C
519554,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C,301.1659,[M+H]+,60.0,test,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C
519555,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C,301.1659,[M+H]+,20.0,test,CCn1nc(C)c(/C=N/NC(=O)c2cccc(OC)c2)c1C
519556,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519557,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519558,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,45.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519559,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,60.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519560,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1,301.1659,[M+H]+,20.0,test,COc1cccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1
519561,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519562,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519563,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1,301.1659,[M+H]+,30.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519564,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1,301.1659,[M+H]+,60.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519565,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519566,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1,301.1659,[M+H]+,45.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519567,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1,301.1659,[M+H]+,60.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519568,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(CC(=O)NCc2ccnc(N(C)C)n2)cc1
519569,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,20.0,test,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2
519570,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,20.0,test,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2
519571,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,60.0,test,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2
519572,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,30.0,test,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2
519573,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,20.0,test,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2
519574,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,60.0,test,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2
519575,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,20.0,test,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2
519576,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2,301.1659,[M+H]+,30.0,test,COc1ncccc1CN(C)C(=O)c1n[nH]c2c1CCCC2
519577,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519578,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519579,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,301.1659,[M+H]+,60.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519580,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,301.1659,[M+H]+,30.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519581,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1,301.1659,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
519582,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1,301.1659,[M+H]+,20.0,test,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1
519583,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1,301.1659,[M+H]+,20.0,test,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1
519584,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1,301.1659,[M+H]+,60.0,test,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1
519585,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1,301.1659,[M+H]+,15.0,test,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1
519586,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1,301.1659,[M+H]+,20.0,test,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1
519587,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1,301.1659,[M+H]+,60.0,test,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1
519588,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1,301.1659,[M+H]+,20.0,test,Cc1cc(OC2CCN(C(=O)Cn3cccc3)C2)nc(C)n1
519589,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1,301.1659,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1
519590,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1,301.1659,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1
519591,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1,301.1659,[M+H]+,60.0,test,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1
519592,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1,301.1659,[M+H]+,30.0,test,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1
519593,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1,301.1659,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1
519594,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1,301.1659,[M+H]+,30.0,test,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1
519595,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1,301.1659,[M+H]+,60.0,test,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1
519596,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1,301.1659,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1
519597,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C,301.1659,[M+H]+,20.0,test,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C
519598,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C,301.1659,[M+H]+,20.0,test,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C
519599,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C,301.1659,[M+H]+,60.0,test,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C
519600,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C,301.1659,[M+H]+,30.0,test,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C
519601,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C,301.1659,[M+H]+,20.0,test,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C
519602,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C,301.1659,[M+H]+,30.0,test,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C
519603,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C,301.1659,[M+H]+,60.0,test,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C
519604,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C,301.1659,[M+H]+,20.0,test,CCn1ncc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C
519605,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,20.0,test,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1
519606,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,20.0,test,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1
519607,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,45.0,test,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1
519608,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,60.0,test,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1
519609,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,20.0,test,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1
519610,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,60.0,test,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1
519611,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,20.0,test,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1
519612,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1,301.1659,[M+H]+,45.0,test,Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1
519613,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,301.1659,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519614,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,301.1659,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519615,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,301.1659,[M+H]+,60.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519616,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,301.1659,[M+H]+,15.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519617,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,301.1659,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519618,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,323.14784,[M+Na]+,20.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519619,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,323.14784,[M+Na]+,60.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519620,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,323.14784,[M+Na]+,20.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519621,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1,323.14784,[M+Na]+,20.0,test,Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1
519622,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2,301.1659,[M+H]+,20.0,test,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2
519623,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2,301.1659,[M+H]+,20.0,test,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2
519624,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2,301.1659,[M+H]+,60.0,test,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2
519625,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2,301.1659,[M+H]+,30.0,test,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2
519626,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2,301.1659,[M+H]+,20.0,test,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2
519627,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2,301.1659,[M+H]+,30.0,test,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2
519628,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2,301.1659,[M+H]+,20.0,test,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2
519629,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2,301.1659,[M+H]+,60.0,test,Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2
519630,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1,301.1659,[M+H]+,45.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519631,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1,301.1659,[M+H]+,45.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519632,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1,301.1659,[M+H]+,45.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519633,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1,301.1659,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519634,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1,301.1659,[M+H]+,60.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519635,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1,301.1659,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519636,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1,301.1659,[M+H]+,45.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519637,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1,301.1659,[M+H]+,60.0,test,CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1
519638,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1,301.1659,[M+H]+,20.0,test,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1
519639,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1,301.1659,[M+H]+,20.0,test,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1
519640,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1,301.1659,[M+H]+,45.0,test,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1
519641,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1,301.1659,[M+H]+,60.0,test,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1
519642,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1,301.1659,[M+H]+,20.0,test,O=C(Cn1cccc1)NC1CCC(Oc2ncccn2)CC1
519643,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C,301.1659,[M+H]+,20.0,test,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C
519644,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C,301.1659,[M+H]+,20.0,test,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C
519645,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C,301.1659,[M+H]+,60.0,test,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C
519646,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C,301.1659,[M+H]+,15.0,test,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C
519647,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C,301.1659,[M+H]+,20.0,test,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C
519648,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C,301.1659,[M+H]+,20.0,test,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C
519649,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C,301.1659,[M+H]+,60.0,test,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C
519650,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C,301.1659,[M+H]+,15.0,test,Cc1nn2c3ccccc3n(C)c2c1C(=O)OCCN(C)C
519651,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,301.1659,[M+H]+,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519652,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,301.1659,[M+H]+,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519653,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,301.1659,[M+H]+,60.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519654,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,301.1659,[M+H]+,30.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519655,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1,301.1659,[M+H]+,20.0,test,CC(=O)c1cccc(NC(=O)CC(C)n2nc(C)nc2C)c1
519656,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,301.1659,[M+H]+,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519657,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,301.1659,[M+H]+,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519658,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,301.1659,[M+H]+,30.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519659,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,301.1659,[M+H]+,60.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519660,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,301.1659,[M+H]+,15.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519661,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,301.1659,[M+H]+,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519662,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,301.1659,[M+H]+,20.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519663,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1,301.1659,[M+H]+,60.0,test,O=C(Nc1ccccc1)Nc1cnn(CC2CCOCC2)c1
519664,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,301.1659,[M+H]+,20.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519665,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,301.1659,[M+H]+,20.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519666,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,301.1659,[M+H]+,60.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519667,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,301.1659,[M+H]+,30.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519668,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1,301.1659,[M+H]+,20.0,test,O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1
519669,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,301.1659,[M+H]+,20.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519670,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,301.1659,[M+H]+,20.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519671,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,301.1659,[M+H]+,45.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519672,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,301.1659,[M+H]+,60.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519673,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,301.1659,[M+H]+,20.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519674,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,301.1659,[M+H]+,45.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519675,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,301.1659,[M+H]+,60.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519676,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,301.1659,[M+H]+,20.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519677,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,323.14784,[M+Na]+,20.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519678,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,323.14784,[M+Na]+,45.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519679,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,323.14784,[M+Na]+,60.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519680,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1,323.14784,[M+Na]+,20.0,test,CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1
519681,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1,317.14306,[M+H]+,20.0,test,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1
519682,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1,317.14306,[M+H]+,20.0,test,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1
519683,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1,317.14306,[M+H]+,30.0,test,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1
519684,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1,317.14306,[M+H]+,60.0,test,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1
519685,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1,317.14306,[M+H]+,20.0,test,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1
519686,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1,317.14306,[M+H]+,45.0,test,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1
519687,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1,317.14306,[M+H]+,60.0,test,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1
519688,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1,317.14306,[M+H]+,20.0,test,CCN1CCC(NC(=O)c2cnc(-c3ccccn3)s2)CC1
519689,Cc1nc(NC(=O)C2CCCN(Cc3cscn3)C2)ccc1,317.14306,[M+H]+,20.0,test,Cc1cccc(NC(=O)C2CCCN(Cc3cscn3)C2)n1
519690,Cc1nc(NC(=O)C2CCCN(Cc3cscn3)C2)ccc1,317.14306,[M+H]+,20.0,test,Cc1cccc(NC(=O)C2CCCN(Cc3cscn3)C2)n1
519691,Cc1nc(NC(=O)C2CCCN(Cc3cscn3)C2)ccc1,317.14306,[M+H]+,60.0,test,Cc1cccc(NC(=O)C2CCCN(Cc3cscn3)C2)n1
519692,Cc1nc(NC(=O)C2CCCN(Cc3cscn3)C2)ccc1,317.14306,[M+H]+,30.0,test,Cc1cccc(NC(=O)C2CCCN(Cc3cscn3)C2)n1
519693,Cc1nc(NC(=O)C2CCCN(Cc3cscn3)C2)ccc1,317.14306,[M+H]+,20.0,test,Cc1cccc(NC(=O)C2CCCN(Cc3cscn3)C2)n1
519694,Cc1nc(NC(=O)C2CCCN(Cc3cscn3)C2)ccc1,317.14306,[M+H]+,60.0,test,Cc1cccc(NC(=O)C2CCCN(Cc3cscn3)C2)n1
519695,Cc1nc(NC(=O)C2CCCN(Cc3cscn3)C2)ccc1,317.14306,[M+H]+,30.0,test,Cc1cccc(NC(=O)C2CCCN(Cc3cscn3)C2)n1
519696,Cc1nc(NC(=O)C2CCCN(Cc3cscn3)C2)ccc1,317.14306,[M+H]+,20.0,test,Cc1cccc(NC(=O)C2CCCN(Cc3cscn3)C2)n1
519697,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1,317.14306,[M+H]+,20.0,test,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1
519698,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1,317.14306,[M+H]+,20.0,test,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1
519699,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1,317.14306,[M+H]+,60.0,test,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1
519700,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1,317.14306,[M+H]+,20.0,test,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1
519701,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1,317.14306,[M+H]+,45.0,test,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1
519702,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1,317.14306,[M+H]+,60.0,test,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1
519703,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1,317.14306,[M+H]+,20.0,test,CCc1nc(N2CCN3C(=O)CCC3C2)c2scc(C)c2n1
519704,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,317.14306,[M+H]+,20.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519705,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,317.14306,[M+H]+,20.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519706,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,317.14306,[M+H]+,60.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519707,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,317.14306,[M+H]+,30.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519708,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,317.14306,[M+H]+,20.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519709,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,317.14306,[M+H]+,60.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519710,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,317.14306,[M+H]+,30.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519711,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,317.14306,[M+H]+,20.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519712,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,339.125,[M+Na]+,45.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519713,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,339.125,[M+Na]+,45.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519714,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,339.125,[M+Na]+,60.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519715,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,339.125,[M+Na]+,20.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519716,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O,339.125,[M+Na]+,45.0,test,CN1CCC(N(C)Cc2csc(Nc3ccccc3)n2)C1=O
519717,O=C(CN1CCC(Cc2cnccc2)CC1)Nc1nccs1,317.14306,[M+H]+,20.0,test,O=C(CN1CCC(Cc2cccnc2)CC1)Nc1nccs1
519718,O=C(CN1CCC(Cc2cnccc2)CC1)Nc1nccs1,317.14306,[M+H]+,20.0,test,O=C(CN1CCC(Cc2cccnc2)CC1)Nc1nccs1
519719,O=C(CN1CCC(Cc2cnccc2)CC1)Nc1nccs1,317.14306,[M+H]+,60.0,test,O=C(CN1CCC(Cc2cccnc2)CC1)Nc1nccs1
519720,O=C(CN1CCC(Cc2cnccc2)CC1)Nc1nccs1,317.14306,[M+H]+,30.0,test,O=C(CN1CCC(Cc2cccnc2)CC1)Nc1nccs1
519721,O=C(CN1CCC(Cc2cnccc2)CC1)Nc1nccs1,317.14306,[M+H]+,20.0,test,O=C(CN1CCC(Cc2cccnc2)CC1)Nc1nccs1
519722,O=C(CN1CCC(Cc2cnccc2)CC1)Nc1nccs1,317.14306,[M+H]+,60.0,test,O=C(CN1CCC(Cc2cccnc2)CC1)Nc1nccs1
519723,O=C(CN1CCC(Cc2cnccc2)CC1)Nc1nccs1,317.14306,[M+H]+,30.0,test,O=C(CN1CCC(Cc2cccnc2)CC1)Nc1nccs1
519724,O=C(CN1CCC(Cc2cnccc2)CC1)Nc1nccs1,317.14306,[M+H]+,20.0,test,O=C(CN1CCC(Cc2cccnc2)CC1)Nc1nccs1
519725,CN(C)c1ncc2CC(NC(=O)Cc3cccs3)CCc2n1,317.14306,[M+H]+,20.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519726,CN(C)c1ncc2CC(NC(=O)Cc3cccs3)CCc2n1,317.14306,[M+H]+,20.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519727,CN(C)c1ncc2CC(NC(=O)Cc3cccs3)CCc2n1,317.14306,[M+H]+,60.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519728,CN(C)c1ncc2CC(NC(=O)Cc3cccs3)CCc2n1,317.14306,[M+H]+,20.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519729,CN(C)c1ncc2CC(NC(=O)Cc3cccs3)CCc2n1,317.14306,[M+H]+,45.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519730,CN(C)c1ncc2CC(NC(=O)Cc3cccs3)CCc2n1,317.14306,[M+H]+,60.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519731,CN(C)c1ncc2CC(NC(=O)Cc3cccs3)CCc2n1,317.14306,[M+H]+,20.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519732,CN(C)c1ncc2CC(NC(=O)Cc3cccs3)CCc2n1,317.14306,[M+H]+,45.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519733,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,315.12851,[M-H]-,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519734,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,315.12851,[M-H]-,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519735,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,315.12851,[M-H]-,45.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519736,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,315.12851,[M-H]-,60.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519737,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,315.12851,[M-H]-,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519738,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,361.13398,[M+FA]-,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519739,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,361.13398,[M+FA]-,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519740,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,361.13398,[M+FA]-,60.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519741,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,361.13398,[M+FA]-,15.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519742,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,361.13398,[M+FA]-,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519743,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,361.13398,[M+FA]-,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519744,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,361.13398,[M+FA]-,15.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519745,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,361.13398,[M+FA]-,60.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519746,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,315.12851,[M-H]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519747,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,315.12851,[M-H]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519748,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,315.12851,[M-H]-,60.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519749,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,315.12851,[M-H]-,30.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519750,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,315.12851,[M-H]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519751,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,315.12851,[M-H]-,60.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519752,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,315.12851,[M-H]-,30.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519753,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,315.12851,[M-H]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519754,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,351.10518,[M+Cl]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519755,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,351.10518,[M+Cl]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519756,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,351.10518,[M+Cl]-,60.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519757,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,351.10518,[M+Cl]-,15.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519758,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,351.10518,[M+Cl]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519759,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,361.13398,[M+FA]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519760,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,361.13398,[M+FA]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519761,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,361.13398,[M+FA]-,60.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519762,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,361.13398,[M+FA]-,30.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519763,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,361.13398,[M+FA]-,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519764,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,315.12851,[M-H]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519765,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,315.12851,[M-H]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519766,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,315.12851,[M-H]-,60.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519767,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,315.12851,[M-H]-,30.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519768,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,315.12851,[M-H]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519769,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,315.12851,[M-H]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519770,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,315.12851,[M-H]-,30.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519771,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,315.12851,[M-H]-,60.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519772,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,351.10518,[M+Cl]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519773,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,351.10518,[M+Cl]-,15.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519774,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,351.10518,[M+Cl]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519775,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,361.13398,[M+FA]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519776,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,361.13398,[M+FA]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519777,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,361.13398,[M+FA]-,60.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519778,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,361.13398,[M+FA]-,15.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519779,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,361.13398,[M+FA]-,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519780,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1,317.14306,[M+H]+,20.0,test,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1
519781,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1,317.14306,[M+H]+,20.0,test,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1
519782,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1,317.14306,[M+H]+,60.0,test,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1
519783,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1,317.14306,[M+H]+,30.0,test,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1
519784,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1,317.14306,[M+H]+,20.0,test,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1
519785,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1,317.14306,[M+H]+,30.0,test,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1
519786,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1,317.14306,[M+H]+,60.0,test,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1
519787,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1,317.14306,[M+H]+,20.0,test,O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1
519788,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1,317.14306,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1
519789,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1,317.14306,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1
519790,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1,317.14306,[M+H]+,60.0,test,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1
519791,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1,317.14306,[M+H]+,30.0,test,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1
519792,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1,317.14306,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1
519793,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1,317.14306,[M+H]+,60.0,test,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1
519794,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1,317.14306,[M+H]+,30.0,test,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1
519795,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1,317.14306,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccccn2)CC1)c1cccs1
519796,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1,317.14306,[M+H]+,20.0,test,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1
519797,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1,317.14306,[M+H]+,20.0,test,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1
519798,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1,317.14306,[M+H]+,45.0,test,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1
519799,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1,317.14306,[M+H]+,60.0,test,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1
519800,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1,317.14306,[M+H]+,20.0,test,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1
519801,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1,317.14306,[M+H]+,60.0,test,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1
519802,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1,317.14306,[M+H]+,45.0,test,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1
519803,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1,317.14306,[M+H]+,20.0,test,O=C1NCCCC1N1CCN(c2nsc3ccccc23)CC1
519804,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12,317.14306,[M+H]+,20.0,test,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12
519805,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12,317.14306,[M+H]+,20.0,test,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12
519806,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12,317.14306,[M+H]+,30.0,test,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12
519807,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12,317.14306,[M+H]+,60.0,test,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12
519808,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12,317.14306,[M+H]+,20.0,test,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12
519809,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12,317.14306,[M+H]+,45.0,test,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12
519810,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12,317.14306,[M+H]+,60.0,test,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12
519811,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12,317.14306,[M+H]+,20.0,test,CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12
519812,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,317.14306,[M+H]+,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519813,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,317.14306,[M+H]+,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519814,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,317.14306,[M+H]+,45.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519815,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,317.14306,[M+H]+,60.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519816,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,317.14306,[M+H]+,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519817,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,317.14306,[M+H]+,20.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519818,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,317.14306,[M+H]+,45.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519819,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,317.14306,[M+H]+,60.0,test,COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12
519820,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1,317.14306,[M+H]+,20.0,test,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1
519821,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1,317.14306,[M+H]+,20.0,test,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1
519822,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1,317.14306,[M+H]+,30.0,test,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1
519823,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1,317.14306,[M+H]+,60.0,test,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1
519824,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1,317.14306,[M+H]+,15.0,test,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1
519825,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1,317.14306,[M+H]+,20.0,test,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1
519826,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1,317.14306,[M+H]+,20.0,test,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1
519827,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1,317.14306,[M+H]+,60.0,test,CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1
519828,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,317.14306,[M+H]+,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519829,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,317.14306,[M+H]+,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519830,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,317.14306,[M+H]+,60.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519831,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,317.14306,[M+H]+,30.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519832,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,317.14306,[M+H]+,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519833,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,317.14306,[M+H]+,60.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519834,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,317.14306,[M+H]+,30.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519835,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1,317.14306,[M+H]+,20.0,test,O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1
519836,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1,317.14306,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
519837,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1,317.14306,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
519838,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1,317.14306,[M+H]+,45.0,test,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
519839,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1,317.14306,[M+H]+,60.0,test,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
519840,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1,317.14306,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
519841,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1,317.14306,[M+H]+,45.0,test,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
519842,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1,317.14306,[M+H]+,60.0,test,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
519843,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1,317.14306,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
519844,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,317.14306,[M+H]+,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519845,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,317.14306,[M+H]+,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519846,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,317.14306,[M+H]+,45.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519847,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,317.14306,[M+H]+,60.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519848,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,317.14306,[M+H]+,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519849,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,317.14306,[M+H]+,45.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519850,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,317.14306,[M+H]+,60.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519851,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1,317.14306,[M+H]+,20.0,test,Cc1csc(C(=O)N2CCC(Nc3cc(C)ncn3)CC2)c1
519852,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1,317.14306,[M+H]+,20.0,test,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1
519853,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1,317.14306,[M+H]+,20.0,test,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1
519854,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1,317.14306,[M+H]+,60.0,test,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1
519855,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1,317.14306,[M+H]+,30.0,test,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1
519856,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1,317.14306,[M+H]+,20.0,test,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1
519857,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1,317.14306,[M+H]+,30.0,test,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1
519858,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1,317.14306,[M+H]+,60.0,test,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1
519859,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1,317.14306,[M+H]+,20.0,test,N#Cc1ccnc(N2CCCC(C(=O)N3CCSCC3)C2)c1
519860,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2,317.14306,[M+H]+,20.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519861,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2,317.14306,[M+H]+,20.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519862,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2,317.14306,[M+H]+,45.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519863,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2,317.14306,[M+H]+,60.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519864,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2,317.14306,[M+H]+,20.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519865,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2,317.14306,[M+H]+,45.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519866,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2,317.14306,[M+H]+,20.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519867,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2,317.14306,[M+H]+,60.0,test,CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1cccs1)C2
519868,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1,337.12482,[M+H]+,20.0,test,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1
519869,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1,337.12482,[M+H]+,20.0,test,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1
519870,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1,337.12482,[M+H]+,60.0,test,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1
519871,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1,337.12482,[M+H]+,30.0,test,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1
519872,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1,337.12482,[M+H]+,20.0,test,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1
519873,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1,337.12482,[M+H]+,60.0,test,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1
519874,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1,337.12482,[M+H]+,30.0,test,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1
519875,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1,337.12482,[M+H]+,20.0,test,Cc1nc(C)c(CN2C3CCC2CC(n2cc(Cl)cn2)C3)s1
519876,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,318.12817,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519877,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,318.12817,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519878,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,318.12817,[M-H]-,60.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519879,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,318.12817,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519880,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,318.12817,[M-H]-,45.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519881,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,318.12817,[M-H]-,20.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519882,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,318.12817,[M-H]-,20.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519883,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,318.12817,[M-H]-,60.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519884,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,318.12817,[M-H]-,30.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519885,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,318.12817,[M-H]-,20.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519886,CC1OCCN(Cc2nc3c(c4c(CCC4)s3)c(=O)[nH]2)C1C,320.14272,[M+H]+,20.0,test,CC1OCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1C
519887,CC1OCCN(Cc2nc3c(c4c(CCC4)s3)c(=O)[nH]2)C1C,320.14272,[M+H]+,20.0,test,CC1OCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1C
519888,CC1OCCN(Cc2nc3c(c4c(CCC4)s3)c(=O)[nH]2)C1C,320.14272,[M+H]+,60.0,test,CC1OCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1C
519889,CC1OCCN(Cc2nc3c(c4c(CCC4)s3)c(=O)[nH]2)C1C,320.14272,[M+H]+,20.0,test,CC1OCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1C
519890,CC1OCCN(Cc2nc3c(c4c(CCC4)s3)c(=O)[nH]2)C1C,320.14272,[M+H]+,45.0,test,CC1OCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1C
519891,CC1OCCN(Cc2nc3c(c4c(CCC4)s3)c(=O)[nH]2)C1C,320.14272,[M+H]+,60.0,test,CC1OCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1C
519892,CC1OCCN(Cc2nc3c(c4c(CCC4)s3)c(=O)[nH]2)C1C,320.14272,[M+H]+,20.0,test,CC1OCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1C
519893,CC1OCCN(Cc2nc3c(c4c(CCC4)s3)c(=O)[nH]2)C1C,320.14272,[M+H]+,45.0,test,CC1OCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1C
519894,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,320.14272,[M+H]+,20.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519895,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,320.14272,[M+H]+,20.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519896,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,320.14272,[M+H]+,60.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519897,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,320.14272,[M+H]+,30.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519898,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,320.14272,[M+H]+,20.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519899,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,320.14272,[M+H]+,60.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519900,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,320.14272,[M+H]+,30.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519901,COCCN1CCCC(NC(=O)c2cc3c(cncc3)s2)C1,320.14272,[M+H]+,20.0,test,COCCN1CCCC(NC(=O)c2cc3ccncc3s2)C1
519902,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1,320.14272,[M+H]+,20.0,test,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1
519903,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1,320.14272,[M+H]+,20.0,test,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1
519904,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1,320.14272,[M+H]+,60.0,test,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1
519905,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1,320.14272,[M+H]+,30.0,test,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1
519906,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1,320.14272,[M+H]+,20.0,test,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1
519907,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1,320.14272,[M+H]+,60.0,test,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1
519908,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1,320.14272,[M+H]+,30.0,test,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1
519909,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1,320.14272,[M+H]+,20.0,test,CC(c1nc2ccccc2s1)N1CCN(CCC(=O)O)CC1
519910,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,320.14272,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519911,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,320.14272,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519912,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,320.14272,[M+H]+,60.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519913,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,320.14272,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519914,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,320.14272,[M+H]+,45.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519915,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,320.14272,[M+H]+,60.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519916,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,320.14272,[M+H]+,20.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519917,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N,320.14272,[M+H]+,45.0,test,Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)cnc1N
519918,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,20.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519919,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,20.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519920,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,60.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519921,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,30.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519922,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,20.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519923,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,60.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519924,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,30.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519925,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,20.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519926,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,20.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519927,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,20.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519928,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,60.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519929,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,30.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519930,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,20.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519931,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,60.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519932,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,30.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519933,CC1CCCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2)C1,320.14272,[M+H]+,20.0,test,CC1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1
519934,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12,320.14272,[M+H]+,20.0,test,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12
519935,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12,320.14272,[M+H]+,20.0,test,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12
519936,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12,320.14272,[M+H]+,60.0,test,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12
519937,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12,320.14272,[M+H]+,20.0,test,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12
519938,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12,320.14272,[M+H]+,45.0,test,Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12
519939,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519940,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519941,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519942,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519943,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,318.12817,[M-H]-,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519944,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,318.12817,[M-H]-,30.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519945,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519946,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,318.12817,[M-H]-,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519947,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,318.12817,[M-H]-,30.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519948,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519949,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,364.13365,[M+FA]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519950,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,364.13365,[M+FA]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519951,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,364.13365,[M+FA]-,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519952,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,364.13365,[M+FA]-,15.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519953,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,364.13365,[M+FA]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519954,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,20.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
519955,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,20.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
519956,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,60.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
519957,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,30.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
519958,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,20.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
519959,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,60.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
519960,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,30.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
519961,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,20.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
519962,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
519963,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
519964,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,60.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
519965,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,30.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
519966,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
519967,COc1cc(OC)c(CNCCCSc2ncccn2)cc1,320.14272,[M+H]+,20.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
519968,COc1cc(OC)c(CNCCCSc2ncccn2)cc1,320.14272,[M+H]+,20.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
519969,COc1cc(OC)c(CNCCCSc2ncccn2)cc1,320.14272,[M+H]+,60.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
519970,COc1cc(OC)c(CNCCCSc2ncccn2)cc1,320.14272,[M+H]+,15.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
519971,COc1cc(OC)c(CNCCCSc2ncccn2)cc1,320.14272,[M+H]+,20.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
519972,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519973,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519974,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,320.14272,[M+H]+,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519975,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519976,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,320.14272,[M+H]+,45.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519977,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,320.14272,[M+H]+,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519978,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519979,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(C2)[nH]cn3)cc1,320.14272,[M+H]+,45.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519980,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519981,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519982,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,60.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519983,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,30.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519984,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519985,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,60.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519986,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,30.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519987,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
519988,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519989,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519990,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,318.12817,[M-H]-,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519991,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,318.12817,[M-H]-,30.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519992,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519993,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,364.13365,[M+FA]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519994,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,364.13365,[M+FA]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519995,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,364.13365,[M+FA]-,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519996,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,364.13365,[M+FA]-,15.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519997,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,364.13365,[M+FA]-,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
519998,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
519999,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520000,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,60.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520001,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,30.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520002,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,20.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520003,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,318.12817,[M-H]-,20.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520004,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,318.12817,[M-H]-,20.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520005,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,318.12817,[M-H]-,45.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520006,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,318.12817,[M-H]-,60.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520007,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,318.12817,[M-H]-,20.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520008,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,318.12817,[M-H]-,20.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520009,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,318.12817,[M-H]-,20.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520010,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,318.12817,[M-H]-,60.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520011,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,318.12817,[M-H]-,30.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520012,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,318.12817,[M-H]-,20.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520013,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,318.12817,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520014,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,318.12817,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520015,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,318.12817,[M-H]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520016,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,318.12817,[M-H]-,30.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520017,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,318.12817,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520018,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,318.12817,[M-H]-,30.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520019,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,318.12817,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520020,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,318.12817,[M-H]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520021,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,364.13365,[M+FA]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520022,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,364.13365,[M+FA]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520023,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,364.13365,[M+FA]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520024,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,364.13365,[M+FA]-,15.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520025,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,364.13365,[M+FA]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520026,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520027,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520028,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,60.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520029,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,15.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520030,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,318.12817,[M-H]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520031,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,364.13365,[M+FA]-,20.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520032,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,364.13365,[M+FA]-,20.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520033,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,364.13365,[M+FA]-,60.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520034,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,364.13365,[M+FA]-,30.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520035,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,364.13365,[M+FA]-,20.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520036,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,318.12817,[M-H]-,20.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520037,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,318.12817,[M-H]-,20.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520038,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,318.12817,[M-H]-,60.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520039,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,318.12817,[M-H]-,15.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520040,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,318.12817,[M-H]-,20.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520041,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,320.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520042,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,320.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520043,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,320.14272,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520044,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,320.14272,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520045,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,320.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520046,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,320.14272,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520047,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,320.14272,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520048,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C,320.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc[nH]c3C2)c1C
520049,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,30.0,test,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1
520050,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,30.0,test,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1
520051,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,20.0,test,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1
520052,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,60.0,test,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1
520053,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,30.0,test,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1
520054,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,60.0,test,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1
520055,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,20.0,test,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1
520056,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,30.0,test,COc1ccccc1CC(=O)Nc1nnc(CC(C)(C)C)s1
520057,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
520058,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
520059,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,60.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
520060,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,30.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
520061,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
520062,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
520063,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,30.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
520064,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1,320.14272,[M+H]+,60.0,test,CN1CCN(C(=O)CC2CSc3ccccc3NC2=O)CC1
520065,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1,320.14272,[M+H]+,20.0,test,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1
520066,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1,320.14272,[M+H]+,20.0,test,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1
520067,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1,320.14272,[M+H]+,45.0,test,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1
520068,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1,320.14272,[M+H]+,60.0,test,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1
520069,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1,320.14272,[M+H]+,20.0,test,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1
520070,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1,320.14272,[M+H]+,45.0,test,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1
520071,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1,320.14272,[M+H]+,60.0,test,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1
520072,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1,320.14272,[M+H]+,20.0,test,Cc1cnn(CC2CN(S(=O)(=O)CCc3ccccc3)C2)c1
520073,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520074,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520075,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,60.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520076,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,30.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520077,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520078,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,30.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520079,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,60.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520080,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1,320.14272,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1
520081,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,20.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
520082,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,20.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
520083,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,60.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
520084,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,30.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
520085,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,20.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
520086,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,30.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
520087,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,20.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
520088,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1,320.14272,[M+H]+,60.0,test,Cc1nn(CCNC(=O)C2CCOC2)c(C)c1-c1cccs1
520089,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1,320.14272,[M+H]+,20.0,test,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1
520090,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1,320.14272,[M+H]+,20.0,test,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1
520091,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1,320.14272,[M+H]+,60.0,test,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1
520092,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1,320.14272,[M+H]+,30.0,test,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1
520093,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1,320.14272,[M+H]+,20.0,test,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1
520094,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1,320.14272,[M+H]+,30.0,test,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1
520095,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1,320.14272,[M+H]+,20.0,test,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1
520096,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1,320.14272,[M+H]+,60.0,test,CCOCC(=O)NCCn1nc(-c2cccs2)cc1C1CC1
520097,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1,320.14272,[M+H]+,20.0,test,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1
520098,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1,320.14272,[M+H]+,20.0,test,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1
520099,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1,320.14272,[M+H]+,60.0,test,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1
520100,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1,320.14272,[M+H]+,30.0,test,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1
520101,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1,320.14272,[M+H]+,20.0,test,O=C1CN(C2CN(C(=O)CSCc3ccccc3)C2)CCN1
520102,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,320.14272,[M+H]+,20.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520103,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,320.14272,[M+H]+,20.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520104,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,320.14272,[M+H]+,60.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520105,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,320.14272,[M+H]+,15.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520106,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,320.14272,[M+H]+,20.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520107,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,320.14272,[M+H]+,45.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520108,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,320.14272,[M+H]+,60.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520109,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1,320.14272,[M+H]+,20.0,test,CN(C1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)C1CC1
520110,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C,320.14272,[M+H]+,20.0,test,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C
520111,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C,320.14272,[M+H]+,20.0,test,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C
520112,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C,320.14272,[M+H]+,60.0,test,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C
520113,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C,320.14272,[M+H]+,20.0,test,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C
520114,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C,320.14272,[M+H]+,60.0,test,COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C
520115,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC,320.14272,[M+H]+,20.0,test,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC
520116,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC,320.14272,[M+H]+,20.0,test,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC
520117,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC,320.14272,[M+H]+,60.0,test,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC
520118,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC,320.14272,[M+H]+,15.0,test,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC
520119,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC,320.14272,[M+H]+,20.0,test,COc1ccc(CCNCc2cnc(SC)nc2)cc1OC
520120,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O,320.14272,[M+H]+,20.0,test,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O
520121,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O,320.14272,[M+H]+,20.0,test,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O
520122,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O,320.14272,[M+H]+,60.0,test,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O
520123,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O,320.14272,[M+H]+,30.0,test,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O
520124,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O,320.14272,[M+H]+,20.0,test,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O
520125,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O,320.14272,[M+H]+,30.0,test,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O
520126,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O,320.14272,[M+H]+,20.0,test,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O
520127,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O,320.14272,[M+H]+,60.0,test,CCC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O
520128,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
520129,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
520130,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,320.14272,[M+H]+,45.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
520131,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,320.14272,[M+H]+,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
520132,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
520133,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,320.14272,[M+H]+,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
520134,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,320.14272,[M+H]+,45.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
520135,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1
520136,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,320.14272,[M+H]+,20.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520137,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,320.14272,[M+H]+,20.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520138,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,320.14272,[M+H]+,60.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520139,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,320.14272,[M+H]+,30.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520140,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1,320.14272,[M+H]+,20.0,test,CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C#N)CO1
520141,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,320.14272,[M+H]+,20.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520142,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,320.14272,[M+H]+,20.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520143,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,320.14272,[M+H]+,60.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520144,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,320.14272,[M+H]+,30.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520145,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1,320.14272,[M+H]+,20.0,test,CCN(CC)C(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
520146,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1,320.14272,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1
520147,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1,320.14272,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1
520148,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1,320.14272,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1
520149,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1,320.14272,[M+H]+,30.0,test,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1
520150,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1,320.14272,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1
520151,COc1ccc(CNCCCSc2ncccn2)c(OC)c1,320.14272,[M+H]+,20.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
520152,COc1ccc(CNCCCSc2ncccn2)c(OC)c1,320.14272,[M+H]+,20.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
520153,COc1ccc(CNCCCSc2ncccn2)c(OC)c1,320.14272,[M+H]+,60.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
520154,COc1ccc(CNCCCSc2ncccn2)c(OC)c1,320.14272,[M+H]+,15.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
520155,COc1ccc(CNCCCSc2ncccn2)c(OC)c1,320.14272,[M+H]+,20.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
520156,COc1ccc(CNCCCSc2ncccn2)c(OC)c1,320.14272,[M+H]+,60.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
520157,COc1ccc(CNCCCSc2ncccn2)c(OC)c1,320.14272,[M+H]+,15.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
520158,COc1ccc(CNCCCSc2ncccn2)c(OC)c1,320.14272,[M+H]+,20.0,test,COc1ccc(CNCCCSc2ncccn2)c(OC)c1
520159,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,320.14272,[M+H]+,20.0,test,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1
520160,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,320.14272,[M+H]+,20.0,test,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1
520161,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,320.14272,[M+H]+,45.0,test,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1
520162,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,320.14272,[M+H]+,60.0,test,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1
520163,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,320.14272,[M+H]+,20.0,test,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1
520164,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,320.14272,[M+H]+,45.0,test,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1
520165,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,320.14272,[M+H]+,60.0,test,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1
520166,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1,320.14272,[M+H]+,20.0,test,N#Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1
520167,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520168,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520169,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,60.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520170,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,30.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520171,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520172,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520173,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,30.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520174,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,60.0,test,CC(C)(C)NC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
520175,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C,320.14272,[M+H]+,20.0,test,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C
520176,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C,320.14272,[M+H]+,20.0,test,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C
520177,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C,320.14272,[M+H]+,15.0,test,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C
520178,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C,320.14272,[M+H]+,60.0,test,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C
520179,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C,320.14272,[M+H]+,20.0,test,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C
520180,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C,320.14272,[M+H]+,45.0,test,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C
520181,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C,320.14272,[M+H]+,20.0,test,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C
520182,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C,320.14272,[M+H]+,60.0,test,CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C
520183,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520184,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520185,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,60.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520186,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,30.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520187,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1,320.14272,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
520188,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1
520189,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1
520190,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1,320.14272,[M+H]+,30.0,test,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1
520191,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1,320.14272,[M+H]+,60.0,test,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1
520192,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1
520193,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1,320.14272,[M+H]+,45.0,test,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1
520194,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1,320.14272,[M+H]+,60.0,test,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1
520195,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1,320.14272,[M+H]+,20.0,test,CN1CCN(C(CNC(=O)c2ccco2)c2ccsc2)CC1
520196,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,346.13432,[M-H]-,20.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520197,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,346.13432,[M-H]-,20.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520198,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,346.13432,[M-H]-,60.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520199,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,346.13432,[M-H]-,30.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520200,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,346.13432,[M-H]-,20.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520201,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,346.13432,[M-H]-,60.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520202,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,346.13432,[M-H]-,30.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520203,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,346.13432,[M-H]-,20.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520204,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,346.13432,[M-H]-,20.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520205,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,346.13432,[M-H]-,20.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520206,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,346.13432,[M-H]-,60.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520207,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,346.13432,[M-H]-,20.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520208,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,346.13432,[M-H]-,45.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520209,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,346.13432,[M-H]-,20.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520210,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,346.13432,[M-H]-,20.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520211,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,346.13432,[M-H]-,60.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520212,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,346.13432,[M-H]-,30.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520213,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,346.13432,[M-H]-,20.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520214,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,346.13432,[M-H]-,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520215,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,346.13432,[M-H]-,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520216,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,346.13432,[M-H]-,60.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520217,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,346.13432,[M-H]-,30.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520218,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,346.13432,[M-H]-,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520219,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,392.1398,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520220,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,392.1398,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520221,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,392.1398,[M+FA]-,60.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520222,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,392.1398,[M+FA]-,15.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520223,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,392.1398,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520224,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,348.14887,[M+H]+,20.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520225,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,348.14887,[M+H]+,20.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520226,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,348.14887,[M+H]+,60.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520227,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,348.14887,[M+H]+,30.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520228,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,348.14887,[M+H]+,20.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520229,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,348.14887,[M+H]+,60.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520230,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,348.14887,[M+H]+,30.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520231,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2,348.14887,[M+H]+,20.0,test,N#Cc1c(NC(=O)CN2CCC(NC(N)=O)C2)sc2c1CCCC2
520232,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,348.14887,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520233,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,348.14887,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520234,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,348.14887,[M+H]+,60.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520235,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,348.14887,[M+H]+,15.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520236,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,348.14887,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520237,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,348.14887,[M+H]+,60.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520238,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,348.14887,[M+H]+,15.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520239,Cc1nc(N(C)C)c(NC(=O)NCc2nc3c(COCC3)s2)cc1,348.14887,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCc2nc3c(s2)COCC3)c(N(C)C)n1
520240,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,348.14887,[M+H]+,20.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520241,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,348.14887,[M+H]+,20.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520242,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,348.14887,[M+H]+,60.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520243,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,348.14887,[M+H]+,30.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520244,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,348.14887,[M+H]+,20.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520245,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,348.14887,[M+H]+,60.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520246,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,348.14887,[M+H]+,30.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520247,CCCCNc1c(S(=O)(=O)NCCc2c[nH]nc2)ccc(C#N)c1,348.14887,[M+H]+,20.0,test,CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1
520248,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,348.14887,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520249,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,348.14887,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520250,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,348.14887,[M+H]+,60.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520251,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,348.14887,[M+H]+,30.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520252,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,348.14887,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520253,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,348.14887,[M+H]+,60.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520254,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,348.14887,[M+H]+,30.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520255,CC(=O)N1CCN(C(=O)CCNc2c3c(C)csc3ncn2)CC1,348.14887,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)CCNc2ncnc3scc(C)c23)CC1
520256,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1,348.14887,[M+H]+,20.0,test,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1
520257,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1,348.14887,[M+H]+,20.0,test,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1
520258,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1,348.14887,[M+H]+,45.0,test,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1
520259,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1,348.14887,[M+H]+,60.0,test,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1
520260,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1,348.14887,[M+H]+,20.0,test,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1
520261,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1,348.14887,[M+H]+,45.0,test,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1
520262,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1,348.14887,[M+H]+,60.0,test,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1
520263,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1,348.14887,[M+H]+,20.0,test,CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1
520264,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1,348.14887,[M+H]+,20.0,test,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1
520265,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1,348.14887,[M+H]+,20.0,test,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1
520266,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1,348.14887,[M+H]+,60.0,test,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1
520267,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1,348.14887,[M+H]+,30.0,test,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1
520268,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1,348.14887,[M+H]+,20.0,test,Cc1ncsc1C(=O)N1CCCC(Oc2nccnc2N(C)C)C1
520269,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,348.14887,[M+H]+,20.0,test,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
520270,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,348.14887,[M+H]+,20.0,test,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
520271,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,348.14887,[M+H]+,60.0,test,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
520272,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,348.14887,[M+H]+,30.0,test,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
520273,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,348.14887,[M+H]+,20.0,test,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
520274,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,348.14887,[M+H]+,30.0,test,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
520275,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,348.14887,[M+H]+,20.0,test,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
520276,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,348.14887,[M+H]+,60.0,test,CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
520277,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1,348.14887,[M+H]+,20.0,test,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1
520278,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1,348.14887,[M+H]+,20.0,test,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1
520279,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1,348.14887,[M+H]+,45.0,test,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1
520280,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1,348.14887,[M+H]+,60.0,test,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1
520281,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1,348.14887,[M+H]+,20.0,test,Cc1cc2c(N3CCOC(C(=O)N4CCSCC4)C3)nccn2n1
520282,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,312.12775,[M+H-2H2O]+,20.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520283,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,312.12775,[M+H-2H2O]+,20.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520284,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,312.12775,[M+H-2H2O]+,45.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520285,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,312.12775,[M+H-2H2O]+,60.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520286,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,312.12775,[M+H-2H2O]+,20.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520287,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,312.12775,[M+H-2H2O]+,60.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520288,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,312.12775,[M+H-2H2O]+,45.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520289,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,312.12775,[M+H-2H2O]+,20.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520290,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,348.14887,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520291,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,348.14887,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520292,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,348.14887,[M+H]+,60.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520293,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,348.14887,[M+H]+,30.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520294,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,348.14887,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520295,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,348.14887,[M+H]+,45.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520296,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,348.14887,[M+H]+,60.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520297,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1,348.14887,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1
520298,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,378.10639,[M-H]-,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520299,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,378.10639,[M-H]-,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520300,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,378.10639,[M-H]-,60.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520301,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,378.10639,[M-H]-,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520302,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,378.10639,[M-H]-,45.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520303,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,380.12094,[M+H]+,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520304,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,380.12094,[M+H]+,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520305,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,380.12094,[M+H]+,60.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520306,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,380.12094,[M+H]+,15.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520307,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3c(C)ccs3)ns2)CC1,380.12094,[M+H]+,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
520308,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520309,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520310,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,60.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520311,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,15.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520312,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520313,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520314,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520315,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,60.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520316,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,15.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520317,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520318,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,60.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520319,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,15.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520320,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520321,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520322,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520323,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,60.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520324,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,15.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520325,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,518.05918,[M-H]-,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520326,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520327,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520328,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,60.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520329,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,30.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520330,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520331,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,60.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520332,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,30.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520333,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,520.07374,[M+H]+,20.0,test,CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
520334,CCCCCCCc1cc(=O)c2ccccc2n1O,258.14995,[M-H]-,20.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520335,CCCCCCCc1cc(=O)c2ccccc2n1O,258.14995,[M-H]-,20.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520336,CCCCCCCc1cc(=O)c2ccccc2n1O,258.14995,[M-H]-,60.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520337,CCCCCCCc1cc(=O)c2ccccc2n1O,258.14995,[M-H]-,30.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520338,CCCCCCCc1cc(=O)c2ccccc2n1O,258.14995,[M-H]-,20.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520339,CC(C)NC[C@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NC[C@H](O)COc1cccc2ccccc12
520340,CC(C)NC[C@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NC[C@H](O)COc1cccc2ccccc12
520341,CC(C)NC[C@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NC[C@H](O)COc1cccc2ccccc12
520342,CC(C)NC[C@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,30.0,test,CC(C)NC[C@H](O)COc1cccc2ccccc12
520343,CC(C)NC[C@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NC[C@H](O)COc1cccc2ccccc12
520344,CC(C)NC[C@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NC[C@H](O)COc1cccc2ccccc12
520345,CC(C)NC[C@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,30.0,test,CC(C)NC[C@H](O)COc1cccc2ccccc12
520346,CC(C)NC[C@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NC[C@H](O)COc1cccc2ccccc12
520347,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,20.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520348,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,20.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520349,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,30.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520350,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,60.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520351,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,15.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520352,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,20.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520353,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,60.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520354,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,20.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520355,CCCCCCCc1cc(=O)c2ccccc2n1O,260.1645,[M+H]+,20.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520356,CCCCCCCc1cc(=O)c2ccccc2n1O,260.1645,[M+H]+,20.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520357,CCCCCCCc1cc(=O)c2ccccc2n1O,260.1645,[M+H]+,60.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520358,CCCCCCCc1cc(=O)c2ccccc2n1O,260.1645,[M+H]+,20.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520359,CCCCCCCc1cc(=O)c2ccccc2n1O,260.1645,[M+H]+,45.0,test,CCCCCCCc1cc(=O)c2ccccc2n1O
520360,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520361,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520362,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520363,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,30.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520364,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520365,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520366,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520367,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,30.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520368,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520369,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,15.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520370,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520371,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520372,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520373,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520374,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520375,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520376,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,30.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520377,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520378,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520379,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,30.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520380,CC(C)NCC(O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NCC(O)COc1cccc2ccccc12
520381,CC(C)NC[C@@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1cccc2ccccc12
520382,CC(C)NC[C@@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1cccc2ccccc12
520383,CC(C)NC[C@@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NC[C@@H](O)COc1cccc2ccccc12
520384,CC(C)NC[C@@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,30.0,test,CC(C)NC[C@@H](O)COc1cccc2ccccc12
520385,CC(C)NC[C@@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1cccc2ccccc12
520386,CC(C)NC[C@@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,60.0,test,CC(C)NC[C@@H](O)COc1cccc2ccccc12
520387,CC(C)NC[C@@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,30.0,test,CC(C)NC[C@@H](O)COc1cccc2ccccc12
520388,CC(C)NC[C@@H](O)COc1cccc2ccccc12,260.1645,[M+H]+,20.0,test,CC(C)NC[C@@H](O)COc1cccc2ccccc12
520389,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,20.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520390,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,20.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520391,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,60.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520392,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,30.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520393,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,20.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520394,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,60.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520395,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,30.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520396,CCC(=O)NCC[C@@H]1CCc2c1c1c(cc2)OCC1,260.1645,[M+H]+,20.0,test,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
520397,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1,260.1645,[M+H]+,20.0,test,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1
520398,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1,260.1645,[M+H]+,20.0,test,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1
520399,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1,260.1645,[M+H]+,45.0,test,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1
520400,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1,260.1645,[M+H]+,60.0,test,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1
520401,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1,260.1645,[M+H]+,20.0,test,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1
520402,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1,260.1645,[M+H]+,60.0,test,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1
520403,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1,260.1645,[M+H]+,45.0,test,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1
520404,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1,260.1645,[M+H]+,20.0,test,c1ccc(CN2CC3CCC(C2)C32OCCO2)cc1
520405,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3,260.1645,[M+H]+,20.0,test,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3
520406,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3,260.1645,[M+H]+,20.0,test,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3
520407,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3,260.1645,[M+H]+,60.0,test,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3
520408,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3,260.1645,[M+H]+,15.0,test,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3
520409,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3,260.1645,[M+H]+,20.0,test,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3
520410,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,258.14995,[M-H]-,20.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520411,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,258.14995,[M-H]-,20.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520412,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,258.14995,[M-H]-,60.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520413,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,258.14995,[M-H]-,20.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520414,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,258.14995,[M-H]-,20.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520415,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,258.14995,[M-H]-,60.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520416,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,260.1645,[M+H]+,20.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520417,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,260.1645,[M+H]+,20.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520418,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,260.1645,[M+H]+,60.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520419,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,260.1645,[M+H]+,20.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520420,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,260.1645,[M+H]+,60.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520421,CCCCCCCc1[nH]c2ccccc2c(=O)c1O,260.1645,[M+H]+,20.0,test,CCCCCCCc1[nH]c2ccccc2c(=O)c1O
520422,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,338.10677,[M-H]-,20.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520423,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,338.10677,[M-H]-,20.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520424,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,338.10677,[M-H]-,60.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520425,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,338.10677,[M-H]-,15.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520426,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,338.10677,[M-H]-,20.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520427,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,338.10677,[M-H]-,20.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520428,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,338.10677,[M-H]-,20.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520429,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,338.10677,[M-H]-,60.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520430,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,338.10677,[M-H]-,30.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520431,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,338.10677,[M-H]-,20.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520432,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,338.10677,[M-H]-,60.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520433,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,338.10677,[M-H]-,30.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520434,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,338.10677,[M-H]-,20.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520435,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,340.12132,[M+H]+,20.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520436,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,340.12132,[M+H]+,20.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520437,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,340.12132,[M+H]+,60.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520438,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,340.12132,[M+H]+,30.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520439,CC1C(C(=O)O)CCN1S(=O)(=O)c1cc2c(cc1)OC(C)(C)C2,340.12132,[M+H]+,20.0,test,CC1C(C(=O)O)CCN1S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2
520440,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,340.12132,[M+H]+,20.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520441,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,340.12132,[M+H]+,20.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520442,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,340.12132,[M+H]+,60.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520443,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,340.12132,[M+H]+,15.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520444,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1,340.12132,[M+H]+,20.0,test,CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1
520445,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,340.12132,[M+H]+,20.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520446,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,340.12132,[M+H]+,20.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520447,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,340.12132,[M+H]+,60.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520448,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,340.12132,[M+H]+,15.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520449,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,340.12132,[M+H]+,20.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520450,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,340.12132,[M+H]+,60.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520451,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,340.12132,[M+H]+,15.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520452,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,340.12132,[M+H]+,20.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520453,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,362.10326,[M+Na]+,20.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520454,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,362.10326,[M+Na]+,20.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520455,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,362.10326,[M+Na]+,20.0,test,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
520456,CC(C)CN(C(=O)c1cc2c(cc1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,20.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520457,CC(C)CN(C(=O)c1cc2c(cc1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,20.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520458,CC(C)CN(C(=O)c1cc2c(cc1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,60.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520459,CC(C)CN(C(=O)c1cc2c(cc1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,15.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520460,CC(C)CN(C(=O)c1cc2c(cc1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,20.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520461,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1,338.10677,[M-H]-,20.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1
520462,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1,338.10677,[M-H]-,20.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1
520463,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1,338.10677,[M-H]-,45.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1
520464,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1,338.10677,[M-H]-,60.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1
520465,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1,338.10677,[M-H]-,20.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccco1
520466,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,338.10677,[M-H]-,20.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520467,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,338.10677,[M-H]-,20.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520468,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,338.10677,[M-H]-,60.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520469,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,338.10677,[M-H]-,30.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520470,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,338.10677,[M-H]-,20.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520471,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,338.10677,[M-H]-,30.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520472,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,338.10677,[M-H]-,20.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520473,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,338.10677,[M-H]-,60.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520474,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,20.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520475,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,20.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520476,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,60.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520477,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,15.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520478,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1,340.12132,[M+H]+,20.0,test,CC(C)CN(C(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1
520479,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1,322.11076,[M+H-H2O]+,20.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1
520480,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1,322.11076,[M+H-H2O]+,20.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1
520481,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1,322.11076,[M+H-H2O]+,60.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1
520482,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1,322.11076,[M+H-H2O]+,15.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1
520483,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1,322.11076,[M+H-H2O]+,20.0,test,COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(O)c1ccco1
520484,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,340.12132,[M+H]+,20.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520485,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,340.12132,[M+H]+,20.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520486,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,340.12132,[M+H]+,60.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520487,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,340.12132,[M+H]+,15.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520488,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2,340.12132,[M+H]+,20.0,test,COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2
520489,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,352.14334,[M+FA]-,20.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520490,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,352.14334,[M+FA]-,60.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520491,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,352.14334,[M+FA]-,15.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520492,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,352.14334,[M+FA]-,20.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520493,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,308.15242,[M+H]+,20.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520494,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,308.15242,[M+H]+,20.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520495,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,308.15242,[M+H]+,60.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520496,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,308.15242,[M+H]+,30.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520497,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,308.15242,[M+H]+,20.0,test,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
520498,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1,308.15242,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
520499,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1,308.15242,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
520500,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1,308.15242,[M+H]+,30.0,test,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
520501,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1,308.15242,[M+H]+,60.0,test,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
520502,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1,308.15242,[M+H]+,15.0,test,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
520503,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1,308.15242,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
520504,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1,308.15242,[M+H]+,60.0,test,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
520505,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1,308.15242,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
520506,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1,308.15242,[M+H]+,20.0,test,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1
520507,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1,308.15242,[M+H]+,20.0,test,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1
520508,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1,308.15242,[M+H]+,60.0,test,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1
520509,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1,308.15242,[M+H]+,30.0,test,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1
520510,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1,308.15242,[M+H]+,20.0,test,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1
520511,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1,308.15242,[M+H]+,30.0,test,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1
520512,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1,308.15242,[M+H]+,20.0,test,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1
520513,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1,308.15242,[M+H]+,60.0,test,Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCCC2)CC1
520514,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,306.13786,[M-H]-,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520515,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,306.13786,[M-H]-,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520516,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,306.13786,[M-H]-,45.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520517,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,306.13786,[M-H]-,60.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520518,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,306.13786,[M-H]-,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520519,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,352.14334,[M+FA]-,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520520,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,352.14334,[M+FA]-,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520521,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,352.14334,[M+FA]-,60.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520522,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,352.14334,[M+FA]-,15.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520523,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,352.14334,[M+FA]-,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520524,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,308.15242,[M+H]+,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520525,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,308.15242,[M+H]+,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520526,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,308.15242,[M+H]+,30.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520527,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,308.15242,[M+H]+,60.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520528,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,308.15242,[M+H]+,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520529,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,308.15242,[M+H]+,45.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520530,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,308.15242,[M+H]+,20.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520531,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12,308.15242,[M+H]+,60.0,test,CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
520532,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,382.111,[M-H]-,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520533,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,382.111,[M-H]-,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520534,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,382.111,[M-H]-,60.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520535,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,382.111,[M-H]-,30.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520536,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,382.111,[M-H]-,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520537,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,418.08767,[M+Cl]-,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520538,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,418.08767,[M+Cl]-,60.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520539,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,418.08767,[M+Cl]-,15.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520540,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,428.11648,[M+FA]-,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520541,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,428.11648,[M+FA]-,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520542,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,428.11648,[M+FA]-,60.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520543,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,428.11648,[M+FA]-,15.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520544,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,428.11648,[M+FA]-,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520545,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,384.12555,[M+H]+,30.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520546,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,384.12555,[M+H]+,30.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520547,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,384.12555,[M+H]+,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520548,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,384.12555,[M+H]+,60.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520549,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,384.12555,[M+H]+,30.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520550,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,384.12555,[M+H]+,20.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520551,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,384.12555,[M+H]+,60.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520552,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1,384.12555,[M+H]+,30.0,test,CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1
520553,CC(=O)N1CCC2(CC1)CC2N(Cc1cscc1)C(C)=O,307.14747,[M+H]+,20.0,test,CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
520554,CC(=O)N1CCC2(CC1)CC2N(Cc1cscc1)C(C)=O,307.14747,[M+H]+,20.0,test,CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
520555,CC(=O)N1CCC2(CC1)CC2N(Cc1cscc1)C(C)=O,307.14747,[M+H]+,60.0,test,CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
520556,CC(=O)N1CCC2(CC1)CC2N(Cc1cscc1)C(C)=O,307.14747,[M+H]+,30.0,test,CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
520557,CC(=O)N1CCC2(CC1)CC2N(Cc1cscc1)C(C)=O,307.14747,[M+H]+,20.0,test,CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
520558,CC(=O)N1CCC2(CC1)CC2N(Cc1cscc1)C(C)=O,307.14747,[M+H]+,60.0,test,CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
520559,CC(=O)N1CCC2(CC1)CC2N(Cc1cscc1)C(C)=O,307.14747,[M+H]+,30.0,test,CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
520560,CC(=O)N1CCC2(CC1)CC2N(Cc1cscc1)C(C)=O,307.14747,[M+H]+,20.0,test,CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
520561,Cc1c(CN2CCCC(CCO)C2)nc(-c2cccs2)o1,307.14747,[M+H]+,20.0,test,Cc1oc(-c2cccs2)nc1CN1CCCC(CCO)C1
520562,Cc1c(CN2CCCC(CCO)C2)nc(-c2cccs2)o1,307.14747,[M+H]+,20.0,test,Cc1oc(-c2cccs2)nc1CN1CCCC(CCO)C1
520563,Cc1c(CN2CCCC(CCO)C2)nc(-c2cccs2)o1,307.14747,[M+H]+,60.0,test,Cc1oc(-c2cccs2)nc1CN1CCCC(CCO)C1
520564,Cc1c(CN2CCCC(CCO)C2)nc(-c2cccs2)o1,307.14747,[M+H]+,30.0,test,Cc1oc(-c2cccs2)nc1CN1CCCC(CCO)C1
520565,Cc1c(CN2CCCC(CCO)C2)nc(-c2cccs2)o1,307.14747,[M+H]+,20.0,test,Cc1oc(-c2cccs2)nc1CN1CCCC(CCO)C1
520566,Cc1c(CN2CCCC(CCO)C2)nc(-c2cccs2)o1,307.14747,[M+H]+,60.0,test,Cc1oc(-c2cccs2)nc1CN1CCCC(CCO)C1
520567,Cc1c(CN2CCCC(CCO)C2)nc(-c2cccs2)o1,307.14747,[M+H]+,30.0,test,Cc1oc(-c2cccs2)nc1CN1CCCC(CCO)C1
520568,Cc1c(CN2CCCC(CCO)C2)nc(-c2cccs2)o1,307.14747,[M+H]+,20.0,test,Cc1oc(-c2cccs2)nc1CN1CCCC(CCO)C1
520569,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,351.1384,[M+FA]-,15.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520570,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,351.1384,[M+FA]-,60.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520571,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,351.1384,[M+FA]-,20.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520572,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O,307.14747,[M+H]+,20.0,test,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O
520573,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O,307.14747,[M+H]+,20.0,test,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O
520574,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O,307.14747,[M+H]+,60.0,test,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O
520575,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O,307.14747,[M+H]+,30.0,test,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O
520576,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O,307.14747,[M+H]+,20.0,test,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O
520577,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O,307.14747,[M+H]+,60.0,test,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O
520578,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O,307.14747,[M+H]+,30.0,test,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O
520579,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O,307.14747,[M+H]+,20.0,test,CCn1ccc2sc(C)c(C(=O)NCCC(C)C)c2c1=O
520580,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,307.14747,[M+H]+,20.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520581,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,307.14747,[M+H]+,20.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520582,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,307.14747,[M+H]+,60.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520583,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,307.14747,[M+H]+,30.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520584,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,307.14747,[M+H]+,20.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520585,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,307.14747,[M+H]+,30.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520586,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,307.14747,[M+H]+,20.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520587,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,307.14747,[M+H]+,60.0,test,Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
520588,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1,339.11955,[M+H]+,20.0,test,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1
520589,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1,339.11955,[M+H]+,20.0,test,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1
520590,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1,339.11955,[M+H]+,45.0,test,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1
520591,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1,339.11955,[M+H]+,60.0,test,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1
520592,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1,339.11955,[M+H]+,20.0,test,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1
520593,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1,339.11955,[M+H]+,45.0,test,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1
520594,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1,339.11955,[M+H]+,60.0,test,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1
520595,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1,339.11955,[M+H]+,20.0,test,Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(C)cc2C)s1
520596,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2,339.11955,[M+H]+,20.0,test,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2
520597,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2,339.11955,[M+H]+,20.0,test,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2
520598,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2,339.11955,[M+H]+,60.0,test,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2
520599,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2,339.11955,[M+H]+,15.0,test,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2
520600,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2,339.11955,[M+H]+,20.0,test,COC(=O)c1c(NC(=S)N2CCCC(C)C2)sc2c1CCC2
520601,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1,355.11446,[M+H]+,20.0,test,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1
520602,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1,355.11446,[M+H]+,20.0,test,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1
520603,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1,355.11446,[M+H]+,60.0,test,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1
520604,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1,355.11446,[M+H]+,15.0,test,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1
520605,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1,355.11446,[M+H]+,20.0,test,CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1
520606,CCOc1cc(S(=O)(=O)NCc2c(C)nc(C)s2)c(OCC)cc1,371.10938,[M+H]+,20.0,test,CCOc1ccc(OCC)c(S(=O)(=O)NCc2sc(C)nc2C)c1
520607,CCOc1cc(S(=O)(=O)NCc2c(C)nc(C)s2)c(OCC)cc1,371.10938,[M+H]+,20.0,test,CCOc1ccc(OCC)c(S(=O)(=O)NCc2sc(C)nc2C)c1
520608,CCOc1cc(S(=O)(=O)NCc2c(C)nc(C)s2)c(OCC)cc1,371.10938,[M+H]+,60.0,test,CCOc1ccc(OCC)c(S(=O)(=O)NCc2sc(C)nc2C)c1
520609,CCOc1cc(S(=O)(=O)NCc2c(C)nc(C)s2)c(OCC)cc1,371.10938,[M+H]+,30.0,test,CCOc1ccc(OCC)c(S(=O)(=O)NCc2sc(C)nc2C)c1
520610,CCOc1cc(S(=O)(=O)NCc2c(C)nc(C)s2)c(OCC)cc1,371.10938,[M+H]+,20.0,test,CCOc1ccc(OCC)c(S(=O)(=O)NCc2sc(C)nc2C)c1
520611,CCOc1cc(S(=O)(=O)NCc2c(C)nc(C)s2)c(OCC)cc1,371.10938,[M+H]+,60.0,test,CCOc1ccc(OCC)c(S(=O)(=O)NCc2sc(C)nc2C)c1
520612,CCOc1cc(S(=O)(=O)NCc2c(C)nc(C)s2)c(OCC)cc1,371.10938,[M+H]+,30.0,test,CCOc1ccc(OCC)c(S(=O)(=O)NCc2sc(C)nc2C)c1
520613,CCOc1cc(S(=O)(=O)NCc2c(C)nc(C)s2)c(OCC)cc1,371.10938,[M+H]+,20.0,test,CCOc1ccc(OCC)c(S(=O)(=O)NCc2sc(C)nc2C)c1
520614,CCN1CCC(CNc2ncnc3ccccc23)CC1,305.15385,[M+Cl]-,20.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520615,CCN1CCC(CNc2ncnc3ccccc23)CC1,305.15385,[M+Cl]-,20.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520616,CCN1CCC(CNc2ncnc3ccccc23)CC1,271.19172,[M+H]+,20.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520617,CCN1CCC(CNc2ncnc3ccccc23)CC1,271.19172,[M+H]+,20.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520618,CCN1CCC(CNc2ncnc3ccccc23)CC1,271.19172,[M+H]+,60.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520619,CCN1CCC(CNc2ncnc3ccccc23)CC1,271.19172,[M+H]+,30.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520620,CCN1CCC(CNc2ncnc3ccccc23)CC1,271.19172,[M+H]+,20.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520621,CCN1CCC(CNc2ncnc3ccccc23)CC1,271.19172,[M+H]+,60.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520622,CCN1CCC(CNc2ncnc3ccccc23)CC1,271.19172,[M+H]+,30.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520623,CCN1CCC(CNc2ncnc3ccccc23)CC1,271.19172,[M+H]+,20.0,test,CCN1CCC(CNc2ncnc3ccccc23)CC1
520624,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1,271.19172,[M+H]+,20.0,test,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1
520625,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1,271.19172,[M+H]+,20.0,test,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1
520626,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1,271.19172,[M+H]+,60.0,test,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1
520627,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1,271.19172,[M+H]+,30.0,test,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1
520628,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1,271.19172,[M+H]+,20.0,test,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1
520629,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1,271.19172,[M+H]+,60.0,test,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1
520630,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1,271.19172,[M+H]+,30.0,test,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1
520631,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1,271.19172,[M+H]+,20.0,test,CC1CC(N)CCN1Cc1cc(-c2ccccc2)n[nH]1
520632,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1,303.16379,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1
520633,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1,303.16379,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1
520634,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1,303.16379,[M+H]+,60.0,test,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1
520635,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1,303.16379,[M+H]+,30.0,test,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1
520636,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1,303.16379,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1
520637,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1,303.16379,[M+H]+,30.0,test,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1
520638,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1,303.16379,[M+H]+,60.0,test,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1
520639,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1,303.16379,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3Cc2csc(C)n2)c1
520640,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1,303.16379,[M+H]+,20.0,test,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1
520641,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1,303.16379,[M+H]+,20.0,test,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1
520642,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1,303.16379,[M+H]+,45.0,test,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1
520643,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1,303.16379,[M+H]+,60.0,test,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1
520644,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1,303.16379,[M+H]+,20.0,test,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1
520645,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1,303.16379,[M+H]+,45.0,test,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1
520646,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1,303.16379,[M+H]+,60.0,test,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1
520647,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1,303.16379,[M+H]+,20.0,test,CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1
520648,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1,303.16379,[M+H]+,20.0,test,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1
520649,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1,303.16379,[M+H]+,20.0,test,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1
520650,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1,303.16379,[M+H]+,60.0,test,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1
520651,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1,303.16379,[M+H]+,30.0,test,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1
520652,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1,303.16379,[M+H]+,20.0,test,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1
520653,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1,303.16379,[M+H]+,30.0,test,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1
520654,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1,303.16379,[M+H]+,20.0,test,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1
520655,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1,303.16379,[M+H]+,60.0,test,CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1
520656,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,359.18371,[M+FA]-,20.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520657,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,359.18371,[M+FA]-,20.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520658,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,359.18371,[M+FA]-,60.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520659,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,359.18371,[M+FA]-,15.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520660,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,359.18371,[M+FA]-,20.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520661,CC(C)(C)N1CCN(C(=O)c2ccc(-c3n[nH]cn3)nc2)CC1,315.19279,[M+H]+,20.0,test,CC(C)(C)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)nc2)CC1
520662,CC(C)(C)N1CCN(C(=O)c2ccc(-c3n[nH]cn3)nc2)CC1,315.19279,[M+H]+,20.0,test,CC(C)(C)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)nc2)CC1
520663,CC(C)(C)N1CCN(C(=O)c2ccc(-c3n[nH]cn3)nc2)CC1,315.19279,[M+H]+,60.0,test,CC(C)(C)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)nc2)CC1
520664,CC(C)(C)N1CCN(C(=O)c2ccc(-c3n[nH]cn3)nc2)CC1,315.19279,[M+H]+,30.0,test,CC(C)(C)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)nc2)CC1
520665,CC(C)(C)N1CCN(C(=O)c2ccc(-c3n[nH]cn3)nc2)CC1,315.19279,[M+H]+,20.0,test,CC(C)(C)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)nc2)CC1
520666,CC(C)(C)N1CCN(C(=O)c2ccc(-c3n[nH]cn3)nc2)CC1,315.19279,[M+H]+,60.0,test,CC(C)(C)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)nc2)CC1
520667,CC(C)(C)N1CCN(C(=O)c2ccc(-c3n[nH]cn3)nc2)CC1,315.19279,[M+H]+,30.0,test,CC(C)(C)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)nc2)CC1
520668,CC(C)(C)N1CCN(C(=O)c2ccc(-c3n[nH]cn3)nc2)CC1,315.19279,[M+H]+,20.0,test,CC(C)(C)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)nc2)CC1
520669,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,315.19279,[M+H]+,20.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520670,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,315.19279,[M+H]+,20.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520671,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,315.19279,[M+H]+,60.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520672,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,315.19279,[M+H]+,30.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520673,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,315.19279,[M+H]+,20.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520674,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,315.19279,[M+H]+,45.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520675,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,315.19279,[M+H]+,60.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520676,O=C(C1CCc2c(C1)[nH]nc2)N1CCCC(Cn2ccnn2)C1,315.19279,[M+H]+,20.0,test,O=C(C1CCc2cn[nH]c2C1)N1CCCC(Cn2ccnn2)C1
520677,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,313.17823,[M-H]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520678,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,313.17823,[M-H]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520679,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,313.17823,[M-H]-,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520680,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,313.17823,[M-H]-,30.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520681,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,313.17823,[M-H]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520682,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,359.18371,[M+FA]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520683,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,359.18371,[M+FA]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520684,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,359.18371,[M+FA]-,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520685,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,359.18371,[M+FA]-,15.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520686,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,359.18371,[M+FA]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520687,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,315.19279,[M+H]+,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520688,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,315.19279,[M+H]+,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520689,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,315.19279,[M+H]+,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520690,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,315.19279,[M+H]+,30.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520691,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,315.19279,[M+H]+,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520692,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,315.19279,[M+H]+,45.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520693,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,315.19279,[M+H]+,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520694,O=C(NCCNc1nnc(-n2cccn2)cc1)C1CCCCC1,315.19279,[M+H]+,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520695,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,313.17823,[M-H]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520696,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,313.17823,[M-H]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520697,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,313.17823,[M-H]-,45.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520698,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,313.17823,[M-H]-,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520699,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,313.17823,[M-H]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520700,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,313.17823,[M-H]-,45.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520701,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,313.17823,[M-H]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520702,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,313.17823,[M-H]-,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520703,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,349.15491,[M+Cl]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520704,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,349.15491,[M+Cl]-,15.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520705,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,349.15491,[M+Cl]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520706,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,349.15491,[M+Cl]-,15.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520707,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,349.15491,[M+Cl]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520708,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,359.18371,[M+FA]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520709,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,359.18371,[M+FA]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520710,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,359.18371,[M+FA]-,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520711,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,359.18371,[M+FA]-,15.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520712,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,359.18371,[M+FA]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520713,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,359.18371,[M+FA]-,15.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520714,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,359.18371,[M+FA]-,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520715,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,359.18371,[M+FA]-,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520716,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,313.17823,[M-H]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520717,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,313.17823,[M-H]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520718,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,313.17823,[M-H]-,60.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520719,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,313.17823,[M-H]-,15.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520720,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,313.17823,[M-H]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520721,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,313.17823,[M-H]-,15.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520722,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,313.17823,[M-H]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520723,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,313.17823,[M-H]-,60.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520724,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,349.15491,[M+Cl]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520725,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,349.15491,[M+Cl]-,60.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520726,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,349.15491,[M+Cl]-,15.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520727,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,349.15491,[M+Cl]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520728,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,349.15491,[M+Cl]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520729,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,349.15491,[M+Cl]-,15.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520730,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,349.15491,[M+Cl]-,60.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520731,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,359.18371,[M+FA]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520732,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,359.18371,[M+FA]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520733,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,359.18371,[M+FA]-,60.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520734,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,359.18371,[M+FA]-,15.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520735,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,359.18371,[M+FA]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520736,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,359.18371,[M+FA]-,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520737,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,359.18371,[M+FA]-,15.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520738,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,359.18371,[M+FA]-,60.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520739,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1,315.19279,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1
520740,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1,315.19279,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1
520741,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1,315.19279,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1
520742,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1,315.19279,[M+H]+,30.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1
520743,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1,315.19279,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1
520744,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1,315.19279,[M+H]+,20.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1
520745,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1,315.19279,[M+H]+,60.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1
520746,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1,315.19279,[M+H]+,30.0,test,Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1
520747,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,315.19279,[M+H]+,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520748,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,315.19279,[M+H]+,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520749,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,315.19279,[M+H]+,60.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520750,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,315.19279,[M+H]+,30.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520751,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,315.19279,[M+H]+,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520752,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,315.19279,[M+H]+,60.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520753,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,315.19279,[M+H]+,30.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520754,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C,315.19279,[M+H]+,20.0,test,Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C
520755,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,315.19279,[M+H]+,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520756,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,315.19279,[M+H]+,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520757,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,315.19279,[M+H]+,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520758,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,315.19279,[M+H]+,30.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520759,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,315.19279,[M+H]+,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520760,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,315.19279,[M+H]+,30.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520761,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,315.19279,[M+H]+,60.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520762,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1,315.19279,[M+H]+,20.0,test,O=C(NCCNc1ccc(-n2cccn2)nn1)C1CCCCC1
520763,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C,347.18261,[M+H]+,20.0,test,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C
520764,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C,347.18261,[M+H]+,20.0,test,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C
520765,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C,347.18261,[M+H]+,60.0,test,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C
520766,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C,347.18261,[M+H]+,30.0,test,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C
520767,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C,347.18261,[M+H]+,20.0,test,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C
520768,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C,347.18261,[M+H]+,30.0,test,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C
520769,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C,347.18261,[M+H]+,60.0,test,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C
520770,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C,347.18261,[M+H]+,20.0,test,CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C
520771,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1,331.16994,[M+H]+,20.0,test,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1
520772,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1,331.16994,[M+H]+,20.0,test,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1
520773,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1,331.16994,[M+H]+,60.0,test,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1
520774,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1,331.16994,[M+H]+,15.0,test,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1
520775,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1,331.16994,[M+H]+,20.0,test,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1
520776,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1,331.16994,[M+H]+,45.0,test,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1
520777,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1,331.16994,[M+H]+,60.0,test,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1
520778,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1,331.16994,[M+H]+,20.0,test,CCc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(SC)n1
520779,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1,331.16994,[M+H]+,20.0,test,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1
520780,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1,331.16994,[M+H]+,20.0,test,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1
520781,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1,331.16994,[M+H]+,45.0,test,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1
520782,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1,331.16994,[M+H]+,60.0,test,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1
520783,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1,331.16994,[M+H]+,20.0,test,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1
520784,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1,331.16994,[M+H]+,45.0,test,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1
520785,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1,331.16994,[M+H]+,60.0,test,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1
520786,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1,331.16994,[M+H]+,20.0,test,Cc1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1
520787,C=CCc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,20.0,test,C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
520788,C=CCc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,20.0,test,C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
520789,C=CCc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,60.0,test,C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
520790,C=CCc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,15.0,test,C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
520791,C=CCc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,20.0,test,C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
520792,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,344.17038,[M+NH4]+,20.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520793,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,344.17038,[M+NH4]+,20.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520794,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,344.17038,[M+NH4]+,60.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520795,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,344.17038,[M+NH4]+,15.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520796,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,344.17038,[M+NH4]+,20.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520797,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,349.12577,[M+Na]+,20.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520798,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,349.12577,[M+Na]+,20.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520799,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,349.12577,[M+Na]+,60.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520800,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,349.12577,[M+Na]+,30.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520801,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C,349.12577,[M+Na]+,20.0,test,C/C=C/C(=O)OC1/C=C/C(O)C(OC(C)=O)CCC(=O)OC1C
520802,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,361.10595,[M+Cl]-,20.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520803,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,361.10595,[M+Cl]-,15.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520804,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,361.10595,[M+Cl]-,20.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520805,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,20.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520806,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,20.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520807,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,60.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520808,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,15.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520809,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,371.13476,[M+FA]-,20.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520810,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,344.17038,[M+NH4]+,20.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520811,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,344.17038,[M+NH4]+,20.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520812,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,344.17038,[M+NH4]+,60.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520813,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,344.17038,[M+NH4]+,15.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520814,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,344.17038,[M+NH4]+,20.0,test,CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
520815,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520816,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520817,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520818,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,15.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520819,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520820,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
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520841,COc1c(CCC(=O)O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,393.09578,[M+Cl]-,15.0,test,COc1c(CCC(=O)O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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520846,COC(=O)c1cc(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(OC)c1,403.12458,[M+FA]-,15.0,test,COC(=O)c1cc(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(OC)c1
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520848,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520849,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520850,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,15.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520851,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
520852,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,403.12458,[M+FA]-,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
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520871,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CCC(=O)O)cc1,376.1602,[M+NH4]+,20.0,test,COc1ccc(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
520872,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO,371.09648,[M+H]+,20.0,test,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO
520873,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO,371.09648,[M+H]+,20.0,test,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO
520874,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO,371.09648,[M+H]+,60.0,test,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO
520875,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO,371.09648,[M+H]+,30.0,test,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO
520876,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO,371.09648,[M+H]+,20.0,test,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO
520877,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO,371.09648,[M+H]+,60.0,test,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO
520878,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO,371.09648,[M+H]+,30.0,test,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO
520879,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO,371.09648,[M+H]+,20.0,test,CC1CN(C(=O)CCOc2ccccc2Br)CCN1CCO
520880,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1,371.09648,[M+H]+,20.0,test,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1
520881,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1,371.09648,[M+H]+,20.0,test,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1
520882,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1,371.09648,[M+H]+,60.0,test,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1
520883,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1,371.09648,[M+H]+,15.0,test,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1
520884,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1,371.09648,[M+H]+,20.0,test,CC(O)C(=O)N1CCN(C(C)(CO)c2ccc(Br)cc2)CC1
520885,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,246.18524,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
520886,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,246.18524,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
520887,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,246.18524,[M+H]+,60.0,test,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
520888,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,246.18524,[M+H]+,15.0,test,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
520889,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,246.18524,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
520890,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1,342.11921,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1
520891,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1,342.11921,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1
520892,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1,342.11921,[M+H]+,60.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1
520893,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1,342.11921,[M+H]+,30.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1
520894,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1,342.11921,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3cccs3)CCCCC2)C1
520895,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2,342.11921,[M+H]+,20.0,test,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2
520896,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2,342.11921,[M+H]+,20.0,test,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2
520897,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2,342.11921,[M+H]+,60.0,test,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2
520898,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2,342.11921,[M+H]+,30.0,test,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2
520899,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2,342.11921,[M+H]+,20.0,test,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2
520900,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2,342.11921,[M+H]+,60.0,test,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2
520901,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2,342.11921,[M+H]+,30.0,test,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2
520902,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2,342.11921,[M+H]+,20.0,test,CCOc1ccccc1S(=O)(=O)N1C2CCC1CC(SC)C2
520903,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F,322.20376,[M+H]+,20.0,test,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F
520904,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F,322.20376,[M+H]+,20.0,test,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F
520905,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F,322.20376,[M+H]+,30.0,test,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F
520906,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F,322.20376,[M+H]+,60.0,test,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F
520907,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F,322.20376,[M+H]+,20.0,test,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F
520908,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F,322.20376,[M+H]+,45.0,test,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F
520909,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F,322.20376,[M+H]+,60.0,test,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F
520910,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F,322.20376,[M+H]+,20.0,test,Cc1ncnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1F
520911,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,311.15318,[M+Cl]-,60.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520912,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,311.15318,[M+Cl]-,60.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520913,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,311.15318,[M+Cl]-,20.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520914,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,311.15318,[M+Cl]-,60.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520915,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,311.15318,[M+Cl]-,60.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520916,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,259.18049,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520917,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,259.18049,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520918,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,259.18049,[M+H-H2O]+,60.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520919,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,259.18049,[M+H-H2O]+,15.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520920,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,259.18049,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520921,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,277.19105,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520922,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,277.19105,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520923,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,277.19105,[M+H]+,60.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520924,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,277.19105,[M+H]+,30.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520925,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,277.19105,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520926,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,277.19105,[M+H]+,60.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520927,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,277.19105,[M+H]+,30.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520928,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1,277.19105,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)N2CCNCC(O)C2)cc1
520929,CC1CCCCC1CNC(=O)c1noc2c1CCCC2,277.19105,[M+H]+,20.0,test,CC1CCCCC1CNC(=O)c1noc2c1CCCC2
520930,CC1CCCCC1CNC(=O)c1noc2c1CCCC2,277.19105,[M+H]+,20.0,test,CC1CCCCC1CNC(=O)c1noc2c1CCCC2
520931,CC1CCCCC1CNC(=O)c1noc2c1CCCC2,277.19105,[M+H]+,60.0,test,CC1CCCCC1CNC(=O)c1noc2c1CCCC2
520932,CC1CCCCC1CNC(=O)c1noc2c1CCCC2,277.19105,[M+H]+,30.0,test,CC1CCCCC1CNC(=O)c1noc2c1CCCC2
520933,CC1CCCCC1CNC(=O)c1noc2c1CCCC2,277.19105,[M+H]+,20.0,test,CC1CCCCC1CNC(=O)c1noc2c1CCCC2
520934,CC1CCCCC1CNC(=O)c1noc2c1CCCC2,277.19105,[M+H]+,60.0,test,CC1CCCCC1CNC(=O)c1noc2c1CCCC2
520935,CC1CCCCC1CNC(=O)c1noc2c1CCCC2,277.19105,[M+H]+,30.0,test,CC1CCCCC1CNC(=O)c1noc2c1CCCC2
520936,CC1CCCCC1CNC(=O)c1noc2c1CCCC2,277.19105,[M+H]+,20.0,test,CC1CCCCC1CNC(=O)c1noc2c1CCCC2
520937,CC(C)OC1CCN(C(=O)CCc2cnccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)OC1CCN(C(=O)CCc2cccnc2)CC1
520938,CC(C)OC1CCN(C(=O)CCc2cnccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)OC1CCN(C(=O)CCc2cccnc2)CC1
520939,CC(C)OC1CCN(C(=O)CCc2cnccc2)CC1,277.19105,[M+H]+,30.0,test,CC(C)OC1CCN(C(=O)CCc2cccnc2)CC1
520940,CC(C)OC1CCN(C(=O)CCc2cnccc2)CC1,277.19105,[M+H]+,60.0,test,CC(C)OC1CCN(C(=O)CCc2cccnc2)CC1
520941,CC(C)OC1CCN(C(=O)CCc2cnccc2)CC1,277.19105,[M+H]+,15.0,test,CC(C)OC1CCN(C(=O)CCc2cccnc2)CC1
520942,CC(C)OC1CCN(C(=O)CCc2cnccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)OC1CCN(C(=O)CCc2cccnc2)CC1
520943,CC(C)OC1CCN(C(=O)CCc2cnccc2)CC1,277.19105,[M+H]+,60.0,test,CC(C)OC1CCN(C(=O)CCc2cccnc2)CC1
520944,CC(C)OC1CCN(C(=O)CCc2cnccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)OC1CCN(C(=O)CCc2cccnc2)CC1
520945,CCO[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)cn1,277.19105,[M+H]+,20.0,test,CCO[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C
520946,CCO[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)cn1,277.19105,[M+H]+,20.0,test,CCO[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C
520947,CCO[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)cn1,277.19105,[M+H]+,60.0,test,CCO[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C
520948,CCO[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)cn1,277.19105,[M+H]+,30.0,test,CCO[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C
520949,CCO[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)cn1,277.19105,[M+H]+,20.0,test,CCO[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C
520950,CCO[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)cn1,277.19105,[M+H]+,60.0,test,CCO[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C
520951,CCO[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)cn1,277.19105,[M+H]+,30.0,test,CCO[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C
520952,CCO[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)cn1,277.19105,[M+H]+,20.0,test,CCO[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C
520953,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,277.19105,[M+H]+,20.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520954,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,277.19105,[M+H]+,20.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520955,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,277.19105,[M+H]+,60.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520956,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,277.19105,[M+H]+,30.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520957,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,277.19105,[M+H]+,20.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520958,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,277.19105,[M+H]+,60.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520959,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,277.19105,[M+H]+,30.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520960,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1,277.19105,[M+H]+,20.0,test,COc1ccc(CCC(=O)N(C)C2CCNCC2)cc1
520961,Cc1noc(C2CCCN2C(=O)C2CCCCCC2)c1,277.19105,[M+H]+,20.0,test,Cc1cc(C2CCCN2C(=O)C2CCCCCC2)on1
520962,Cc1noc(C2CCCN2C(=O)C2CCCCCC2)c1,277.19105,[M+H]+,20.0,test,Cc1cc(C2CCCN2C(=O)C2CCCCCC2)on1
520963,Cc1noc(C2CCCN2C(=O)C2CCCCCC2)c1,277.19105,[M+H]+,60.0,test,Cc1cc(C2CCCN2C(=O)C2CCCCCC2)on1
520964,Cc1noc(C2CCCN2C(=O)C2CCCCCC2)c1,277.19105,[M+H]+,30.0,test,Cc1cc(C2CCCN2C(=O)C2CCCCCC2)on1
520965,Cc1noc(C2CCCN2C(=O)C2CCCCCC2)c1,277.19105,[M+H]+,20.0,test,Cc1cc(C2CCCN2C(=O)C2CCCCCC2)on1
520966,Cc1noc(C2CCCN2C(=O)C2CCCCCC2)c1,277.19105,[M+H]+,60.0,test,Cc1cc(C2CCCN2C(=O)C2CCCCCC2)on1
520967,Cc1noc(C2CCCN2C(=O)C2CCCCCC2)c1,277.19105,[M+H]+,30.0,test,Cc1cc(C2CCCN2C(=O)C2CCCCCC2)on1
520968,Cc1noc(C2CCCN2C(=O)C2CCCCCC2)c1,277.19105,[M+H]+,20.0,test,Cc1cc(C2CCCN2C(=O)C2CCCCCC2)on1
520969,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,259.18049,[M+H-H2O]+,30.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520970,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,259.18049,[M+H-H2O]+,30.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520971,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,259.18049,[M+H-H2O]+,20.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520972,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,259.18049,[M+H-H2O]+,60.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520973,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,259.18049,[M+H-H2O]+,30.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520974,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,277.19105,[M+H]+,20.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520975,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,277.19105,[M+H]+,20.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520976,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,277.19105,[M+H]+,60.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520977,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,277.19105,[M+H]+,30.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520978,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,277.19105,[M+H]+,20.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520979,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,277.19105,[M+H]+,60.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520980,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,277.19105,[M+H]+,30.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520981,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1,277.19105,[M+H]+,20.0,test,COc1ccc(C2C(CNC(C)=O)CCCN2C)cc1
520982,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O,277.19105,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O
520983,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O,277.19105,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O
520984,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O,277.19105,[M+H]+,60.0,test,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O
520985,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O,277.19105,[M+H]+,30.0,test,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O
520986,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O,277.19105,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O
520987,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O,277.19105,[M+H]+,60.0,test,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O
520988,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O,277.19105,[M+H]+,30.0,test,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O
520989,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O,277.19105,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CN1CCCC1CC(C)O
520990,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1,277.19105,[M+H]+,20.0,test,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1
520991,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1,277.19105,[M+H]+,20.0,test,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1
520992,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1,277.19105,[M+H]+,60.0,test,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1
520993,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1,277.19105,[M+H]+,30.0,test,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1
520994,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1,277.19105,[M+H]+,20.0,test,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1
520995,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1,277.19105,[M+H]+,60.0,test,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1
520996,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1,277.19105,[M+H]+,30.0,test,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1
520997,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1,277.19105,[M+H]+,20.0,test,CN(C)CCOc1cccc(NC(=O)C2CCCC2)c1
520998,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1,277.19105,[M+H]+,20.0,test,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1
520999,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1,277.19105,[M+H]+,20.0,test,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1
521000,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1,277.19105,[M+H]+,60.0,test,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1
521001,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1,277.19105,[M+H]+,30.0,test,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1
521002,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1,277.19105,[M+H]+,20.0,test,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1
521003,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1,277.19105,[M+H]+,60.0,test,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1
521004,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1,277.19105,[M+H]+,30.0,test,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1
521005,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1,277.19105,[M+H]+,20.0,test,CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1
521006,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521007,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521008,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,60.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521009,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,30.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521010,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521011,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,60.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521012,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,30.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521013,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521014,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,275.1765,[M-H]-,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521015,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,275.1765,[M-H]-,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521016,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,275.1765,[M-H]-,60.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521017,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,275.1765,[M-H]-,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521018,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,275.1765,[M-H]-,60.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521019,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521020,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521021,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,60.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521022,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,30.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521023,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521024,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,60.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521025,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,30.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521026,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,277.19105,[M+H]+,20.0,test,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
521027,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
521028,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
521029,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
521030,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
521031,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,30.0,test,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
521032,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
521033,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
521034,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
521035,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1
521036,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1
521037,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1
521038,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1
521039,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1
521040,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1
521041,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1
521042,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1
521043,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1
521044,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1
521045,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1
521046,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1
521047,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1
521048,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1
521049,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2)C1
521050,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1
521051,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1
521052,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1
521053,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1
521054,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2)C1
521055,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1
521056,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1
521057,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1
521058,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1,277.19105,[M+H]+,30.0,test,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1
521059,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)CC1
521060,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
521061,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
521062,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
521063,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
521064,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,30.0,test,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
521065,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
521066,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
521067,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
521068,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1
521069,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1
521070,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1,277.19105,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1
521071,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1,277.19105,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1
521072,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1,277.19105,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1
521073,Cc1cc(C)c(S(=O)(=O)N2CC3CCN(C)CC3C2)cc1,309.16312,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CC3CCN(C)CC3C2)c(C)c1
521074,Cc1cc(C)c(S(=O)(=O)N2CC3CCN(C)CC3C2)cc1,309.16312,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CC3CCN(C)CC3C2)c(C)c1
521075,Cc1cc(C)c(S(=O)(=O)N2CC3CCN(C)CC3C2)cc1,309.16312,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N2CC3CCN(C)CC3C2)c(C)c1
521076,Cc1cc(C)c(S(=O)(=O)N2CC3CCN(C)CC3C2)cc1,309.16312,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CC3CCN(C)CC3C2)c(C)c1
521077,Cc1cc(C)c(S(=O)(=O)N2CC3CCN(C)CC3C2)cc1,309.16312,[M+H]+,45.0,test,Cc1ccc(S(=O)(=O)N2CC3CCN(C)CC3C2)c(C)c1
521078,Cc1cc(C)c(S(=O)(=O)N2CC3CCN(C)CC3C2)cc1,309.16312,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N2CC3CCN(C)CC3C2)c(C)c1
521079,Cc1cc(C)c(S(=O)(=O)N2CC3CCN(C)CC3C2)cc1,309.16312,[M+H]+,45.0,test,Cc1ccc(S(=O)(=O)N2CC3CCN(C)CC3C2)c(C)c1
521080,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1,309.16312,[M+H]+,20.0,test,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1
521081,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1,309.16312,[M+H]+,20.0,test,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1
521082,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1,309.16312,[M+H]+,60.0,test,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1
521083,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1,309.16312,[M+H]+,15.0,test,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1
521084,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1,309.16312,[M+H]+,20.0,test,CC(C)N(CC(N)=O)C(=O)c1csc(C2CCCCC2)c1
521085,O=C(NCC1CCCO1)NCC1(c2cscc2)CCCC1,331.14507,[M+Na]+,20.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521086,O=C(NCC1CCCO1)NCC1(c2cscc2)CCCC1,331.14507,[M+Na]+,20.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521087,O=C(NCC1CCCO1)NCC1(c2cscc2)CCCC1,331.14507,[M+Na]+,60.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521088,O=C(NCC1CCCO1)NCC1(c2cscc2)CCCC1,331.14507,[M+Na]+,20.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521089,O=C(NCC1CCCO1)NCC1(c2cscc2)CCCC1,331.14507,[M+Na]+,45.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521090,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,20.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521091,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,20.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521092,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,60.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521093,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,30.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521094,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,20.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521095,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,60.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521096,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,30.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521097,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,20.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521098,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1,309.16312,[M+H]+,20.0,test,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1
521099,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1,309.16312,[M+H]+,20.0,test,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1
521100,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1,309.16312,[M+H]+,60.0,test,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1
521101,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1,309.16312,[M+H]+,30.0,test,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1
521102,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1,309.16312,[M+H]+,20.0,test,Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1
521103,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,20.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521104,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,20.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521105,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,60.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521106,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,30.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521107,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,20.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521108,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,60.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521109,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,30.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521110,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1,309.16312,[M+H]+,20.0,test,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2cccc(N)c2)C1
521111,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1,309.16312,[M+H]+,20.0,test,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1
521112,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1,309.16312,[M+H]+,20.0,test,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1
521113,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1,309.16312,[M+H]+,45.0,test,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1
521114,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1,309.16312,[M+H]+,60.0,test,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1
521115,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1,309.16312,[M+H]+,20.0,test,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1
521116,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1,309.16312,[M+H]+,20.0,test,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1
521117,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1,309.16312,[M+H]+,45.0,test,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1
521118,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1,309.16312,[M+H]+,60.0,test,O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1
521119,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1,309.16312,[M+H]+,20.0,test,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
521120,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1,309.16312,[M+H]+,20.0,test,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
521121,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1,309.16312,[M+H]+,60.0,test,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
521122,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1,309.16312,[M+H]+,30.0,test,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
521123,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1,309.16312,[M+H]+,20.0,test,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
521124,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1,309.16312,[M+H]+,60.0,test,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
521125,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1,309.16312,[M+H]+,30.0,test,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
521126,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1,309.16312,[M+H]+,20.0,test,O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
521127,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1,309.16312,[M+H]+,20.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521128,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1,309.16312,[M+H]+,20.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521129,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1,309.16312,[M+H]+,30.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521130,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1,309.16312,[M+H]+,60.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521131,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1,309.16312,[M+H]+,15.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521132,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1,309.16312,[M+H]+,20.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521133,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1,309.16312,[M+H]+,20.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521134,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1,309.16312,[M+H]+,60.0,test,O=C(NCC1CCCO1)NCC1(c2ccsc2)CCCC1
521135,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(CCCC3)s2)CC1,335.15472,[M-H]-,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1
521136,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(CCCC3)s2)CC1,337.16927,[M+H]+,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1
521137,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(CCCC3)s2)CC1,337.16927,[M+H]+,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1
521138,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(CCCC3)s2)CC1,337.16927,[M+H]+,15.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1
521139,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(CCCC3)s2)CC1,337.16927,[M+H]+,60.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1
521140,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(CCCC3)s2)CC1,337.16927,[M+H]+,20.0,test,CC(=O)N(C)C1CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1
521141,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1,337.16927,[M+H]+,20.0,test,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1
521142,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1,337.16927,[M+H]+,20.0,test,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1
521143,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1,337.16927,[M+H]+,60.0,test,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1
521144,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1,337.16927,[M+H]+,30.0,test,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1
521145,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1,337.16927,[M+H]+,20.0,test,Cc1nn2c(CNC3CCOC4(CCOCC4)C3)c(C)nc2s1
521146,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1,337.16927,[M+H]+,20.0,test,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1
521147,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1,337.16927,[M+H]+,20.0,test,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1
521148,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1,337.16927,[M+H]+,60.0,test,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1
521149,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1,337.16927,[M+H]+,30.0,test,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1
521150,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1,337.16927,[M+H]+,20.0,test,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1
521151,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1,337.16927,[M+H]+,60.0,test,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1
521152,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1,337.16927,[M+H]+,30.0,test,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1
521153,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1,337.16927,[M+H]+,20.0,test,NC(=O)NC(CC(=O)N1CCC(N2CCCC2)C1)c1cccs1
521154,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,335.15472,[M-H]-,20.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521155,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,335.15472,[M-H]-,20.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521156,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,335.15472,[M-H]-,45.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521157,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,335.15472,[M-H]-,60.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521158,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,335.15472,[M-H]-,20.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521159,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,335.15472,[M-H]-,45.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521160,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,335.15472,[M-H]-,60.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521161,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,335.15472,[M-H]-,20.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521162,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,371.1314,[M+Cl]-,15.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521163,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,371.1314,[M+Cl]-,15.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521164,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,371.1314,[M+Cl]-,60.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521165,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,335.15472,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521166,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,335.15472,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521167,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,335.15472,[M-H]-,60.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521168,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,335.15472,[M-H]-,30.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521169,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,335.15472,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521170,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,337.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521171,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,337.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521172,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,337.16927,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521173,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,337.16927,[M+H]+,30.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521174,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,337.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521175,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,337.16927,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521176,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,337.16927,[M+H]+,30.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521177,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1,337.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
521178,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C,337.16927,[M+H]+,20.0,test,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C
521179,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C,337.16927,[M+H]+,20.0,test,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C
521180,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C,337.16927,[M+H]+,60.0,test,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C
521181,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C,337.16927,[M+H]+,15.0,test,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C
521182,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C,337.16927,[M+H]+,20.0,test,CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C
521183,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,337.16927,[M+H]+,20.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521184,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,337.16927,[M+H]+,20.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521185,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,337.16927,[M+H]+,60.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521186,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,337.16927,[M+H]+,30.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521187,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,337.16927,[M+H]+,20.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521188,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,337.16927,[M+H]+,45.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521189,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,337.16927,[M+H]+,60.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521190,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1,337.16927,[M+H]+,20.0,test,CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1
521191,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1,301.21352,[M+H]+,20.0,test,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1
521192,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1,301.21352,[M+H]+,20.0,test,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1
521193,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1,301.21352,[M+H]+,60.0,test,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1
521194,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1,301.21352,[M+H]+,20.0,test,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1
521195,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1,301.21352,[M+H]+,60.0,test,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1
521196,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1,301.21352,[M+H]+,20.0,test,Cn1cnnc1C1CCN(c2nccc(C(C)(C)C)n2)CC1
521197,Cc1nccc(N2CCN(Cc3c(C)n(C)nc3C)CC2)n1,301.21352,[M+H]+,20.0,test,Cc1nccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1
521198,Cc1nccc(N2CCN(Cc3c(C)n(C)nc3C)CC2)n1,301.21352,[M+H]+,20.0,test,Cc1nccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1
521199,Cc1nccc(N2CCN(Cc3c(C)n(C)nc3C)CC2)n1,301.21352,[M+H]+,60.0,test,Cc1nccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1
521200,Cc1nccc(N2CCN(Cc3c(C)n(C)nc3C)CC2)n1,301.21352,[M+H]+,30.0,test,Cc1nccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1
521201,Cc1nccc(N2CCN(Cc3c(C)n(C)nc3C)CC2)n1,301.21352,[M+H]+,20.0,test,Cc1nccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1
521202,Cc1nccc(N2CCN(Cc3c(C)n(C)nc3C)CC2)n1,301.21352,[M+H]+,60.0,test,Cc1nccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1
521203,Cc1nccc(N2CCN(Cc3c(C)n(C)nc3C)CC2)n1,301.21352,[M+H]+,30.0,test,Cc1nccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1
521204,Cc1nccc(N2CCN(Cc3c(C)n(C)nc3C)CC2)n1,301.21352,[M+H]+,20.0,test,Cc1nccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1
521205,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1,301.21352,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1
521206,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1,301.21352,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1
521207,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1,301.21352,[M+H]+,45.0,test,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1
521208,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1,301.21352,[M+H]+,60.0,test,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1
521209,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1,301.21352,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1
521210,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1,301.21352,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1
521211,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1,301.21352,[M+H]+,45.0,test,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1
521212,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1,301.21352,[M+H]+,60.0,test,CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1
521213,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C,317.20844,[M+H]+,20.0,test,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C
521214,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C,317.20844,[M+H]+,20.0,test,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C
521215,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C,317.20844,[M+H]+,60.0,test,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C
521216,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C,317.20844,[M+H]+,30.0,test,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C
521217,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C,317.20844,[M+H]+,20.0,test,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C
521218,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C,317.20844,[M+H]+,60.0,test,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C
521219,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C,317.20844,[M+H]+,30.0,test,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C
521220,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C,317.20844,[M+H]+,20.0,test,Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C
521221,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3CCCn32)cn1,317.20844,[M+H]+,20.0,test,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cn1
521222,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3CCCn32)cn1,317.20844,[M+H]+,20.0,test,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cn1
521223,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3CCCn32)cn1,317.20844,[M+H]+,30.0,test,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cn1
521224,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3CCCn32)cn1,317.20844,[M+H]+,60.0,test,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cn1
521225,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3CCCn32)cn1,317.20844,[M+H]+,15.0,test,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cn1
521226,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3CCCn32)cn1,317.20844,[M+H]+,20.0,test,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cn1
521227,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3CCCn32)cn1,317.20844,[M+H]+,60.0,test,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cn1
521228,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3CCCn32)cn1,317.20844,[M+H]+,20.0,test,CCn1cc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cn1
521229,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C,317.20844,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C
521230,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C,317.20844,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C
521231,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C,317.20844,[M+H]+,60.0,test,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C
521232,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C,317.20844,[M+H]+,30.0,test,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C
521233,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C,317.20844,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C
521234,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C,317.20844,[M+H]+,60.0,test,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C
521235,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C,317.20844,[M+H]+,30.0,test,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C
521236,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C,317.20844,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CCCC(Cn3ccnn3)C2)c1C
521237,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1,317.20844,[M+H]+,20.0,test,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1
521238,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1,317.20844,[M+H]+,20.0,test,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1
521239,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1,317.20844,[M+H]+,60.0,test,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1
521240,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1,317.20844,[M+H]+,20.0,test,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1
521241,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1,317.20844,[M+H]+,45.0,test,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1
521242,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1,317.20844,[M+H]+,60.0,test,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1
521243,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1,317.20844,[M+H]+,20.0,test,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1
521244,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1,317.20844,[M+H]+,45.0,test,c1nc(N2CCC(CCN3CCOCC3)CC2)c2cn[nH]c2n1
521245,CCn1c(C)nnc1CN1CCN(c2cc(OC)cnc2)CC1,317.20844,[M+H]+,20.0,test,CCn1c(C)nnc1CN1CCN(c2cncc(OC)c2)CC1
521246,CCn1c(C)nnc1CN1CCN(c2cc(OC)cnc2)CC1,317.20844,[M+H]+,20.0,test,CCn1c(C)nnc1CN1CCN(c2cncc(OC)c2)CC1
521247,CCn1c(C)nnc1CN1CCN(c2cc(OC)cnc2)CC1,317.20844,[M+H]+,60.0,test,CCn1c(C)nnc1CN1CCN(c2cncc(OC)c2)CC1
521248,CCn1c(C)nnc1CN1CCN(c2cc(OC)cnc2)CC1,317.20844,[M+H]+,30.0,test,CCn1c(C)nnc1CN1CCN(c2cncc(OC)c2)CC1
521249,CCn1c(C)nnc1CN1CCN(c2cc(OC)cnc2)CC1,317.20844,[M+H]+,20.0,test,CCn1c(C)nnc1CN1CCN(c2cncc(OC)c2)CC1
521250,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,315.19388,[M-H]-,20.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521251,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,315.19388,[M-H]-,20.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521252,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,315.19388,[M-H]-,45.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521253,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,315.19388,[M-H]-,60.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521254,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,315.19388,[M-H]-,20.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521255,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1,317.20844,[M+H]+,20.0,test,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1
521256,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1,317.20844,[M+H]+,20.0,test,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1
521257,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1,317.20844,[M+H]+,45.0,test,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1
521258,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1,317.20844,[M+H]+,60.0,test,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1
521259,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1,317.20844,[M+H]+,20.0,test,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1
521260,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1,317.20844,[M+H]+,20.0,test,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1
521261,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1,317.20844,[M+H]+,60.0,test,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1
521262,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1,317.20844,[M+H]+,45.0,test,Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1
521263,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1,317.20844,[M+H]+,20.0,test,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1
521264,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1,317.20844,[M+H]+,20.0,test,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1
521265,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1,317.20844,[M+H]+,60.0,test,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1
521266,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1,317.20844,[M+H]+,30.0,test,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1
521267,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1,317.20844,[M+H]+,20.0,test,CC(C)(C)c1cn(C2CC3CCC(C2)N3Cc2nnco2)nn1
521268,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1,317.20844,[M+H]+,20.0,test,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1
521269,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1,317.20844,[M+H]+,20.0,test,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1
521270,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1,317.20844,[M+H]+,60.0,test,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1
521271,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1,317.20844,[M+H]+,30.0,test,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1
521272,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1,317.20844,[M+H]+,20.0,test,Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1
521273,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C,317.20844,[M+H]+,20.0,test,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C
521274,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C,317.20844,[M+H]+,20.0,test,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C
521275,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C,317.20844,[M+H]+,45.0,test,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C
521276,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C,317.20844,[M+H]+,60.0,test,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C
521277,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C,317.20844,[M+H]+,20.0,test,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C
521278,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C,317.20844,[M+H]+,45.0,test,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C
521279,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C,317.20844,[M+H]+,60.0,test,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C
521280,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C,317.20844,[M+H]+,20.0,test,Cc1nc2ncnn2c(N2CCC(N3CCC(O)C3)CC2)c1C
521281,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1,317.20844,[M+H]+,20.0,test,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1
521282,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1,317.20844,[M+H]+,20.0,test,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1
521283,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1,317.20844,[M+H]+,45.0,test,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1
521284,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1,317.20844,[M+H]+,60.0,test,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1
521285,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1,317.20844,[M+H]+,20.0,test,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1
521286,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1,317.20844,[M+H]+,45.0,test,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1
521287,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1,317.20844,[M+H]+,60.0,test,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1
521288,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1,317.20844,[M+H]+,20.0,test,CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1
521289,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,317.20844,[M+H]+,45.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521290,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,317.20844,[M+H]+,45.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521291,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,317.20844,[M+H]+,45.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521292,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,317.20844,[M+H]+,20.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521293,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1,317.20844,[M+H]+,60.0,test,C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1
521294,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1,348.21425,[M+H]+,20.0,test,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1
521295,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1,348.21425,[M+H]+,20.0,test,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1
521296,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1,348.21425,[M+H]+,60.0,test,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1
521297,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1,348.21425,[M+H]+,20.0,test,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1
521298,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1,348.21425,[M+H]+,45.0,test,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1
521299,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1,348.21425,[M+H]+,60.0,test,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1
521300,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1,348.21425,[M+H]+,20.0,test,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1
521301,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1,348.21425,[M+H]+,45.0,test,COCCn1c(-c2ccnn2C)nnc1N1CCN2CCOCC2C1
521302,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,346.1997,[M-H]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521303,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,346.1997,[M-H]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521304,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,346.1997,[M-H]-,60.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521305,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,346.1997,[M-H]-,30.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521306,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,346.1997,[M-H]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521307,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,382.17637,[M+Cl]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521308,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,382.17637,[M+Cl]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521309,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,382.17637,[M+Cl]-,30.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521310,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,382.17637,[M+Cl]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521311,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,392.20518,[M+FA]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521312,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,392.20518,[M+FA]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521313,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,392.20518,[M+FA]-,60.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521314,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,392.20518,[M+FA]-,15.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521315,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,392.20518,[M+FA]-,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521316,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,348.21425,[M+H]+,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521317,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,348.21425,[M+H]+,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521318,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,348.21425,[M+H]+,60.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521319,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,348.21425,[M+H]+,30.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521320,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2nn3nnnc3cc2)CC1,348.21425,[M+H]+,20.0,test,CCC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
521321,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO,372.14863,[M+FA]-,60.0,test,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO
521322,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO,372.14863,[M+FA]-,15.0,test,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO
521323,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO,372.14863,[M+FA]-,20.0,test,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO
521324,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C,328.1577,[M+H]+,20.0,test,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C
521325,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C,328.1577,[M+H]+,20.0,test,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C
521326,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C,328.1577,[M+H]+,30.0,test,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C
521327,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C,328.1577,[M+H]+,60.0,test,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C
521328,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C,328.1577,[M+H]+,15.0,test,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C
521329,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C,328.1577,[M+H]+,20.0,test,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C
521330,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C,328.1577,[M+H]+,20.0,test,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C
521331,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C,328.1577,[M+H]+,60.0,test,CCCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C
521332,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1,328.1577,[M+H]+,20.0,test,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1
521333,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1,328.1577,[M+H]+,20.0,test,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1
521334,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1,328.1577,[M+H]+,60.0,test,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1
521335,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1,328.1577,[M+H]+,30.0,test,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1
521336,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1,328.1577,[M+H]+,20.0,test,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1
521337,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1,328.1577,[M+H]+,30.0,test,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1
521338,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1,328.1577,[M+H]+,60.0,test,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1
521339,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1,328.1577,[M+H]+,20.0,test,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1
521340,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C,328.1577,[M+H]+,20.0,test,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C
521341,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C,328.1577,[M+H]+,20.0,test,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C
521342,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C,328.1577,[M+H]+,60.0,test,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C
521343,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C,328.1577,[M+H]+,15.0,test,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C
521344,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C,328.1577,[M+H]+,20.0,test,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C
521345,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C,328.1577,[M+H]+,20.0,test,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C
521346,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C,328.1577,[M+H]+,15.0,test,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C
521347,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C,328.1577,[M+H]+,60.0,test,CCOc1cc(S(=O)(=O)NC2CCCC2)c(OCC)cc1C
521348,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO,328.1577,[M+H]+,20.0,test,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO
521349,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO,328.1577,[M+H]+,20.0,test,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO
521350,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO,328.1577,[M+H]+,60.0,test,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO
521351,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO,328.1577,[M+H]+,30.0,test,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO
521352,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO,328.1577,[M+H]+,20.0,test,O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCO)CCO
521353,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,20.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521354,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,20.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521355,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,30.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521356,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,60.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521357,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,20.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521358,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,45.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521359,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,30.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521360,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,60.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521361,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O,350.20499,[M+H]+,20.0,test,CN(CCC1CCCCN1C)C(=O)C1CCC(C(F)(F)F)NC1=O
521362,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1,281.22235,[M+H]+,20.0,test,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1
521363,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1,281.22235,[M+H]+,20.0,test,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1
521364,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1,281.22235,[M+H]+,30.0,test,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1
521365,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1,281.22235,[M+H]+,60.0,test,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1
521366,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1,281.22235,[M+H]+,15.0,test,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1
521367,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1,281.22235,[M+H]+,20.0,test,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1
521368,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1,281.22235,[M+H]+,60.0,test,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1
521369,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1,281.22235,[M+H]+,20.0,test,CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1
521370,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1,281.22235,[M+H]+,20.0,test,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1
521371,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1,281.22235,[M+H]+,20.0,test,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1
521372,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1,281.22235,[M+H]+,60.0,test,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1
521373,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1,281.22235,[M+H]+,30.0,test,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1
521374,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1,281.22235,[M+H]+,20.0,test,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1
521375,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1,281.22235,[M+H]+,60.0,test,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1
521376,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1,281.22235,[M+H]+,30.0,test,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1
521377,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1,281.22235,[M+H]+,20.0,test,COC1CCC(CNC(=O)C2NCC23CCCC3)CC1
521378,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,20.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521379,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,20.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521380,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,60.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521381,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,20.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521382,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,45.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521383,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,60.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521384,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,20.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521385,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,45.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521386,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,20.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521387,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,20.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521388,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,60.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521389,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,20.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521390,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,45.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521391,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,60.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521392,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,20.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521393,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,281.22235,[M+H]+,45.0,test,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2
521394,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1,293.23359,[M+H]+,20.0,test,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1
521395,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1,293.23359,[M+H]+,20.0,test,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1
521396,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1,293.23359,[M+H]+,60.0,test,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1
521397,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1,293.23359,[M+H]+,20.0,test,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1
521398,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1,293.23359,[M+H]+,45.0,test,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1
521399,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1,293.23359,[M+H]+,60.0,test,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1
521400,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1,293.23359,[M+H]+,20.0,test,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1
521401,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1,293.23359,[M+H]+,45.0,test,COc1c(C)ncnc1N1CCC(CN(C)C(C)C)CC1
521402,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C,293.23359,[M+H]+,20.0,test,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C
521403,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C,293.23359,[M+H]+,20.0,test,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C
521404,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C,293.23359,[M+H]+,60.0,test,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C
521405,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C,293.23359,[M+H]+,30.0,test,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C
521406,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C,293.23359,[M+H]+,20.0,test,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C
521407,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C,293.23359,[M+H]+,60.0,test,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C
521408,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C,293.23359,[M+H]+,30.0,test,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C
521409,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C,293.23359,[M+H]+,20.0,test,Cc1c(C(C)NC(=O)N(C)CC2CCCCC2)cnn1C
521410,CCN(CC)S(=O)(=O)c1c(N2CCN(C(C)C)CC2)ccnc1,341.20057,[M+H]+,20.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521411,CCN(CC)S(=O)(=O)c1c(N2CCN(C(C)C)CC2)ccnc1,341.20057,[M+H]+,20.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521412,CCN(CC)S(=O)(=O)c1c(N2CCN(C(C)C)CC2)ccnc1,341.20057,[M+H]+,60.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521413,CCN(CC)S(=O)(=O)c1c(N2CCN(C(C)C)CC2)ccnc1,341.20057,[M+H]+,20.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521414,CCN(CC)S(=O)(=O)c1c(N2CCN(C(C)C)CC2)ccnc1,341.20057,[M+H]+,45.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521415,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1,341.20057,[M+H]+,20.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521416,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1,341.20057,[M+H]+,20.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521417,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1,341.20057,[M+H]+,45.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521418,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1,341.20057,[M+H]+,60.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521419,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1,341.20057,[M+H]+,20.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521420,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1,341.20057,[M+H]+,45.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521421,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1,341.20057,[M+H]+,20.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521422,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1,341.20057,[M+H]+,60.0,test,CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
521423,CCCCCCC1OC23OC1CCC2CCC(O)C3O,283.19148,[M-H]-,20.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521424,CCCCCCC1OC23OC1CCC2CCC(O)C3O,283.19148,[M-H]-,20.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521425,CCCCCCC1OC23OC1CCC2CCC(O)C3O,283.19148,[M-H]-,30.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521426,CCCCCCC1OC23OC1CCC2CCC(O)C3O,283.19148,[M-H]-,20.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521427,CCCCCCC1OC23OC1CCC2CCC(O)C3O,285.20603,[M+H]+,20.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521428,CCCCCCC1OC23OC1CCC2CCC(O)C3O,285.20603,[M+H]+,20.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521429,CCCCCCC1OC23OC1CCC2CCC(O)C3O,285.20603,[M+H]+,60.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521430,CCCCCCC1OC23OC1CCC2CCC(O)C3O,285.20603,[M+H]+,15.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521431,CCCCCCC1OC23OC1CCC2CCC(O)C3O,285.20603,[M+H]+,20.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521432,CCCCCCC1OC23OC1CCC2CCC(O)C3O,285.20603,[M+H]+,60.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521433,CCCCCCC1OC23OC1CCC2CCC(O)C3O,285.20603,[M+H]+,15.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521434,CCCCCCC1OC23OC1CCC2CCC(O)C3O,285.20603,[M+H]+,20.0,test,CCCCCCC1OC23OC1CCC2CCC(O)C3O
521435,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,365.16712,[M+Cl]-,20.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521436,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,365.16712,[M+Cl]-,20.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521437,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,365.16712,[M+Cl]-,15.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521438,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,365.16712,[M+Cl]-,60.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521439,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,365.16712,[M+Cl]-,20.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521440,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,331.20499,[M+H]+,20.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521441,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,331.20499,[M+H]+,20.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521442,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,331.20499,[M+H]+,60.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521443,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,331.20499,[M+H]+,30.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521444,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,331.20499,[M+H]+,20.0,test,CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
521445,O=c1[nH]c(-c2ncccn2)nc2c1sc(-c1c(Cl)cc(Cl)cc1)c2,374.98686,[M+H]+,20.0,test,O=c1[nH]c(-c2ncccn2)nc2cc(-c3ccc(Cl)cc3Cl)sc12
521446,O=c1[nH]c(-c2ncccn2)nc2c1sc(-c1c(Cl)cc(Cl)cc1)c2,374.98686,[M+H]+,20.0,test,O=c1[nH]c(-c2ncccn2)nc2cc(-c3ccc(Cl)cc3Cl)sc12
521447,O=c1[nH]c(-c2ncccn2)nc2c1sc(-c1c(Cl)cc(Cl)cc1)c2,374.98686,[M+H]+,60.0,test,O=c1[nH]c(-c2ncccn2)nc2cc(-c3ccc(Cl)cc3Cl)sc12
521448,O=c1[nH]c(-c2ncccn2)nc2c1sc(-c1c(Cl)cc(Cl)cc1)c2,374.98686,[M+H]+,20.0,test,O=c1[nH]c(-c2ncccn2)nc2cc(-c3ccc(Cl)cc3Cl)sc12
521449,O=c1[nH]c(-c2ncccn2)nc2c1sc(-c1c(Cl)cc(Cl)cc1)c2,374.98686,[M+H]+,60.0,test,O=c1[nH]c(-c2ncccn2)nc2cc(-c3ccc(Cl)cc3Cl)sc12
521450,O=C(Nc1cc2c(cc1)c1ccccc1o2)c1ccc([N+](=O)[O-])o1,321.05169,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
521451,O=C(Nc1cc2c(cc1)c1ccccc1o2)c1ccc([N+](=O)[O-])o1,321.05169,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
521452,O=C(Nc1cc2c(cc1)c1ccccc1o2)c1ccc([N+](=O)[O-])o1,321.05169,[M-H]-,60.0,test,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
521453,O=C(Nc1cc2c(cc1)c1ccccc1o2)c1ccc([N+](=O)[O-])o1,321.05169,[M-H]-,30.0,test,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
521454,O=C(Nc1cc2c(cc1)c1ccccc1o2)c1ccc([N+](=O)[O-])o1,321.05169,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
521455,O=C(Nc1cc2c(cc1)c1ccccc1o2)c1ccc([N+](=O)[O-])o1,321.05169,[M-H]-,60.0,test,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
521456,O=C(Nc1cc2c(cc1)c1ccccc1o2)c1ccc([N+](=O)[O-])o1,321.05169,[M-H]-,30.0,test,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
521457,O=C(Nc1cc2c(cc1)c1ccccc1o2)c1ccc([N+](=O)[O-])o1,321.05169,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
521458,N#Cc1c(-c2cccs2)c2c([nH]c1=O)-c1ccccc1SC2,321.01618,[M-H]-,60.0,test,N#Cc1c(-c2cccs2)c2c([nH]c1=O)-c1ccccc1SC2
521459,N#Cc1c(-c2cccs2)c2c([nH]c1=O)-c1ccccc1SC2,321.01618,[M-H]-,20.0,test,N#Cc1c(-c2cccs2)c2c([nH]c1=O)-c1ccccc1SC2
521460,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,417.95996,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521461,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,417.95996,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521462,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,417.95996,[M-H]-,60.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521463,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,417.95996,[M-H]-,30.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521464,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,417.95996,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521465,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,417.95996,[M-H]-,30.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521466,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,417.95996,[M-H]-,60.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521467,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,417.95996,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521468,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,419.97451,[M+H]+,20.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521469,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,419.97451,[M+H]+,20.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521470,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,419.97451,[M+H]+,60.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521471,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,419.97451,[M+H]+,15.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521472,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,419.97451,[M+H]+,20.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521473,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,419.97451,[M+H]+,60.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521474,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,419.97451,[M+H]+,20.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521475,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,419.97451,[M+H]+,15.0,test,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
521476,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,341.0157,[M-H]-,20.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521477,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,341.0157,[M-H]-,20.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521478,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,341.0157,[M-H]-,45.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521479,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,341.0157,[M-H]-,60.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521480,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,341.0157,[M-H]-,20.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521481,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,341.0157,[M-H]-,20.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521482,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,341.0157,[M-H]-,45.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521483,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,341.0157,[M-H]-,60.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521484,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,343.03025,[M+H]+,20.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521485,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,343.03025,[M+H]+,20.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521486,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,343.03025,[M+H]+,60.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521487,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,343.03025,[M+H]+,30.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521488,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl,343.03025,[M+H]+,20.0,test,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl
521489,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1,324.10553,[M+H]+,20.0,test,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1
521490,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1,324.10553,[M+H]+,20.0,test,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1
521491,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1,324.10553,[M+H]+,60.0,test,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1
521492,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1,324.10553,[M+H]+,20.0,test,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1
521493,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1,324.10553,[M+H]+,60.0,test,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1
521494,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1,324.10553,[M+H]+,20.0,test,Fc1cc(F)cc(Cc2nc3nccc(-c4ccccn4)n3n2)c1
521495,COc1cccc2c3c4c(cc(C(=O)O)c3c([N+](=O)[O-])cc12)OCO4,324.05027,[M+H-H2O]+,20.0,test,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
521496,COc1cccc2c3c4c(cc(C(=O)O)c3c([N+](=O)[O-])cc12)OCO4,324.05027,[M+H-H2O]+,20.0,test,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
521497,COc1cccc2c3c4c(cc(C(=O)O)c3c([N+](=O)[O-])cc12)OCO4,324.05027,[M+H-H2O]+,20.0,test,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
521498,COc1cccc2c3c4c(cc(C(=O)O)c3c([N+](=O)[O-])cc12)OCO4,324.05027,[M+H-H2O]+,60.0,test,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
521499,COc1cccc2c3c4c(cc(C(=O)O)c3c([N+](=O)[O-])cc12)OCO4,324.05027,[M+H-H2O]+,30.0,test,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
521500,COc1cccc2c3c4c(cc(C(=O)O)c3c([N+](=O)[O-])cc12)OCO4,324.05027,[M+H-H2O]+,20.0,test,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
521501,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,504.00296,[M-H]-,20.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521502,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,504.00296,[M-H]-,20.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521503,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,504.00296,[M-H]-,60.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521504,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,504.00296,[M-H]-,20.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521505,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,504.00296,[M-H]-,45.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521506,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,506.01751,[M+H]+,20.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521507,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,506.01751,[M+H]+,20.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521508,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,506.01751,[M+H]+,60.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521509,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,506.01751,[M+H]+,30.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521510,C[C@@H](NC(=O)c1c(Cl)c(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(F)(F)F)c2)s1,506.01751,[M+H]+,20.0,test,C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
521511,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,440.97204,[M-H]-,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521512,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,440.97204,[M-H]-,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521513,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,440.97204,[M-H]-,60.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521514,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,440.97204,[M-H]-,15.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521515,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,440.97204,[M-H]-,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521516,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,424.97603,[M+H-H2O]+,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521517,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,424.97603,[M+H-H2O]+,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521518,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,424.97603,[M+H-H2O]+,60.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521519,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,424.97603,[M+H-H2O]+,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521520,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,424.97603,[M+H-H2O]+,45.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521521,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,442.98659,[M+H]+,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521522,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,442.98659,[M+H]+,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521523,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,442.98659,[M+H]+,60.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521524,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,442.98659,[M+H]+,15.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521525,CS(=O)(=O)Oc1cc2c(cc1)c(NC(N)=O)c(C(=O)c1c(Cl)cc(Cl)cc1)o2,442.98659,[M+H]+,20.0,test,CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
521526,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F,383.04158,[M-H]-,20.0,test,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
521527,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F,383.04158,[M-H]-,20.0,test,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
521528,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F,383.04158,[M-H]-,60.0,test,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
521529,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F,383.04158,[M-H]-,30.0,test,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
521530,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F,383.04158,[M-H]-,20.0,test,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
521531,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F,383.04158,[M-H]-,60.0,test,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
521532,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F,383.04158,[M-H]-,30.0,test,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
521533,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F,383.04158,[M-H]-,20.0,test,O=C(c1ccccc1O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
521534,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N,374.01831,[M+H]+,20.0,test,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N
521535,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N,374.01831,[M+H]+,20.0,test,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N
521536,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N,374.01831,[M+H]+,30.0,test,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N
521537,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N,374.01831,[M+H]+,60.0,test,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N
521538,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N,374.01831,[M+H]+,20.0,test,N#Cc1c(NCc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N
521539,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1,314.04009,[M+H]+,20.0,test,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1
521540,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1,314.04009,[M+H]+,20.0,test,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1
521541,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1,314.04009,[M+H]+,45.0,test,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1
521542,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1,314.04009,[M+H]+,60.0,test,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1
521543,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1,314.04009,[M+H]+,20.0,test,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1
521544,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1,314.04009,[M+H]+,45.0,test,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1
521545,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1,314.04009,[M+H]+,60.0,test,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1
521546,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1,314.04009,[M+H]+,20.0,test,O=C(CSc1ccnc2cc(Cl)ccc12)c1ccccc1
521547,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,340.05615,[M-H]-,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521548,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,340.05615,[M-H]-,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521549,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,340.05615,[M-H]-,60.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521550,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,340.05615,[M-H]-,30.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521551,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,340.05615,[M-H]-,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521552,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,340.05615,[M-H]-,60.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521553,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,340.05615,[M-H]-,30.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521554,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,340.05615,[M-H]-,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521555,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,376.03283,[M+Cl]-,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521556,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,376.03283,[M+Cl]-,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521557,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,376.03283,[M+Cl]-,60.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521558,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,376.03283,[M+Cl]-,15.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521559,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,376.03283,[M+Cl]-,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521560,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,342.0707,[M+H]+,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521561,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,342.0707,[M+H]+,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521562,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,342.0707,[M+H]+,60.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521563,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,342.0707,[M+H]+,30.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521564,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,342.0707,[M+H]+,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521565,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,342.0707,[M+H]+,60.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521566,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,342.0707,[M+H]+,30.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521567,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc(F)ccc1,342.0707,[M+H]+,20.0,test,O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1
521568,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1,342.0707,[M+H]+,20.0,test,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1
521569,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1,342.0707,[M+H]+,20.0,test,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1
521570,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1,342.0707,[M+H]+,60.0,test,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1
521571,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1,342.0707,[M+H]+,20.0,test,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1
521572,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1,342.0707,[M+H]+,45.0,test,O=C(CN1N=C2Sc3ccccc3N2CC1=O)c1ccc(F)cc1
521573,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,340.05615,[M-H]-,20.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521574,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,340.05615,[M-H]-,20.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521575,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,340.05615,[M-H]-,60.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521576,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,340.05615,[M-H]-,30.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521577,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,340.05615,[M-H]-,20.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521578,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,340.05615,[M-H]-,30.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521579,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,340.05615,[M-H]-,20.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521580,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,340.05615,[M-H]-,60.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521581,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,376.03283,[M+Cl]-,20.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521582,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,376.03283,[M+Cl]-,20.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521583,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,376.03283,[M+Cl]-,15.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521584,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,376.03283,[M+Cl]-,60.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521585,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1,376.03283,[M+Cl]-,20.0,test,Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1
521586,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,338.10478,[M+H]+,20.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521587,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,338.10478,[M+H]+,20.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521588,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,338.10478,[M+H]+,60.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521589,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,338.10478,[M+H]+,30.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521590,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,338.10478,[M+H]+,20.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521591,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,338.10478,[M+H]+,60.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521592,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,338.10478,[M+H]+,30.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521593,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,338.10478,[M+H]+,20.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521594,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,360.08672,[M+Na]+,20.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521595,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1,360.08672,[M+Na]+,20.0,test,Fc1ccccc1-c1nnc(CCc2nc(-c3ccccn3)no2)o1
521596,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,336.09023,[M-H]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521597,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,336.09023,[M-H]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521598,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,336.09023,[M-H]-,60.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521599,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,336.09023,[M-H]-,30.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521600,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,336.09023,[M-H]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521601,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,336.09023,[M-H]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521602,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,336.09023,[M-H]-,30.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521603,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,336.09023,[M-H]-,60.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521604,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,372.0669,[M+Cl]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521605,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,372.0669,[M+Cl]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521606,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,372.0669,[M+Cl]-,60.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521607,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,372.0669,[M+Cl]-,15.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521608,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,372.0669,[M+Cl]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521609,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,382.09571,[M+FA]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521610,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,382.09571,[M+FA]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521611,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,382.09571,[M+FA]-,60.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521612,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,382.09571,[M+FA]-,15.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521613,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,382.09571,[M+FA]-,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521614,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,336.09023,[M-H]-,20.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521615,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,336.09023,[M-H]-,20.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521616,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,336.09023,[M-H]-,60.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521617,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,336.09023,[M-H]-,30.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521618,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,336.09023,[M-H]-,20.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521619,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,336.09023,[M-H]-,30.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521620,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,336.09023,[M-H]-,60.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521621,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,336.09023,[M-H]-,20.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521622,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,338.10478,[M+H]+,20.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521623,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,338.10478,[M+H]+,20.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521624,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,338.10478,[M+H]+,45.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521625,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,338.10478,[M+H]+,60.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521626,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,338.10478,[M+H]+,20.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521627,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,338.10478,[M+H]+,45.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521628,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,338.10478,[M+H]+,60.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521629,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,338.10478,[M+H]+,20.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521630,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,360.08672,[M+Na]+,20.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521631,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F,360.08672,[M+Na]+,20.0,test,Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
521632,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,338.10478,[M+H]+,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521633,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,338.10478,[M+H]+,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521634,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,338.10478,[M+H]+,60.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521635,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,338.10478,[M+H]+,15.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521636,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1,338.10478,[M+H]+,20.0,test,O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
521637,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,338.10478,[M+H]+,20.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521638,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,338.10478,[M+H]+,20.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521639,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,338.10478,[M+H]+,60.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521640,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,338.10478,[M+H]+,30.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521641,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12,338.10478,[M+H]+,20.0,test,Cc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
521642,Cc1cc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)ccc1,317.11453,[M+H]+,45.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521643,Cc1cc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)ccc1,317.11453,[M+H]+,45.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521644,Cc1cc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)ccc1,317.11453,[M+H]+,20.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521645,Cc1cc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)ccc1,317.11453,[M+H]+,60.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521646,Cc1cc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)ccc1,317.11453,[M+H]+,45.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521647,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1,317.11453,[M+H]+,20.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521648,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1,317.11453,[M+H]+,20.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521649,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1,317.11453,[M+H]+,60.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521650,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1,317.11453,[M+H]+,20.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521651,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1,317.11453,[M+H]+,60.0,test,Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1
521652,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21,317.11453,[M+H]+,20.0,test,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21
521653,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21,317.11453,[M+H]+,20.0,test,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21
521654,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21,317.11453,[M+H]+,30.0,test,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21
521655,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21,317.11453,[M+H]+,60.0,test,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21
521656,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21,317.11453,[M+H]+,15.0,test,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21
521657,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21,317.11453,[M+H]+,20.0,test,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21
521658,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21,317.11453,[M+H]+,60.0,test,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21
521659,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21,317.11453,[M+H]+,20.0,test,N#Cc1ccccc1Cn1c(-c2nonc2N)nc2ccccc21
521660,CS(=O)(=O)c1c2c(c(Oc3cc(F)cc(C#N)c3)cc1)CC(F)C2O,410.05154,[M+FA]-,20.0,test,CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)C2
521661,CS(=O)(=O)c1c2c(c(Oc3cc(F)cc(C#N)c3)cc1)CC(F)C2O,410.05154,[M+FA]-,20.0,test,CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)C2
521662,CS(=O)(=O)c1c2c(c(Oc3cc(F)cc(C#N)c3)cc1)CC(F)C2O,410.05154,[M+FA]-,60.0,test,CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)C2
521663,CS(=O)(=O)c1c2c(c(Oc3cc(F)cc(C#N)c3)cc1)CC(F)C2O,410.05154,[M+FA]-,15.0,test,CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)C2
521664,CS(=O)(=O)c1c2c(c(Oc3cc(F)cc(C#N)c3)cc1)CC(F)C2O,410.05154,[M+FA]-,20.0,test,CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)C2
521665,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,373.10302,[M-H]-,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521666,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,373.10302,[M-H]-,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521667,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,373.10302,[M-H]-,60.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521668,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,373.10302,[M-H]-,30.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521669,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,373.10302,[M-H]-,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521670,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,373.10302,[M-H]-,60.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521671,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,373.10302,[M-H]-,30.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521672,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,373.10302,[M-H]-,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521673,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,409.0797,[M+Cl]-,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521674,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,409.0797,[M+Cl]-,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521675,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,409.0797,[M+Cl]-,60.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521676,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,409.0797,[M+Cl]-,15.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521677,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,409.0797,[M+Cl]-,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521678,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,419.1085,[M+FA]-,30.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521679,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,419.1085,[M+FA]-,30.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521680,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,419.1085,[M+FA]-,60.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521681,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,373.10302,[M-H]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521682,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,373.10302,[M-H]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521683,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,373.10302,[M-H]-,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521684,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,373.10302,[M-H]-,30.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521685,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,373.10302,[M-H]-,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521686,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,375.11757,[M+H]+,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521687,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,375.11757,[M+H]+,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521688,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,375.11757,[M+H]+,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521689,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,375.11757,[M+H]+,30.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521690,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,375.11757,[M+H]+,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521691,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,375.11757,[M+H]+,60.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521692,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,375.11757,[M+H]+,30.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521693,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F,375.11757,[M+H]+,20.0,test,O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
521694,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,375.11757,[M+H]+,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521695,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,375.11757,[M+H]+,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521696,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,375.11757,[M+H]+,60.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521697,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,375.11757,[M+H]+,20.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521698,O=C1CN(c2c3cccnc3ncn2)CCN1c1cc(C(F)(F)F)ncc1,375.11757,[M+H]+,60.0,test,O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1
521699,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,311.06599,[M-H]-,20.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521700,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,311.06599,[M-H]-,20.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521701,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,311.06599,[M-H]-,60.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521702,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,311.06599,[M-H]-,30.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521703,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,311.06599,[M-H]-,20.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521704,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,311.06599,[M-H]-,20.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521705,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,311.06599,[M-H]-,30.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521706,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,311.06599,[M-H]-,60.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521707,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,311.06599,[M-H]-,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521708,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,311.06599,[M-H]-,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521709,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,311.06599,[M-H]-,45.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521710,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,311.06599,[M-H]-,60.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521711,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,311.06599,[M-H]-,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521712,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,311.06599,[M-H]-,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521713,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,311.06599,[M-H]-,45.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521714,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,311.06599,[M-H]-,60.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521715,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,357.07146,[M+FA]-,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521716,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,357.07146,[M+FA]-,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521717,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,357.07146,[M+FA]-,60.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521718,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,357.07146,[M+FA]-,15.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521719,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,357.07146,[M+FA]-,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521720,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,313.08054,[M+H]+,15.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521721,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,313.08054,[M+H]+,15.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521722,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,313.08054,[M+H]+,20.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521723,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,313.08054,[M+H]+,60.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521724,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1,313.08054,[M+H]+,15.0,test,Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1
521725,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1,313.08054,[M+H]+,20.0,test,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
521726,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1,313.08054,[M+H]+,20.0,test,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
521727,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1,313.08054,[M+H]+,45.0,test,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
521728,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1,313.08054,[M+H]+,60.0,test,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
521729,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1,313.08054,[M+H]+,20.0,test,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
521730,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1,313.08054,[M+H]+,60.0,test,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
521731,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1,313.08054,[M+H]+,45.0,test,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
521732,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1,313.08054,[M+H]+,20.0,test,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
521733,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,313.08054,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521734,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,313.08054,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521735,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,313.08054,[M+H]+,60.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521736,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,313.08054,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521737,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,313.08054,[M+H]+,60.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521738,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1,313.08054,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccsc2)nc1
521739,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,306.08841,[M-H]-,20.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521740,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,306.08841,[M-H]-,20.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521741,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,306.08841,[M-H]-,60.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521742,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,306.08841,[M-H]-,20.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521743,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,306.08841,[M-H]-,45.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521744,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,306.08841,[M-H]-,60.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521745,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,306.08841,[M-H]-,20.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521746,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,306.08841,[M-H]-,45.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521747,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,308.10297,[M+H]+,20.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521748,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,308.10297,[M+H]+,20.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521749,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,308.10297,[M+H]+,60.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521750,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,308.10297,[M+H]+,15.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521751,O=C(Nc1ccccc1O)c1cc(Oc2nccnc2)ccc1,308.10297,[M+H]+,20.0,test,O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1
521752,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O,308.10297,[M+H]+,20.0,test,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O
521753,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O,308.10297,[M+H]+,20.0,test,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O
521754,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O,308.10297,[M+H]+,60.0,test,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O
521755,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O,308.10297,[M+H]+,20.0,test,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O
521756,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O,308.10297,[M+H]+,45.0,test,Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O
521757,COc1cc2c(cc1)[nH]c(O)c2-c1c(N=O)c2ccccc2[nH]1,308.10297,[M+H]+,20.0,test,COc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
521758,COc1cc2c(cc1)[nH]c(O)c2-c1c(N=O)c2ccccc2[nH]1,308.10297,[M+H]+,20.0,test,COc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
521759,COc1cc2c(cc1)[nH]c(O)c2-c1c(N=O)c2ccccc2[nH]1,308.10297,[M+H]+,60.0,test,COc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
521760,COc1cc2c(cc1)[nH]c(O)c2-c1c(N=O)c2ccccc2[nH]1,308.10297,[M+H]+,30.0,test,COc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
521761,COc1cc2c(cc1)[nH]c(O)c2-c1c(N=O)c2ccccc2[nH]1,308.10297,[M+H]+,20.0,test,COc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
521762,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,306.08841,[M-H]-,20.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521763,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,306.08841,[M-H]-,20.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521764,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,306.08841,[M-H]-,60.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521765,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,306.08841,[M-H]-,30.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521766,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,306.08841,[M-H]-,20.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521767,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,306.08841,[M-H]-,60.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521768,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,306.08841,[M-H]-,30.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521769,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,306.08841,[M-H]-,20.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521770,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,308.10297,[M+H]+,20.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521771,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,308.10297,[M+H]+,20.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521772,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,308.10297,[M+H]+,60.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521773,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,308.10297,[M+H]+,30.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521774,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,308.10297,[M+H]+,20.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521775,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,308.10297,[M+H]+,60.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521776,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,308.10297,[M+H]+,30.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521777,Nc1c(C(=O)Nc2ccccc2)cc2cc3OCOc3cc2n1,308.10297,[M+H]+,20.0,test,Nc1nc2cc3c(cc2cc1C(=O)Nc1ccccc1)OCO3
521778,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,306.08841,[M-H]-,20.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521779,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,306.08841,[M-H]-,20.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521780,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,306.08841,[M-H]-,60.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521781,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,306.08841,[M-H]-,30.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521782,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,306.08841,[M-H]-,20.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521783,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,306.08841,[M-H]-,30.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521784,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,306.08841,[M-H]-,20.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521785,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,306.08841,[M-H]-,60.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521786,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,308.10297,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521787,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,308.10297,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521788,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,308.10297,[M+H]+,60.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521789,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,308.10297,[M+H]+,15.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521790,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,308.10297,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521791,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,308.10297,[M+H]+,60.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521792,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,308.10297,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521793,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1,308.10297,[M+H]+,15.0,test,O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1
521794,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1,308.10297,[M+H]+,20.0,test,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1
521795,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1,308.10297,[M+H]+,20.0,test,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1
521796,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1,308.10297,[M+H]+,45.0,test,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1
521797,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1,308.10297,[M+H]+,60.0,test,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1
521798,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1,308.10297,[M+H]+,20.0,test,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1
521799,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1,308.10297,[M+H]+,60.0,test,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1
521800,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1,308.10297,[M+H]+,45.0,test,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1
521801,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1,308.10297,[M+H]+,20.0,test,O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1
521802,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,308.10297,[M+H]+,20.0,test,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
521803,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,308.10297,[M+H]+,20.0,test,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
521804,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,308.10297,[M+H]+,45.0,test,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
521805,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,308.10297,[M+H]+,60.0,test,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
521806,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,308.10297,[M+H]+,20.0,test,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
521807,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,308.10297,[M+H]+,45.0,test,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
521808,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,308.10297,[M+H]+,60.0,test,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
521809,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,308.10297,[M+H]+,20.0,test,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
521810,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,354.02475,[M-H]-,20.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521811,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,354.02475,[M-H]-,20.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521812,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,354.02475,[M-H]-,60.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521813,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,354.02475,[M-H]-,15.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521814,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,354.02475,[M-H]-,20.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521815,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,20.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521816,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,20.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521817,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,60.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521818,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,15.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521819,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,20.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521820,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,15.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521821,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,15.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521822,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,20.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521823,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,60.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521824,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,15.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521825,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,15.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521826,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,15.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521827,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,20.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521828,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,60.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521829,C[C@H](NC(=O)/C(C#N)=C/c1nc(Br)ccc1)c1ccccc1,356.0393,[M+H]+,15.0,test,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
521830,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521831,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521832,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,60.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521833,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,30.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521834,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521835,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,60.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521836,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,30.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521837,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521838,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,452.99927,[M+Cl]-,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521839,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,452.99927,[M+Cl]-,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521840,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,452.99927,[M+Cl]-,15.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521841,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,452.99927,[M+Cl]-,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521842,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521843,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521844,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,60.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521845,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,30.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521846,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521847,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,60.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521848,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,30.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521849,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521850,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521851,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,417.02259,[M-H]-,60.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521852,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,30.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521853,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,30.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521854,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,20.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521855,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,60.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521856,O=C(N=c1c(Cl)cn(O)cc1Cl)c1cc(OCC2CC2)c(OC(F)F)cc1,419.03715,[M+H]+,30.0,test,O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
521857,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,457.06761,[M+Cl]-,20.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521858,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,467.09641,[M+FA]-,20.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521859,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,467.09641,[M+FA]-,20.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521860,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,467.09641,[M+FA]-,60.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521861,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,467.09641,[M+FA]-,15.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521862,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,467.09641,[M+FA]-,20.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521863,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,423.10548,[M+H]+,20.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521864,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,423.10548,[M+H]+,20.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521865,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,423.10548,[M+H]+,60.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521866,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,423.10548,[M+H]+,20.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521867,N#Cc1cc(Cl)c(N2CCCN(c3nn4c(C(F)(F)F)nnc4cc3)CC2)nc1,423.10548,[M+H]+,45.0,test,N#Cc1cnc(N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1
521868,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl,317.08515,[M+H]+,20.0,test,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl
521869,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl,317.08515,[M+H]+,20.0,test,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl
521870,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl,317.08515,[M+H]+,60.0,test,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl
521871,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl,317.08515,[M+H]+,30.0,test,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl
521872,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl,317.08515,[M+H]+,20.0,test,Fc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl
521873,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1,319.05427,[M-H]-,20.0,test,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1
521874,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1,319.05427,[M-H]-,20.0,test,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1
521875,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1,319.05427,[M-H]-,45.0,test,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1
521876,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1,319.05427,[M-H]-,60.0,test,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1
521877,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1,319.05427,[M-H]-,20.0,test,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1
521878,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1,319.05427,[M-H]-,20.0,test,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1
521879,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1,319.05427,[M-H]-,45.0,test,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1
521880,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1,319.05427,[M-H]-,60.0,test,O=C(/C=C/c1ccc(Cl)c(O)c1)OCCc1ccc(F)cc1
521881,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,434.03314,[M-H]-,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521882,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,434.03314,[M-H]-,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521883,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,434.03314,[M-H]-,60.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521884,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,434.03314,[M-H]-,30.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521885,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,434.03314,[M-H]-,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521886,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,434.03314,[M-H]-,60.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521887,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,434.03314,[M-H]-,30.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521888,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,434.03314,[M-H]-,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521889,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,418.03713,[M+H-H2O]+,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521890,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,418.03713,[M+H-H2O]+,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521891,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,436.04769,[M+H]+,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521892,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,436.04769,[M+H]+,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521893,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,436.04769,[M+H]+,60.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521894,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,436.04769,[M+H]+,15.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521895,O=C(O)CCc1nc2c(nc(SCC(=O)Nc3cc(Cl)ccc3)[nH]c2=O)[nH]c1=O,436.04769,[M+H]+,20.0,test,O=C(O)CCc1nc2c(=O)[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2[nH]c1=O
521896,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,391.06819,[M-H]-,20.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521897,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,391.06819,[M-H]-,20.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521898,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,391.06819,[M-H]-,60.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521899,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,391.06819,[M-H]-,20.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521900,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,391.06819,[M-H]-,45.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521901,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,391.06819,[M-H]-,60.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521902,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,391.06819,[M-H]-,20.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521903,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,391.06819,[M-H]-,45.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521904,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,393.08274,[M+H]+,20.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521905,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,393.08274,[M+H]+,20.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521906,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,393.08274,[M+H]+,60.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521907,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,393.08274,[M+H]+,30.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521908,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,393.08274,[M+H]+,20.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521909,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,393.08274,[M+H]+,60.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521910,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,393.08274,[M+H]+,30.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521911,NS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(-c3cc(F)cc(F)c3)c2)cc1,393.08274,[M+H]+,20.0,test,NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1
521912,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521913,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521914,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,60.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521915,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521916,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,45.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521917,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,60.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521918,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521919,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,45.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521920,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521921,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521922,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,60.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521923,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,15.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521924,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521925,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521926,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521927,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,60.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521928,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521929,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,45.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521930,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,60.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521931,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521932,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,380.06861,[M-H]-,45.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521933,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521934,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521935,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,60.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521936,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,15.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521937,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,416.04528,[M+Cl]-,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521938,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,382.08316,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521939,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,382.08316,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521940,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,382.08316,[M+H]+,60.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521941,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,382.08316,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521942,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,382.08316,[M+H]+,45.0,test,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
521943,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O,382.08316,[M+H]+,45.0,test,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O
521944,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O,382.08316,[M+H]+,45.0,test,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O
521945,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O,382.08316,[M+H]+,45.0,test,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O
521946,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O,382.08316,[M+H]+,20.0,test,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O
521947,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O,382.08316,[M+H]+,60.0,test,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O
521948,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,342.0718,[M-H]-,20.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521949,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,342.0718,[M-H]-,20.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521950,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,342.0718,[M-H]-,60.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521951,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,342.0718,[M-H]-,30.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521952,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,342.0718,[M-H]-,20.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521953,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,344.08635,[M+H]+,20.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521954,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,344.08635,[M+H]+,20.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521955,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,344.08635,[M+H]+,60.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521956,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,344.08635,[M+H]+,20.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521957,Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1c(=O)n1CCCc1n2,344.08635,[M+H]+,45.0,test,Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3
521958,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F,344.08635,[M+H]+,20.0,test,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F
521959,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F,344.08635,[M+H]+,20.0,test,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F
521960,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F,344.08635,[M+H]+,30.0,test,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F
521961,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F,344.08635,[M+H]+,60.0,test,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F
521962,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F,344.08635,[M+H]+,20.0,test,Cc1ccc(N2CC(c3nc(-c4cccs4)no3)CC2=O)cc1F
521963,O=C(NCCc1csc(-c2ccccc2)n1)c1ncc(F)cc1,328.09144,[M+H]+,20.0,test,O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cn1
521964,O=C(NCCc1csc(-c2ccccc2)n1)c1ncc(F)cc1,328.09144,[M+H]+,20.0,test,O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cn1
521965,O=C(NCCc1csc(-c2ccccc2)n1)c1ncc(F)cc1,328.09144,[M+H]+,60.0,test,O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cn1
521966,O=C(NCCc1csc(-c2ccccc2)n1)c1ncc(F)cc1,328.09144,[M+H]+,30.0,test,O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cn1
521967,O=C(NCCc1csc(-c2ccccc2)n1)c1ncc(F)cc1,328.09144,[M+H]+,20.0,test,O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cn1
521968,O=C(NCCc1csc(-c2ccccc2)n1)c1ncc(F)cc1,328.09144,[M+H]+,60.0,test,O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cn1
521969,O=C(NCCc1csc(-c2ccccc2)n1)c1ncc(F)cc1,328.09144,[M+H]+,30.0,test,O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cn1
521970,O=C(NCCc1csc(-c2ccccc2)n1)c1ncc(F)cc1,328.09144,[M+H]+,20.0,test,O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cn1
521971,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,326.07689,[M-H]-,20.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
521972,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,326.07689,[M-H]-,20.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
521973,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,326.07689,[M-H]-,45.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
521974,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,326.07689,[M-H]-,60.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
521975,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,326.07689,[M-H]-,20.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
521976,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,326.07689,[M-H]-,45.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
521977,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,326.07689,[M-H]-,20.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
521978,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,326.07689,[M-H]-,60.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
521979,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,326.07689,[M-H]-,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521980,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,326.07689,[M-H]-,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521981,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,326.07689,[M-H]-,60.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521982,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,326.07689,[M-H]-,15.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521983,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,326.07689,[M-H]-,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521984,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,362.05356,[M+Cl]-,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521985,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,362.05356,[M+Cl]-,15.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521986,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,362.05356,[M+Cl]-,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521987,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,372.08236,[M+FA]-,15.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521988,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,372.08236,[M+FA]-,15.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521989,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,372.08236,[M+FA]-,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521990,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,372.08236,[M+FA]-,60.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521991,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,372.08236,[M+FA]-,15.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521992,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,328.09144,[M+H]+,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521993,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,328.09144,[M+H]+,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521994,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,328.09144,[M+H]+,30.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521995,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,328.09144,[M+H]+,60.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521996,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,328.09144,[M+H]+,15.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521997,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,328.09144,[M+H]+,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521998,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,328.09144,[M+H]+,60.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
521999,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F,328.09144,[M+H]+,20.0,test,O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F
522000,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,328.09144,[M+H]+,20.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
522001,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,328.09144,[M+H]+,20.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
522002,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,328.09144,[M+H]+,45.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
522003,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,328.09144,[M+H]+,60.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
522004,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1,328.09144,[M+H]+,20.0,test,Cc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
522005,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21,328.09144,[M+H]+,20.0,test,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
522006,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21,328.09144,[M+H]+,20.0,test,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
522007,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21,328.09144,[M+H]+,45.0,test,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
522008,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21,328.09144,[M+H]+,60.0,test,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
522009,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21,328.09144,[M+H]+,20.0,test,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
522010,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21,328.09144,[M+H]+,60.0,test,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
522011,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21,328.09144,[M+H]+,45.0,test,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
522012,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21,328.09144,[M+H]+,20.0,test,O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
522013,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1,328.09144,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1
522014,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1,328.09144,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1
522015,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1,328.09144,[M+H]+,45.0,test,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1
522016,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1,328.09144,[M+H]+,60.0,test,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1
522017,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1,328.09144,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1
522018,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,330.07833,[M-H]-,15.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522019,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,330.07833,[M-H]-,15.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522020,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,330.07833,[M-H]-,20.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522021,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,330.07833,[M-H]-,60.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522022,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,330.07833,[M-H]-,15.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522023,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,332.09288,[M+H]+,20.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522024,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,332.09288,[M+H]+,20.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522025,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,332.09288,[M+H]+,60.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522026,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,332.09288,[M+H]+,30.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522027,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F,332.09288,[M+H]+,20.0,test,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F
522028,O=C(O)c1c(O)ccc(Nc2nc(Nc3ccccc3)ncc2)c1,321.09931,[M-H]-,20.0,test,O=C(O)c1cc(Nc2ccnc(Nc3ccccc3)n2)ccc1O
522029,O=C(O)c1c(O)ccc(Nc2nc(Nc3ccccc3)ncc2)c1,321.09931,[M-H]-,20.0,test,O=C(O)c1cc(Nc2ccnc(Nc3ccccc3)n2)ccc1O
522030,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,321.09931,[M-H]-,20.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522031,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,321.09931,[M-H]-,20.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522032,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,321.09931,[M-H]-,60.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522033,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,321.09931,[M-H]-,30.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522034,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,321.09931,[M-H]-,20.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522035,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,305.10331,[M+H-H2O]+,60.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522036,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,305.10331,[M+H-H2O]+,60.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522037,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,305.10331,[M+H-H2O]+,60.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522038,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,305.10331,[M+H-H2O]+,60.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522039,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,323.11387,[M+H]+,20.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522040,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,323.11387,[M+H]+,20.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522041,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,323.11387,[M+H]+,60.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522042,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,323.11387,[M+H]+,20.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522043,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,323.11387,[M+H]+,45.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522044,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,323.11387,[M+H]+,60.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522045,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,323.11387,[M+H]+,20.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522046,O=C(O)c1ccccc1Nc1nc(Nc2cc(O)ccc2)ncc1,323.11387,[M+H]+,45.0,test,O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
522047,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1,321.09931,[M-H]-,20.0,test,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1
522048,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1,321.09931,[M-H]-,20.0,test,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1
522049,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1,321.09931,[M-H]-,45.0,test,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1
522050,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1,321.09931,[M-H]-,60.0,test,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1
522051,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1,321.09931,[M-H]-,20.0,test,COc1cc(OC)cc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c1
522052,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,321.09931,[M-H]-,20.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522053,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,321.09931,[M-H]-,20.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522054,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,321.09931,[M-H]-,60.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522055,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,321.09931,[M-H]-,30.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522056,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,321.09931,[M-H]-,20.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522057,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,321.09931,[M-H]-,30.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522058,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,321.09931,[M-H]-,20.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522059,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,321.09931,[M-H]-,60.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522060,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1,323.11387,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
522061,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1,323.11387,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
522062,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1,323.11387,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
522063,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1,323.11387,[M+H]+,15.0,test,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
522064,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1,323.11387,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
522065,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1,323.11387,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
522066,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1,323.11387,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
522067,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1,323.11387,[M+H]+,15.0,test,COC(=O)c1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
522068,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1,323.11387,[M+H]+,20.0,test,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1
522069,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1,323.11387,[M+H]+,20.0,test,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1
522070,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1,323.11387,[M+H]+,30.0,test,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1
522071,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1,323.11387,[M+H]+,20.0,test,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1
522072,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1,323.11387,[M+H]+,30.0,test,Cn1cccc1-c1noc(CNC(=O)c2cc3ccccc3o2)n1
522073,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,323.11387,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522074,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,323.11387,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522075,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,323.11387,[M+H]+,30.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522076,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,323.11387,[M+H]+,60.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522077,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,323.11387,[M+H]+,15.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522078,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,323.11387,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522079,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,323.11387,[M+H]+,60.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522080,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1,323.11387,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1
522081,CC(C)Oc1cc2c(cc1)c(=O)c1c(ccc(C(=O)O)c1)o2,299.0914,[M+H]+,20.0,test,CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1
522082,CC(C)Oc1cc2c(cc1)c(=O)c1c(ccc(C(=O)O)c1)o2,299.0914,[M+H]+,20.0,test,CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1
522083,CC(C)Oc1cc2c(cc1)c(=O)c1c(ccc(C(=O)O)c1)o2,299.0914,[M+H]+,60.0,test,CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1
522084,CC(C)Oc1cc2c(cc1)c(=O)c1c(ccc(C(=O)O)c1)o2,299.0914,[M+H]+,30.0,test,CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1
522085,CC(C)Oc1cc2c(cc1)c(=O)c1c(ccc(C(=O)O)c1)o2,299.0914,[M+H]+,20.0,test,CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1
522086,COc1c(OC)c2c(c(O)c1)c(=O)cc(-c1ccccc1)o2,299.0914,[M+H]+,20.0,test,COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC
522087,COc1c(OC)c2c(c(O)c1)c(=O)cc(-c1ccccc1)o2,299.0914,[M+H]+,20.0,test,COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC
522088,COc1c(OC)c2c(c(O)c1)c(=O)cc(-c1ccccc1)o2,299.0914,[M+H]+,60.0,test,COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC
522089,COc1c(OC)c2c(c(O)c1)c(=O)cc(-c1ccccc1)o2,299.0914,[M+H]+,20.0,test,COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC
522090,COc1c(OC)c2c(c(O)c1)c(=O)cc(-c1ccccc1)o2,299.0914,[M+H]+,45.0,test,COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC
522091,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,299.0914,[M+H]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522092,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,299.0914,[M+H]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522093,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,299.0914,[M+H]+,60.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522094,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,299.0914,[M+H]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522095,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,299.0914,[M+H]+,45.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522096,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,299.0914,[M+H]+,60.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522097,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,299.0914,[M+H]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522098,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,299.0914,[M+H]+,45.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522099,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,321.07334,[M+Na]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522100,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,321.07334,[M+Na]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522101,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,321.07334,[M+Na]+,60.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522102,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,321.07334,[M+Na]+,30.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522103,COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1,321.07334,[M+Na]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC
522104,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1,299.0914,[M+H]+,20.0,test,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1
522105,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1,299.0914,[M+H]+,20.0,test,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1
522106,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1,299.0914,[M+H]+,60.0,test,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1
522107,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1,299.0914,[M+H]+,20.0,test,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1
522108,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1,299.0914,[M+H]+,60.0,test,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1
522109,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1,299.0914,[M+H]+,20.0,test,COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1
522110,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,299.0914,[M+H]+,45.0,test,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
522111,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,299.0914,[M+H]+,45.0,test,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
522112,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,299.0914,[M+H]+,45.0,test,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
522113,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,299.0914,[M+H]+,20.0,test,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
522114,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,299.0914,[M+H]+,60.0,test,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
522115,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,299.0914,[M+H]+,20.0,test,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
522116,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,299.0914,[M+H]+,45.0,test,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
522117,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,299.0914,[M+H]+,60.0,test,COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
522118,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,420.96856,[M-H]-,20.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522119,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,420.96856,[M-H]-,20.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522120,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,420.96856,[M-H]-,60.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522121,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,420.96856,[M-H]-,30.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522122,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,420.96856,[M-H]-,20.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522123,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,420.96856,[M-H]-,60.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522124,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,420.96856,[M-H]-,30.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522125,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,420.96856,[M-H]-,20.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522126,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,422.98311,[M+H]+,20.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522127,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,422.98311,[M+H]+,20.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522128,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,422.98311,[M+H]+,60.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522129,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,422.98311,[M+H]+,20.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522130,Cc1ccc(-c2c(CNS(=O)(=O)c3ccc(Br)s3)cccn2)cc1,422.98311,[M+H]+,45.0,test,Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cc1
522131,O=C1CCc2c(ccc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)c2)N1,420.98631,[M-H]-,20.0,test,O=C1CCc2cc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)ccc2N1
522132,O=C1CCc2c(ccc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)c2)N1,420.98631,[M-H]-,20.0,test,O=C1CCc2cc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)ccc2N1
522133,O=C1CCc2c(ccc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)c2)N1,420.98631,[M-H]-,60.0,test,O=C1CCc2cc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)ccc2N1
522134,O=C1CCc2c(ccc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)c2)N1,420.98631,[M-H]-,20.0,test,O=C1CCc2cc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)ccc2N1
522135,O=C1CCc2c(ccc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)c2)N1,420.98631,[M-H]-,45.0,test,O=C1CCc2cc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)ccc2N1
522136,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,420.98631,[M-H]-,20.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522137,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,420.98631,[M-H]-,20.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522138,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,420.98631,[M-H]-,60.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522139,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,420.98631,[M-H]-,30.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522140,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,420.98631,[M-H]-,20.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522141,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,423.00087,[M+H]+,30.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522142,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,423.00087,[M+H]+,60.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522143,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,423.00087,[M+H]+,20.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522144,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1,423.00087,[M+H]+,30.0,test,O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
522145,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,417.05023,[M-H]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522146,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,417.05023,[M-H]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522147,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,417.05023,[M-H]-,60.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522148,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,417.05023,[M-H]-,30.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522149,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,417.05023,[M-H]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522150,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,417.05023,[M-H]-,30.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522151,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,417.05023,[M-H]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522152,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,417.05023,[M-H]-,60.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522153,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,453.0269,[M+Cl]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522154,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,453.0269,[M+Cl]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522155,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,453.0269,[M+Cl]-,60.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522156,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,453.0269,[M+Cl]-,15.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522157,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,453.0269,[M+Cl]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522158,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,463.0557,[M+FA]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522159,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,463.0557,[M+FA]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522160,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,463.0557,[M+FA]-,60.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522161,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,463.0557,[M+FA]-,15.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522162,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,463.0557,[M+FA]-,20.0,test,O=C(Nc1cccc(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
522163,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,357.05823,[M-H]-,20.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522164,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,357.05823,[M-H]-,20.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522165,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,357.05823,[M-H]-,60.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522166,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,357.05823,[M-H]-,30.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522167,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,357.05823,[M-H]-,20.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522168,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,359.07279,[M+H]+,20.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522169,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,359.07279,[M+H]+,20.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522170,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,359.07279,[M+H]+,60.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522171,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,359.07279,[M+H]+,20.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522172,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,359.07279,[M+H]+,45.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522173,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,359.07279,[M+H]+,60.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522174,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,359.07279,[M+H]+,20.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522175,Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)ncc1,359.07279,[M+H]+,45.0,test,Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1
522176,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,357.05823,[M-H]-,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522177,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,357.05823,[M-H]-,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522178,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,357.05823,[M-H]-,60.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522179,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,357.05823,[M-H]-,15.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522180,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,357.05823,[M-H]-,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522181,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,403.06371,[M+FA]-,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522182,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,403.06371,[M+FA]-,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522183,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,403.06371,[M+FA]-,60.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522184,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,403.06371,[M+FA]-,15.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522185,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,403.06371,[M+FA]-,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522186,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,359.07279,[M+H]+,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522187,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,359.07279,[M+H]+,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522188,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,359.07279,[M+H]+,60.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522189,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,359.07279,[M+H]+,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522190,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,359.07279,[M+H]+,45.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522191,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,359.07279,[M+H]+,60.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522192,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,359.07279,[M+H]+,20.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522193,O=C(NCCSc1ccccc1)c1c(Cl)ccc(-n2cnnc2)c1,359.07279,[M+H]+,45.0,test,O=C(NCCSc1ccccc1)c1cc(-n2cnnc2)ccc1Cl
522194,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,357.05823,[M-H]-,20.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522195,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,357.05823,[M-H]-,20.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522196,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,357.05823,[M-H]-,45.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522197,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,357.05823,[M-H]-,60.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522198,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,357.05823,[M-H]-,20.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522199,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,357.05823,[M-H]-,45.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522200,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,357.05823,[M-H]-,20.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522201,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,357.05823,[M-H]-,60.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522202,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,359.07279,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522203,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,359.07279,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522204,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,359.07279,[M+H]+,60.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522205,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,359.07279,[M+H]+,30.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522206,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1,359.07279,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1
522207,CC(c1c(F)ccc(F)c1)N(C)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)[nH]c2=O,394.06786,[M-H]-,20.0,test,CC(c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
522208,CC(c1c(F)ccc(F)c1)N(C)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)[nH]c2=O,394.06786,[M-H]-,20.0,test,CC(c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
522209,CC(c1c(F)ccc(F)c1)N(C)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)[nH]c2=O,394.06786,[M-H]-,60.0,test,CC(c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
522210,CC(c1c(F)ccc(F)c1)N(C)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)[nH]c2=O,394.06786,[M-H]-,20.0,test,CC(c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
522211,CC(c1c(F)ccc(F)c1)N(C)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)[nH]c2=O,394.06786,[M-H]-,45.0,test,CC(c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
522212,CC(c1c(F)ccc(F)c1)N(C)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)[nH]c2=O,394.06786,[M-H]-,60.0,test,CC(c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
522213,CC(c1c(F)ccc(F)c1)N(C)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)[nH]c2=O,394.06786,[M-H]-,20.0,test,CC(c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
522214,CC(c1c(F)ccc(F)c1)N(C)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)[nH]c2=O,394.06786,[M-H]-,45.0,test,CC(c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
522215,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,329.07655,[M-H]-,20.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522216,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,329.07655,[M-H]-,20.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522217,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,329.07655,[M-H]-,60.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522218,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,329.07655,[M-H]-,20.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522219,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,329.07655,[M-H]-,60.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522220,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,331.0911,[M+H]+,20.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522221,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,331.0911,[M+H]+,20.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522222,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,331.0911,[M+H]+,60.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522223,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,331.0911,[M+H]+,20.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522224,O=c1[nH]c(C2CCOCC2)nc2c1sc(-c1ccc(F)cc1)c2,331.0911,[M+H]+,45.0,test,O=c1[nH]c(C2CCOCC2)nc2cc(-c3ccc(F)cc3)sc12
522225,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12,331.0911,[M+H]+,15.0,test,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12
522226,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12,331.0911,[M+H]+,15.0,test,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12
522227,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12,331.0911,[M+H]+,20.0,test,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12
522228,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12,331.0911,[M+H]+,60.0,test,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12
522229,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12,331.0911,[M+H]+,15.0,test,O=C(NCC(CO)c1ccc(F)cc1)c1nsc2ccccc12
522230,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,313.08164,[M-H]-,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522231,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,313.08164,[M-H]-,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522232,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,313.08164,[M-H]-,60.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522233,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,313.08164,[M-H]-,30.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522234,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,313.08164,[M-H]-,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522235,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,313.08164,[M-H]-,30.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522236,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,313.08164,[M-H]-,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522237,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,313.08164,[M-H]-,60.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522238,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,349.05831,[M+Cl]-,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522239,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,349.05831,[M+Cl]-,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522240,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,349.05831,[M+Cl]-,60.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522241,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,349.05831,[M+Cl]-,15.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522242,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,349.05831,[M+Cl]-,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522243,Fc1ccccc1COc1ccccc1CNc1nccs1,315.09619,[M+H]+,20.0,test,Fc1ccccc1COc1ccccc1CNc1nccs1
522244,Fc1ccccc1COc1ccccc1CNc1nccs1,315.09619,[M+H]+,20.0,test,Fc1ccccc1COc1ccccc1CNc1nccs1
522245,Fc1ccccc1COc1ccccc1CNc1nccs1,315.09619,[M+H]+,60.0,test,Fc1ccccc1COc1ccccc1CNc1nccs1
522246,Fc1ccccc1COc1ccccc1CNc1nccs1,315.09619,[M+H]+,30.0,test,Fc1ccccc1COc1ccccc1CNc1nccs1
522247,Fc1ccccc1COc1ccccc1CNc1nccs1,315.09619,[M+H]+,20.0,test,Fc1ccccc1COc1ccccc1CNc1nccs1
522248,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3,315.09619,[M+H]+,20.0,test,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3
522249,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3,315.09619,[M+H]+,20.0,test,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3
522250,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3,315.09619,[M+H]+,60.0,test,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3
522251,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3,315.09619,[M+H]+,30.0,test,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3
522252,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3,315.09619,[M+H]+,20.0,test,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3
522253,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3,315.09619,[M+H]+,45.0,test,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3
522254,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3,315.09619,[M+H]+,60.0,test,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3
522255,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3,315.09619,[M+H]+,20.0,test,O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCCC3
522256,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,315.09619,[M+H]+,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522257,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,315.09619,[M+H]+,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522258,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,315.09619,[M+H]+,60.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522259,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,315.09619,[M+H]+,15.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522260,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1,315.09619,[M+H]+,20.0,test,Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1
522261,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1,327.12518,[M+H]+,20.0,test,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1
522262,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1,327.12518,[M+H]+,20.0,test,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1
522263,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1,327.12518,[M+H]+,60.0,test,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1
522264,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1,327.12518,[M+H]+,15.0,test,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1
522265,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1,327.12518,[M+H]+,20.0,test,COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1
522266,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,325.11063,[M-H]-,20.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522267,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,325.11063,[M-H]-,20.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522268,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,325.11063,[M-H]-,60.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522269,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,325.11063,[M-H]-,30.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522270,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,325.11063,[M-H]-,20.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522271,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,325.11063,[M-H]-,30.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522272,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,325.11063,[M-H]-,20.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522273,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,325.11063,[M-H]-,60.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522274,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1,325.11063,[M-H]-,20.0,test,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1
522275,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1,325.11063,[M-H]-,20.0,test,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1
522276,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1,325.11063,[M-H]-,45.0,test,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1
522277,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1,325.11063,[M-H]-,60.0,test,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1
522278,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1,325.11063,[M-H]-,20.0,test,O=C(Cc1ccccc1F)N1CCc2c(nc3cc[nH]n3c2=O)C1
522279,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,327.12518,[M+H]+,20.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522280,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,327.12518,[M+H]+,20.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522281,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,327.12518,[M+H]+,60.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522282,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,327.12518,[M+H]+,30.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522283,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,327.12518,[M+H]+,20.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522284,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,327.12518,[M+H]+,30.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522285,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,327.12518,[M+H]+,20.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522286,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1,327.12518,[M+H]+,60.0,test,O=C(Cc1ccccc1F)NCC(=O)Nc1nc2ccccc2[nH]1
522287,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1,327.12518,[M+H]+,20.0,test,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1
522288,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1,327.12518,[M+H]+,20.0,test,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1
522289,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1,327.12518,[M+H]+,60.0,test,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1
522290,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1,327.12518,[M+H]+,15.0,test,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1
522291,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1,327.12518,[M+H]+,20.0,test,N#Cc1cccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1
522292,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,327.12518,[M+H]+,20.0,test,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1
522293,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,327.12518,[M+H]+,20.0,test,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1
522294,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,327.12518,[M+H]+,60.0,test,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1
522295,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,327.12518,[M+H]+,30.0,test,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1
522296,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,327.12518,[M+H]+,20.0,test,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1
522297,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,327.12518,[M+H]+,60.0,test,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1
522298,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,327.12518,[M+H]+,30.0,test,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1
522299,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,327.12518,[M+H]+,20.0,test,O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1
522300,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522301,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522302,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522303,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522304,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522305,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522306,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522307,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522308,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,360.07566,[M+Cl]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522309,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,360.07566,[M+Cl]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522310,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,360.07566,[M+Cl]-,15.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522311,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,370.10446,[M+FA]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522312,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,370.10446,[M+FA]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522313,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,370.10446,[M+FA]-,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522314,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,370.10446,[M+FA]-,15.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522315,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,370.10446,[M+FA]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522316,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522317,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522318,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522319,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522320,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522321,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522322,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522323,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522324,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522325,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522326,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522327,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522328,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522329,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522330,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522331,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522332,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522333,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522334,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522335,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522336,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,324.09898,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522337,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522338,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522339,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522340,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522341,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522342,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522343,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522344,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522345,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,15.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522346,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,15.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522347,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522348,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522349,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,15.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522350,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,348.09547,[M+Na]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522351,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,348.09547,[M+Na]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522352,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,348.09547,[M+Na]+,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522353,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,348.09547,[M+Na]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522354,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522355,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522356,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522357,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522358,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522359,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522360,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522361,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,326.11353,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522362,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522363,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522364,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522365,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,15.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522366,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,343.14008,[M+NH4]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522367,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,348.09547,[M+Na]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522368,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,348.09547,[M+Na]+,60.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522369,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,348.09547,[M+Na]+,30.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522370,Cc1ccc(CC(=O)Nc2cc(-n3ccc(C(=O)O)n3)ccc2)o1,348.09547,[M+Na]+,20.0,test,Cc1ccc(CC(=O)Nc2cccc(-n3ccc(C(=O)O)n3)c2)o1
522371,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,324.09898,[M-H]-,20.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522372,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,324.09898,[M-H]-,20.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522373,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,324.09898,[M-H]-,45.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522374,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,324.09898,[M-H]-,60.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522375,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,324.09898,[M-H]-,20.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522376,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,324.09898,[M-H]-,20.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522377,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,324.09898,[M-H]-,45.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522378,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,324.09898,[M-H]-,60.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522379,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,324.09898,[M-H]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522380,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,324.09898,[M-H]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522381,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,324.09898,[M-H]-,60.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522382,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,324.09898,[M-H]-,30.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522383,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,324.09898,[M-H]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522384,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,324.09898,[M-H]-,30.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522385,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,324.09898,[M-H]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522386,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,324.09898,[M-H]-,60.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522387,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,360.07566,[M+Cl]-,15.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522388,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,360.07566,[M+Cl]-,15.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522389,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,360.07566,[M+Cl]-,20.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522390,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,360.07566,[M+Cl]-,60.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522391,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,360.07566,[M+Cl]-,15.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522392,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,324.09898,[M-H]-,20.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522393,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,324.09898,[M-H]-,20.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522394,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,324.09898,[M-H]-,60.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522395,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,324.09898,[M-H]-,30.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522396,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,324.09898,[M-H]-,20.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522397,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,370.10446,[M+FA]-,20.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522398,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,370.10446,[M+FA]-,20.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522399,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,370.10446,[M+FA]-,60.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522400,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,370.10446,[M+FA]-,15.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522401,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,370.10446,[M+FA]-,20.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522402,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1,326.11353,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1
522403,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1,326.11353,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1
522404,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1,326.11353,[M+H]+,45.0,test,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1
522405,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1,326.11353,[M+H]+,60.0,test,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1
522406,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1,326.11353,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)c(OC)c1
522407,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,326.11353,[M+H]+,30.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522408,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,326.11353,[M+H]+,30.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522409,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,326.11353,[M+H]+,20.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522410,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,326.11353,[M+H]+,60.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522411,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,326.11353,[M+H]+,30.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522412,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,326.11353,[M+H]+,60.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522413,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,326.11353,[M+H]+,20.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522414,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1,326.11353,[M+H]+,30.0,test,Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1
522415,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC,326.11353,[M+H]+,20.0,test,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC
522416,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC,326.11353,[M+H]+,20.0,test,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC
522417,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC,326.11353,[M+H]+,60.0,test,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC
522418,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC,326.11353,[M+H]+,30.0,test,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC
522419,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC,326.11353,[M+H]+,20.0,test,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC
522420,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC,326.11353,[M+H]+,60.0,test,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC
522421,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC,326.11353,[M+H]+,30.0,test,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC
522422,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC,326.11353,[M+H]+,20.0,test,COc1ccc(-n2nnc(C(=O)O)c2-c2ccccc2)cc1OC
522423,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1,326.11353,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1
522424,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1,326.11353,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1
522425,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1,326.11353,[M+H]+,60.0,test,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1
522426,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1,326.11353,[M+H]+,30.0,test,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1
522427,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1,326.11353,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1
522428,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1,326.11353,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1
522429,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1,326.11353,[M+H]+,60.0,test,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1
522430,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1,326.11353,[M+H]+,30.0,test,Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccco1
522431,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21,326.11353,[M+H]+,15.0,test,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
522432,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21,326.11353,[M+H]+,15.0,test,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
522433,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21,326.11353,[M+H]+,20.0,test,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
522434,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21,326.11353,[M+H]+,60.0,test,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
522435,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21,326.11353,[M+H]+,15.0,test,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
522436,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,326.11353,[M+H]+,20.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522437,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,326.11353,[M+H]+,20.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522438,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,326.11353,[M+H]+,60.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522439,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,326.11353,[M+H]+,30.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522440,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1,326.11353,[M+H]+,20.0,test,CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1
522441,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O,326.11353,[M+H]+,30.0,test,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O
522442,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O,326.11353,[M+H]+,30.0,test,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O
522443,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O,326.11353,[M+H]+,20.0,test,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O
522444,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O,326.11353,[M+H]+,60.0,test,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O
522445,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O,326.11353,[M+H]+,30.0,test,COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O
522446,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,326.11353,[M+H]+,20.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522447,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,326.11353,[M+H]+,20.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522448,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,326.11353,[M+H]+,30.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522449,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,326.11353,[M+H]+,60.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522450,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,326.11353,[M+H]+,20.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522451,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,326.11353,[M+H]+,45.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522452,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,326.11353,[M+H]+,60.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522453,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,326.11353,[M+H]+,20.0,test,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
522454,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1,358.05495,[M+H]+,20.0,test,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
522455,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1,358.05495,[M+H]+,20.0,test,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
522456,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1,358.05495,[M+H]+,60.0,test,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
522457,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1,358.05495,[M+H]+,20.0,test,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
522458,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1,358.05495,[M+H]+,45.0,test,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
522459,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1,358.05495,[M+H]+,60.0,test,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
522460,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1,358.05495,[M+H]+,20.0,test,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
522461,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1,358.05495,[M+H]+,45.0,test,CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
522462,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,432.01353,[M-H]-,20.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522463,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,432.01353,[M-H]-,20.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522464,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,432.01353,[M-H]-,60.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522465,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,432.01353,[M-H]-,30.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522466,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,432.01353,[M-H]-,20.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522467,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,434.02808,[M+H]+,20.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522468,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,434.02808,[M+H]+,20.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522469,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,434.02808,[M+H]+,60.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522470,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,434.02808,[M+H]+,30.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522471,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1,434.02808,[M+H]+,20.0,test,CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1
522472,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21,346.04372,[M+H]+,20.0,test,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21
522473,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21,346.04372,[M+H]+,20.0,test,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21
522474,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21,346.04372,[M+H]+,60.0,test,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21
522475,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21,346.04372,[M+H]+,30.0,test,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21
522476,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21,346.04372,[M+H]+,20.0,test,O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21
522477,COc1cc(OC)c(N2C(=O)CSC2c2cc(Br)ccc2)cc1,394.0107,[M+H]+,20.0,test,COc1ccc(N2C(=O)CSC2c2cccc(Br)c2)c(OC)c1
522478,COc1cc(OC)c(N2C(=O)CSC2c2cc(Br)ccc2)cc1,394.0107,[M+H]+,20.0,test,COc1ccc(N2C(=O)CSC2c2cccc(Br)c2)c(OC)c1
522479,COc1cc(OC)c(N2C(=O)CSC2c2cc(Br)ccc2)cc1,394.0107,[M+H]+,60.0,test,COc1ccc(N2C(=O)CSC2c2cccc(Br)c2)c(OC)c1
522480,COc1cc(OC)c(N2C(=O)CSC2c2cc(Br)ccc2)cc1,394.0107,[M+H]+,30.0,test,COc1ccc(N2C(=O)CSC2c2cccc(Br)c2)c(OC)c1
522481,COc1cc(OC)c(N2C(=O)CSC2c2cc(Br)ccc2)cc1,394.0107,[M+H]+,20.0,test,COc1ccc(N2C(=O)CSC2c2cccc(Br)c2)c(OC)c1
522482,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,360.07566,[M-H]-,20.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522483,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,360.07566,[M-H]-,20.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522484,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,360.07566,[M-H]-,60.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522485,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,360.07566,[M-H]-,30.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522486,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,360.07566,[M-H]-,20.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522487,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,360.07566,[M-H]-,30.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522488,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,360.07566,[M-H]-,20.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522489,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,360.07566,[M-H]-,60.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522490,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,362.09021,[M+H]+,20.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522491,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,362.09021,[M+H]+,20.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522492,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,362.09021,[M+H]+,30.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522493,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,362.09021,[M+H]+,60.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522494,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,362.09021,[M+H]+,15.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522495,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,362.09021,[M+H]+,20.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522496,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,362.09021,[M+H]+,20.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522497,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O,362.09021,[M+H]+,60.0,test,COC(=O)c1c(NCc2c(C)noc2C)c2cccc(Cl)c2[nH]c1=O
522498,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1,326.1167,[M+H]+,20.0,test,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1
522499,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1,326.1167,[M+H]+,20.0,test,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1
522500,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1,326.1167,[M+H]+,45.0,test,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1
522501,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1,326.1167,[M+H]+,60.0,test,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1
522502,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1,326.1167,[M+H]+,20.0,test,Clc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1
522503,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,382.10201,[M-H]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522504,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,382.10201,[M-H]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522505,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,382.10201,[M-H]-,60.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522506,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,382.10201,[M-H]-,30.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522507,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,382.10201,[M-H]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522508,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,382.10201,[M-H]-,60.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522509,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,382.10201,[M-H]-,30.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522510,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,382.10201,[M-H]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522511,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,418.07869,[M+Cl]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522512,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,418.07869,[M+Cl]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522513,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,418.07869,[M+Cl]-,60.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522514,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,418.07869,[M+Cl]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522515,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,428.10749,[M+FA]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522516,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,428.10749,[M+FA]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522517,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,428.10749,[M+FA]-,60.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522518,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,428.10749,[M+FA]-,15.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522519,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,428.10749,[M+FA]-,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522520,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,382.10201,[M-H]-,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522521,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,382.10201,[M-H]-,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522522,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,382.10201,[M-H]-,60.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522523,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,382.10201,[M-H]-,15.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522524,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,382.10201,[M-H]-,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522525,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,382.10201,[M-H]-,60.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522526,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,382.10201,[M-H]-,15.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522527,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,382.10201,[M-H]-,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522528,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,428.10749,[M+FA]-,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522529,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,428.10749,[M+FA]-,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522530,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,428.10749,[M+FA]-,60.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522531,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,428.10749,[M+FA]-,15.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522532,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,428.10749,[M+FA]-,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522533,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,384.11657,[M+H]+,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522534,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,384.11657,[M+H]+,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522535,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,384.11657,[M+H]+,60.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522536,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,384.11657,[M+H]+,15.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522537,O=C(O)c1c(C(F)(F)F)n(-c2cccc(NC(=O)C3CCCOC3)c2)nc1,384.11657,[M+H]+,20.0,test,O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCOC3)c2)c1C(F)(F)F
522538,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,384.11657,[M+H]+,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522539,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,384.11657,[M+H]+,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522540,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,384.11657,[M+H]+,60.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522541,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,384.11657,[M+H]+,30.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522542,COC(=O)c1cn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)nc1,384.11657,[M+H]+,20.0,test,COC(=O)c1cnn(CC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1
522543,C[C@H]1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,20.0,test,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522544,C[C@H]1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,20.0,test,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522545,C[C@H]1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,60.0,test,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522546,C[C@H]1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,15.0,test,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522547,C[C@H]1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,20.0,test,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522548,CC1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,20.0,test,CC1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522549,CC1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,20.0,test,CC1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522550,CC1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,60.0,test,CC1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522551,CC1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,30.0,test,CC1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522552,CC1COC2(CCN(c3nc(=O)c4c(s3)c([N+](=O)[O-])cc(C(F)(F)F)c4)CC2)O1,432.08355,[M+H]+,20.0,test,CC1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
522553,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12,396.11004,[M+H]+,20.0,test,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12
522554,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12,396.11004,[M+H]+,20.0,test,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12
522555,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12,396.11004,[M+H]+,60.0,test,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12
522556,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12,396.11004,[M+H]+,20.0,test,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12
522557,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12,396.11004,[M+H]+,45.0,test,Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n12
522558,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1,396.11004,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1
522559,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1,396.11004,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1
522560,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1,396.11004,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1
522561,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1,396.11004,[M+H]+,30.0,test,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1
522562,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1,396.11004,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1
522563,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1,396.11004,[M+H]+,30.0,test,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1
522564,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1,396.11004,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1
522565,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1,396.11004,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)s1
522566,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,296.12046,[M-H]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522567,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,296.12046,[M-H]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522568,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,296.12046,[M-H]-,60.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522569,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,296.12046,[M-H]-,30.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522570,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,296.12046,[M-H]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522571,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,296.12046,[M-H]-,60.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522572,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,296.12046,[M-H]-,30.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522573,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,296.12046,[M-H]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522574,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,332.09714,[M+Cl]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522575,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,332.09714,[M+Cl]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522576,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,332.09714,[M+Cl]-,15.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522577,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,332.09714,[M+Cl]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522578,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,342.12594,[M+FA]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522579,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,342.12594,[M+FA]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522580,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,342.12594,[M+FA]-,60.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522581,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,342.12594,[M+FA]-,15.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522582,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,342.12594,[M+FA]-,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522583,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,298.13502,[M+H]+,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522584,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,298.13502,[M+H]+,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522585,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,298.13502,[M+H]+,60.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522586,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,298.13502,[M+H]+,15.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522587,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,298.13502,[M+H]+,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522588,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,298.13502,[M+H]+,60.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522589,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,298.13502,[M+H]+,15.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522590,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1,298.13502,[M+H]+,20.0,test,CC(Cn1ncc2ccccc21)C(=O)Nc1ccc(F)cc1
522591,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,298.13502,[M+H]+,20.0,test,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
522592,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,298.13502,[M+H]+,20.0,test,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
522593,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,298.13502,[M+H]+,60.0,test,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
522594,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,298.13502,[M+H]+,30.0,test,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
522595,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,298.13502,[M+H]+,20.0,test,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
522596,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,298.13502,[M+H]+,20.0,test,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
522597,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,298.13502,[M+H]+,60.0,test,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
522598,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,298.13502,[M+H]+,30.0,test,CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
522599,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,344.08745,[M-H]-,20.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522600,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,344.08745,[M-H]-,20.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522601,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,344.08745,[M-H]-,60.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522602,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,344.08745,[M-H]-,15.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522603,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,344.08745,[M-H]-,20.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522604,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,344.08745,[M-H]-,60.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522605,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,344.08745,[M-H]-,15.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522606,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,344.08745,[M-H]-,20.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522607,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,346.102,[M+H]+,20.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522608,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,346.102,[M+H]+,20.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522609,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,346.102,[M+H]+,60.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522610,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,346.102,[M+H]+,15.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522611,N#Cc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)c(F)cc1,346.102,[M+H]+,20.0,test,N#Cc1ccc(F)c(CSc2nc(O)cc(=O)n2C2CCCC2)c1
522612,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1,346.102,[M+H]+,20.0,test,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1
522613,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1,346.102,[M+H]+,20.0,test,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1
522614,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1,346.102,[M+H]+,60.0,test,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1
522615,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1,346.102,[M+H]+,30.0,test,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1
522616,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1,346.102,[M+H]+,20.0,test,O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(C2CC2)C(=O)C1
522617,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522618,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522619,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,60.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522620,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,15.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522621,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522622,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522623,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522624,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,60.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522625,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,15.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522626,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522627,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522628,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522629,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,60.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522630,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,15.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522631,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522632,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,60.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522633,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,15.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522634,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522635,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522636,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522637,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,60.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522638,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,15.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522639,CNCc1cn(S(=O)(=O)c2cnccc2)c(-c2ccccc2F)c1,346.102,[M+H]+,20.0,test,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
522640,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,344.08745,[M-H]-,20.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522641,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,344.08745,[M-H]-,20.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522642,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,344.08745,[M-H]-,60.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522643,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,344.08745,[M-H]-,30.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522644,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,344.08745,[M-H]-,20.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522645,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,346.102,[M+H]+,20.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522646,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,346.102,[M+H]+,20.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522647,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,346.102,[M+H]+,60.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522648,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,346.102,[M+H]+,15.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522649,COc1c(F)cc(C(=O)NCC(c2cccs2)n2cccn2)cc1,346.102,[M+H]+,20.0,test,COc1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1F
522650,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,20.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522651,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,20.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522652,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,60.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522653,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,15.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522654,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,20.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522655,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,344.08745,[M-H]-,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522656,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,344.08745,[M-H]-,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522657,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,344.08745,[M-H]-,60.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522658,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,344.08745,[M-H]-,30.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522659,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,344.08745,[M-H]-,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522660,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,344.08745,[M-H]-,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522661,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,344.08745,[M-H]-,30.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522662,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,344.08745,[M-H]-,60.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522663,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,390.09293,[M+FA]-,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522664,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,390.09293,[M+FA]-,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522665,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,390.09293,[M+FA]-,60.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522666,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,390.09293,[M+FA]-,15.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522667,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,390.09293,[M+FA]-,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522668,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,390.09293,[M+FA]-,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522669,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,390.09293,[M+FA]-,60.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522670,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,390.09293,[M+FA]-,15.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522671,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,344.08745,[M-H]-,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522672,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,344.08745,[M-H]-,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522673,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,390.09293,[M+FA]-,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522674,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,390.09293,[M+FA]-,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522675,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,390.09293,[M+FA]-,60.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522676,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,390.09293,[M+FA]-,15.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522677,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,390.09293,[M+FA]-,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522678,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,390.09293,[M+FA]-,15.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522679,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,390.09293,[M+FA]-,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522680,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,390.09293,[M+FA]-,60.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522681,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C,346.102,[M+H]+,20.0,test,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C
522682,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C,346.102,[M+H]+,20.0,test,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C
522683,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C,346.102,[M+H]+,60.0,test,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C
522684,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C,346.102,[M+H]+,30.0,test,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C
522685,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C,346.102,[M+H]+,20.0,test,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C
522686,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C,346.102,[M+H]+,30.0,test,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C
522687,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C,346.102,[M+H]+,60.0,test,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C
522688,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C,346.102,[M+H]+,20.0,test,Cc1cnc2c(c1SCc1ccccc1F)c(=O)n(C)c(=O)n2C
522689,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,346.102,[M+H]+,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522690,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,346.102,[M+H]+,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522691,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,346.102,[M+H]+,45.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522692,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,346.102,[M+H]+,60.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522693,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1,346.102,[M+H]+,20.0,test,Cc1nc(-c2ccco2)sc1CNC(=O)NCc1ccc(F)cc1
522694,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,346.102,[M+H]+,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522695,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,346.102,[M+H]+,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522696,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,346.102,[M+H]+,45.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522697,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,346.102,[M+H]+,60.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522698,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1,346.102,[M+H]+,20.0,test,Cn1nccc1-c1ccc(CNC(=O)CSc2ccc(F)cc2)o1
522699,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,20.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522700,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,20.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522701,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,60.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522702,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,15.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522703,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1,346.102,[M+H]+,20.0,test,CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
522704,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc12,341.10667,[M+H]+,20.0,test,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21
522705,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc12,341.10667,[M+H]+,20.0,test,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21
522706,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc12,341.10667,[M+H]+,60.0,test,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21
522707,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc12,341.10667,[M+H]+,20.0,test,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21
522708,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc12,341.10667,[M+H]+,45.0,test,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21
522709,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc12,341.10667,[M+H]+,60.0,test,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21
522710,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc12,341.10667,[M+H]+,20.0,test,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21
522711,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc12,341.10667,[M+H]+,45.0,test,O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCn2ncnc21
522712,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,339.09212,[M-H]-,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522713,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,339.09212,[M-H]-,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522714,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,339.09212,[M-H]-,60.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522715,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,339.09212,[M-H]-,15.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522716,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,339.09212,[M-H]-,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522717,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,385.0976,[M+FA]-,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522718,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,385.0976,[M+FA]-,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522719,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,385.0976,[M+FA]-,60.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522720,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,385.0976,[M+FA]-,15.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522721,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,385.0976,[M+FA]-,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522722,Cc1nc(C(=O)Nc2cc3c(cc2)ncn(C2CC2)c3=O)c(C)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522723,Cc1nc(C(=O)Nc2cc3c(cc2)ncn(C2CC2)c3=O)c(C)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522724,Cc1nc(C(=O)Nc2cc3c(cc2)ncn(C2CC2)c3=O)c(C)s1,341.10667,[M+H]+,60.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522725,Cc1nc(C(=O)Nc2cc3c(cc2)ncn(C2CC2)c3=O)c(C)s1,341.10667,[M+H]+,15.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522726,Cc1nc(C(=O)Nc2cc3c(cc2)ncn(C2CC2)c3=O)c(C)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522727,Cc1nc(C(=O)Nc2cc3c(cc2)ncn(C2CC2)c3=O)c(C)s1,341.10667,[M+H]+,45.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522728,Cc1nc(C(=O)Nc2cc3c(cc2)ncn(C2CC2)c3=O)c(C)s1,341.10667,[M+H]+,60.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522729,Cc1nc(C(=O)Nc2cc3c(cc2)ncn(C2CC2)c3=O)c(C)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522730,COc1c(O)ccc(C2NN=C3SC=C(c4ccccc4)N3N2)c1,341.10667,[M+H]+,20.0,test,COc1cc(C2NN=C3SC=C(c4ccccc4)N3N2)ccc1O
522731,COc1c(O)ccc(C2NN=C3SC=C(c4ccccc4)N3N2)c1,341.10667,[M+H]+,20.0,test,COc1cc(C2NN=C3SC=C(c4ccccc4)N3N2)ccc1O
522732,COc1c(O)ccc(C2NN=C3SC=C(c4ccccc4)N3N2)c1,341.10667,[M+H]+,60.0,test,COc1cc(C2NN=C3SC=C(c4ccccc4)N3N2)ccc1O
522733,COc1c(O)ccc(C2NN=C3SC=C(c4ccccc4)N3N2)c1,341.10667,[M+H]+,30.0,test,COc1cc(C2NN=C3SC=C(c4ccccc4)N3N2)ccc1O
522734,COc1c(O)ccc(C2NN=C3SC=C(c4ccccc4)N3N2)c1,341.10667,[M+H]+,20.0,test,COc1cc(C2NN=C3SC=C(c4ccccc4)N3N2)ccc1O
522735,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,341.10667,[M+H]+,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522736,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,341.10667,[M+H]+,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522737,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,341.10667,[M+H]+,60.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522738,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,341.10667,[M+H]+,30.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522739,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1,341.10667,[M+H]+,20.0,test,Cc1csc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1
522740,Cc1nn(CC(=O)NC2CC2)c(=O)c2c1sc(-c1ccccc1)n2,341.10667,[M+H]+,15.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522741,Cc1nn(CC(=O)NC2CC2)c(=O)c2c1sc(-c1ccccc1)n2,341.10667,[M+H]+,15.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522742,Cc1nn(CC(=O)NC2CC2)c(=O)c2c1sc(-c1ccccc1)n2,341.10667,[M+H]+,20.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522743,Cc1nn(CC(=O)NC2CC2)c(=O)c2c1sc(-c1ccccc1)n2,341.10667,[M+H]+,60.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522744,Cc1nn(CC(=O)NC2CC2)c(=O)c2c1sc(-c1ccccc1)n2,341.10667,[M+H]+,15.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522745,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,339.09212,[M-H]-,15.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522746,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,339.09212,[M-H]-,15.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522747,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,339.09212,[M-H]-,20.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522748,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,339.09212,[M-H]-,60.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522749,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,339.09212,[M-H]-,15.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522750,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,339.09212,[M-H]-,20.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522751,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,339.09212,[M-H]-,20.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522752,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,339.09212,[M-H]-,60.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522753,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,339.09212,[M-H]-,30.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522754,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,339.09212,[M-H]-,20.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522755,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,339.09212,[M-H]-,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522756,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,339.09212,[M-H]-,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522757,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,339.09212,[M-H]-,45.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522758,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,339.09212,[M-H]-,60.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522759,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,339.09212,[M-H]-,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522760,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,339.09212,[M-H]-,20.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522761,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,339.09212,[M-H]-,20.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522762,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,339.09212,[M-H]-,45.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522763,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,339.09212,[M-H]-,60.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522764,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,339.09212,[M-H]-,20.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522765,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,339.09212,[M-H]-,45.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522766,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,339.09212,[M-H]-,60.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522767,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,339.09212,[M-H]-,20.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522768,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,339.09212,[M-H]-,20.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522769,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,339.09212,[M-H]-,20.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522770,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,339.09212,[M-H]-,60.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522771,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,339.09212,[M-H]-,30.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522772,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,339.09212,[M-H]-,20.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522773,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,341.10667,[M+H]+,20.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522774,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,341.10667,[M+H]+,20.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522775,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,341.10667,[M+H]+,30.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522776,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,341.10667,[M+H]+,60.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522777,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,341.10667,[M+H]+,20.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522778,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,341.10667,[M+H]+,45.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522779,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,341.10667,[M+H]+,20.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522780,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1,341.10667,[M+H]+,60.0,test,CCCC(=O)Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1
522781,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12,341.10667,[M+H]+,20.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522782,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12,341.10667,[M+H]+,20.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522783,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12,341.10667,[M+H]+,45.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522784,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12,341.10667,[M+H]+,60.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522785,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12,341.10667,[M+H]+,20.0,test,Cc1nn(CC(=O)NC2CC2)c(=O)c2nc(-c3ccccc3)sc12
522786,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,341.10667,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522787,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,341.10667,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522788,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,341.10667,[M+H]+,60.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522789,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,341.10667,[M+H]+,30.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522790,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,341.10667,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522791,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,341.10667,[M+H]+,60.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522792,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,341.10667,[M+H]+,30.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522793,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1,341.10667,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1
522794,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1,341.10667,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1
522795,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1,341.10667,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1
522796,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1,341.10667,[M+H]+,60.0,test,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1
522797,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1,341.10667,[M+H]+,15.0,test,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1
522798,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1,341.10667,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1
522799,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1,341.10667,[M+H]+,15.0,test,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1
522800,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1,341.10667,[M+H]+,60.0,test,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1
522801,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1,341.10667,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)Nc2ccccc2-c2csc(C)n2)cn1
522802,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1,341.10667,[M+H]+,15.0,test,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
522803,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1,341.10667,[M+H]+,15.0,test,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
522804,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1,341.10667,[M+H]+,30.0,test,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
522805,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1,341.10667,[M+H]+,20.0,test,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
522806,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1,341.10667,[M+H]+,60.0,test,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
522807,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1,341.10667,[M+H]+,15.0,test,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
522808,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1,341.10667,[M+H]+,60.0,test,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
522809,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1,341.10667,[M+H]+,20.0,test,Cc1nccc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
522810,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1,341.10667,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1
522811,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1,341.10667,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1
522812,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1,341.10667,[M+H]+,60.0,test,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1
522813,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1,341.10667,[M+H]+,30.0,test,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1
522814,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1,341.10667,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1
522815,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1,341.10667,[M+H]+,30.0,test,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1
522816,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1,341.10667,[M+H]+,60.0,test,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1
522817,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1,341.10667,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1
522818,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1,341.10667,[M+H]+,15.0,test,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1
522819,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1,341.10667,[M+H]+,15.0,test,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1
522820,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1,341.10667,[M+H]+,20.0,test,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1
522821,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1,341.10667,[M+H]+,60.0,test,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1
522822,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1,341.10667,[M+H]+,15.0,test,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1
522823,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,341.10667,[M+H]+,20.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522824,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,341.10667,[M+H]+,20.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522825,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,341.10667,[M+H]+,60.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522826,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,341.10667,[M+H]+,30.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522827,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,341.10667,[M+H]+,20.0,test,CCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
522828,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,341.10667,[M+H]+,20.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522829,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,341.10667,[M+H]+,20.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522830,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,341.10667,[M+H]+,60.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522831,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,341.10667,[M+H]+,30.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522832,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1,341.10667,[M+H]+,20.0,test,CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1
522833,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1
522834,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1
522835,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1,341.10667,[M+H]+,60.0,test,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1
522836,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1,341.10667,[M+H]+,30.0,test,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1
522837,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1
522838,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1,341.10667,[M+H]+,60.0,test,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1
522839,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1,341.10667,[M+H]+,30.0,test,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1
522840,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1
522841,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,341.10667,[M+H]+,20.0,test,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1
522842,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,341.10667,[M+H]+,20.0,test,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1
522843,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,341.10667,[M+H]+,45.0,test,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1
522844,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,341.10667,[M+H]+,60.0,test,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1
522845,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,341.10667,[M+H]+,20.0,test,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1
522846,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,341.10667,[M+H]+,45.0,test,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1
522847,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,341.10667,[M+H]+,20.0,test,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1
522848,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,341.10667,[M+H]+,60.0,test,CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1
522849,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12,341.10667,[M+H]+,20.0,test,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12
522850,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12,341.10667,[M+H]+,20.0,test,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12
522851,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12,341.10667,[M+H]+,60.0,test,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12
522852,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12,341.10667,[M+H]+,15.0,test,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12
522853,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12,341.10667,[M+H]+,20.0,test,Cc1cccn2c(=O)nc(SCC(=O)N(C)c3ccccc3)nc12
522854,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C,341.10667,[M+H]+,20.0,test,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C
522855,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C,341.10667,[M+H]+,20.0,test,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C
522856,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C,341.10667,[M+H]+,60.0,test,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C
522857,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C,341.10667,[M+H]+,30.0,test,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C
522858,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C,341.10667,[M+H]+,20.0,test,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C
522859,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C,341.10667,[M+H]+,60.0,test,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C
522860,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C,341.10667,[M+H]+,30.0,test,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C
522861,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C,341.10667,[M+H]+,20.0,test,Cc1ccc(OCc2nn3c(-c4ccoc4C)nnc3s2)cc1C
522862,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522863,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522864,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,341.10667,[M+H]+,45.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522865,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,341.10667,[M+H]+,60.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522866,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522867,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,341.10667,[M+H]+,45.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522868,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,341.10667,[M+H]+,60.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522869,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1,341.10667,[M+H]+,20.0,test,Cc1nc(C(=O)Nc2ccc3ncn(C4CC4)c(=O)c3c2)c(C)s1
522870,CNC(=O)NC(=O)CSc1c2c(-c3cc(OC)ccc3)csc2ncn1,389.07366,[M+H]+,30.0,test,CNC(=O)NC(=O)CSc1ncnc2scc(-c3cccc(OC)c3)c12
522871,CNC(=O)NC(=O)CSc1c2c(-c3cc(OC)ccc3)csc2ncn1,389.07366,[M+H]+,30.0,test,CNC(=O)NC(=O)CSc1ncnc2scc(-c3cccc(OC)c3)c12
522872,CNC(=O)NC(=O)CSc1c2c(-c3cc(OC)ccc3)csc2ncn1,389.07366,[M+H]+,60.0,test,CNC(=O)NC(=O)CSc1ncnc2scc(-c3cccc(OC)c3)c12
522873,CNC(=O)NC(=O)CSc1c2c(-c3cc(OC)ccc3)csc2ncn1,389.07366,[M+H]+,20.0,test,CNC(=O)NC(=O)CSc1ncnc2scc(-c3cccc(OC)c3)c12
522874,CNC(=O)NC(=O)CSc1c2c(-c3cc(OC)ccc3)csc2ncn1,389.07366,[M+H]+,30.0,test,CNC(=O)NC(=O)CSc1ncnc2scc(-c3cccc(OC)c3)c12
522875,CN1C(=O)c2c(ccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21,417.07981,[M+H]+,45.0,test,CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
522876,CN1C(=O)c2c(ccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21,417.07981,[M+H]+,45.0,test,CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
522877,CN1C(=O)c2c(ccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21,417.07981,[M+H]+,20.0,test,CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
522878,CN1C(=O)c2c(ccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21,417.07981,[M+H]+,60.0,test,CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
522879,CN1C(=O)c2c(ccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21,417.07981,[M+H]+,45.0,test,CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
522880,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,379.1095,[M-H]-,20.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522881,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,379.1095,[M-H]-,20.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522882,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,379.1095,[M-H]-,60.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522883,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,379.1095,[M-H]-,30.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522884,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,379.1095,[M-H]-,20.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522885,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,379.1095,[M-H]-,60.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522886,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,379.1095,[M-H]-,30.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522887,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,379.1095,[M-H]-,20.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522888,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,381.12405,[M+H]+,20.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522889,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,381.12405,[M+H]+,20.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522890,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,381.12405,[M+H]+,60.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522891,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,381.12405,[M+H]+,15.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522892,O=C(NCc1ccccc1Cn1cncn1)Nc1c(-c2nccs2)[nH]nc1,381.12405,[M+H]+,20.0,test,O=C(NCc1ccccc1Cn1cncn1)Nc1cn[nH]c1-c1nccs1
522893,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1,400.11465,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
522894,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1,400.11465,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
522895,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1,400.11465,[M+H]+,60.0,test,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
522896,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1,400.11465,[M+H]+,30.0,test,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
522897,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1,400.11465,[M+H]+,20.0,test,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
522898,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,379.05248,[M-H]-,20.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522899,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,379.05248,[M-H]-,20.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522900,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,379.05248,[M-H]-,60.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522901,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,379.05248,[M-H]-,20.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522902,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,379.05248,[M-H]-,45.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522903,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,379.05248,[M-H]-,60.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522904,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,379.05248,[M-H]-,20.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522905,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,379.05248,[M-H]-,45.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522906,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,381.06703,[M+H]+,20.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522907,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,381.06703,[M+H]+,20.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522908,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,381.06703,[M+H]+,60.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522909,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,381.06703,[M+H]+,30.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522910,O=C(Nc1cn(Cc2ccccc2Cl)c(=O)cc1)C1CCS(=O)(=O)C1,381.06703,[M+H]+,20.0,test,O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCS(=O)(=O)C1
522911,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,343.09673,[M-H]-,20.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522912,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,343.09673,[M-H]-,20.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522913,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,343.09673,[M-H]-,60.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522914,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,343.09673,[M-H]-,30.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522915,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,343.09673,[M-H]-,20.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522916,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522917,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522918,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,345.11128,[M+H]+,60.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522919,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,345.11128,[M+H]+,30.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522920,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522921,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,345.11128,[M+H]+,60.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522922,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,345.11128,[M+H]+,30.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522923,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1
522924,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,343.09673,[M-H]-,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522925,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,343.09673,[M-H]-,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522926,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,343.09673,[M-H]-,60.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522927,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,343.09673,[M-H]-,30.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522928,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,343.09673,[M-H]-,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522929,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,343.09673,[M-H]-,30.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522930,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,343.09673,[M-H]-,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522931,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,343.09673,[M-H]-,60.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522932,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,389.10221,[M+FA]-,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522933,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,389.10221,[M+FA]-,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522934,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,389.10221,[M+FA]-,60.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522935,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,389.10221,[M+FA]-,15.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522936,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,389.10221,[M+FA]-,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522937,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,379.0734,[M+Cl]-,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522938,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,379.0734,[M+Cl]-,60.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522939,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,379.0734,[M+Cl]-,15.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522940,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,379.0734,[M+Cl]-,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522941,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,389.10221,[M+FA]-,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522942,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,389.10221,[M+FA]-,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522943,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,389.10221,[M+FA]-,60.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522944,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,389.10221,[M+FA]-,15.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522945,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,389.10221,[M+FA]-,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522946,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,389.10221,[M+FA]-,15.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522947,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,389.10221,[M+FA]-,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522948,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,389.10221,[M+FA]-,60.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522949,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522950,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522951,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,345.11128,[M+H]+,60.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522952,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,345.11128,[M+H]+,15.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522953,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522954,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,345.11128,[M+H]+,15.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522955,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522956,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1,345.11128,[M+H]+,60.0,test,O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(Cl)cc1
522957,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,345.11128,[M+H]+,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522958,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,345.11128,[M+H]+,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522959,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,345.11128,[M+H]+,60.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522960,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,345.11128,[M+H]+,30.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522961,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,345.11128,[M+H]+,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522962,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,345.11128,[M+H]+,30.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522963,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,345.11128,[M+H]+,60.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522964,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,345.11128,[M+H]+,20.0,test,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1
522965,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1
522966,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1
522967,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1,345.11128,[M+H]+,60.0,test,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1
522968,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1,345.11128,[M+H]+,15.0,test,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1
522969,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1,345.11128,[M+H]+,20.0,test,CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1
522970,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,359.09164,[M-H]-,20.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522971,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,359.09164,[M-H]-,20.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522972,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,359.09164,[M-H]-,60.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522973,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,359.09164,[M-H]-,30.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522974,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,359.09164,[M-H]-,20.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522975,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,361.10619,[M+H]+,20.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522976,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,361.10619,[M+H]+,20.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522977,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,361.10619,[M+H]+,60.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522978,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,361.10619,[M+H]+,30.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522979,Cc1nc(C2CN(C(=O)Cc3c[nH]c4c3cc(Cl)cc4)CCO2)no1,361.10619,[M+H]+,20.0,test,Cc1nc(C2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
522980,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,439.0307,[M-H]-,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522981,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,439.0307,[M-H]-,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522982,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,439.0307,[M-H]-,60.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522983,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,439.0307,[M-H]-,30.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522984,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,439.0307,[M-H]-,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522985,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,439.0307,[M-H]-,30.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522986,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,439.0307,[M-H]-,60.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522987,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,439.0307,[M-H]-,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522988,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,475.00738,[M+Cl]-,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522989,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,475.00738,[M+Cl]-,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522990,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,475.00738,[M+Cl]-,60.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522991,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,475.00738,[M+Cl]-,15.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522992,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,475.00738,[M+Cl]-,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522993,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,441.04525,[M+H]+,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522994,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,441.04525,[M+H]+,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522995,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,441.04525,[M+H]+,60.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522996,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,441.04525,[M+H]+,15.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522997,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,441.04525,[M+H]+,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522998,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,441.04525,[M+H]+,60.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
522999,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,441.04525,[M+H]+,20.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
523000,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1,441.04525,[M+H]+,15.0,test,Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1
523001,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N,345.09352,[M+H]+,20.0,test,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N
523002,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N,345.09352,[M+H]+,20.0,test,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N
523003,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N,345.09352,[M+H]+,60.0,test,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N
523004,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N,345.09352,[M+H]+,30.0,test,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N
523005,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N,345.09352,[M+H]+,20.0,test,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N
523006,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N,345.09352,[M+H]+,60.0,test,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N
523007,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N,345.09352,[M+H]+,30.0,test,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N
523008,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N,345.09352,[M+H]+,20.0,test,Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N
523009,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1,345.09352,[M+H]+,20.0,test,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1
523010,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1,345.09352,[M+H]+,20.0,test,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1
523011,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1,345.09352,[M+H]+,30.0,test,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1
523012,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1,345.09352,[M+H]+,60.0,test,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1
523013,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1,345.09352,[M+H]+,15.0,test,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1
523014,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1,345.09352,[M+H]+,20.0,test,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1
523015,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1,345.09352,[M+H]+,60.0,test,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1
523016,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1,345.09352,[M+H]+,20.0,test,CN1CCN(c2ncnc3scc(-c4ccccc4Cl)c23)CC1
523017,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,385.08392,[M-H]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523018,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,385.08392,[M-H]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523019,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,385.08392,[M-H]-,60.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523020,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,385.08392,[M-H]-,30.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523021,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,385.08392,[M-H]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523022,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,385.08392,[M-H]-,60.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523023,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,385.08392,[M-H]-,30.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523024,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,385.08392,[M-H]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523025,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,421.0606,[M+Cl]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523026,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,421.0606,[M+Cl]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523027,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,421.0606,[M+Cl]-,60.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523028,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,421.0606,[M+Cl]-,15.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523029,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,421.0606,[M+Cl]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523030,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,431.0894,[M+FA]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523031,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,431.0894,[M+FA]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523032,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,431.0894,[M+FA]-,60.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523033,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,431.0894,[M+FA]-,15.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523034,CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2)c(F)cc1,431.0894,[M+FA]-,20.0,test,CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
523035,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,331.0922,[M-H]-,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523036,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,331.0922,[M-H]-,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523037,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,331.0922,[M-H]-,60.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523038,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,331.0922,[M-H]-,15.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523039,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,331.0922,[M-H]-,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523040,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,331.0922,[M-H]-,15.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523041,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,331.0922,[M-H]-,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523042,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,331.0922,[M-H]-,60.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523043,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,367.06888,[M+Cl]-,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523044,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,367.06888,[M+Cl]-,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523045,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,367.06888,[M+Cl]-,15.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523046,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,367.06888,[M+Cl]-,60.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523047,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,367.06888,[M+Cl]-,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523048,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,331.0922,[M-H]-,20.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523049,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,331.0922,[M-H]-,20.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523050,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,331.0922,[M-H]-,60.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523051,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,331.0922,[M-H]-,30.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523052,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,331.0922,[M-H]-,20.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523053,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,333.10675,[M+H]+,20.0,test,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
523054,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,333.10675,[M+H]+,20.0,test,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
523055,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,333.10675,[M+H]+,60.0,test,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
523056,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,333.10675,[M+H]+,30.0,test,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
523057,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,333.10675,[M+H]+,20.0,test,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
523058,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,333.10675,[M+H]+,60.0,test,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
523059,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,333.10675,[M+H]+,30.0,test,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
523060,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,333.10675,[M+H]+,20.0,test,CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
523061,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,333.10675,[M+H]+,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523062,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,333.10675,[M+H]+,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523063,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,333.10675,[M+H]+,60.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523064,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,333.10675,[M+H]+,30.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523065,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1,333.10675,[M+H]+,20.0,test,CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1
523066,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,333.10675,[M+H]+,20.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523067,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,333.10675,[M+H]+,20.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523068,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,333.10675,[M+H]+,60.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523069,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,333.10675,[M+H]+,30.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523070,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2,333.10675,[M+H]+,20.0,test,NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2
523071,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C,333.10675,[M+H]+,20.0,test,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C
523072,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C,333.10675,[M+H]+,20.0,test,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C
523073,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C,333.10675,[M+H]+,60.0,test,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C
523074,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C,333.10675,[M+H]+,30.0,test,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C
523075,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C,333.10675,[M+H]+,20.0,test,Cc1cc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2n1C
523076,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,306.13603,[M-H]-,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523077,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,306.13603,[M-H]-,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523078,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,306.13603,[M-H]-,60.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523079,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,306.13603,[M-H]-,30.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523080,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,306.13603,[M-H]-,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523081,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,352.14151,[M+FA]-,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523082,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,352.14151,[M+FA]-,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523083,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,352.14151,[M+FA]-,60.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523084,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,352.14151,[M+FA]-,15.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523085,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,352.14151,[M+FA]-,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523086,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,308.15059,[M+H]+,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523087,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,308.15059,[M+H]+,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523088,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,308.15059,[M+H]+,60.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523089,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,308.15059,[M+H]+,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523090,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,308.15059,[M+H]+,45.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523091,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,308.15059,[M+H]+,60.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523092,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,308.15059,[M+H]+,20.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523093,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1,308.15059,[M+H]+,45.0,test,Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1
523094,O=C(c1cn2nnnc2cc1)N1CCCC1Cc1ccccc1,308.15059,[M+H]+,20.0,test,O=C(c1ccc2nnnn2c1)N1CCCC1Cc1ccccc1
523095,O=C(c1cn2nnnc2cc1)N1CCCC1Cc1ccccc1,308.15059,[M+H]+,20.0,test,O=C(c1ccc2nnnn2c1)N1CCCC1Cc1ccccc1
523096,O=C(c1cn2nnnc2cc1)N1CCCC1Cc1ccccc1,308.15059,[M+H]+,60.0,test,O=C(c1ccc2nnnn2c1)N1CCCC1Cc1ccccc1
523097,O=C(c1cn2nnnc2cc1)N1CCCC1Cc1ccccc1,308.15059,[M+H]+,30.0,test,O=C(c1ccc2nnnn2c1)N1CCCC1Cc1ccccc1
523098,O=C(c1cn2nnnc2cc1)N1CCCC1Cc1ccccc1,308.15059,[M+H]+,20.0,test,O=C(c1ccc2nnnn2c1)N1CCCC1Cc1ccccc1
523099,O=C(Cn1cc(-c2cc3ccccc3nc2)nn1)N1CCCC1,308.15059,[M+H]+,20.0,test,O=C(Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCCC1
523100,O=C(Cn1cc(-c2cc3ccccc3nc2)nn1)N1CCCC1,308.15059,[M+H]+,20.0,test,O=C(Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCCC1
523101,O=C(Cn1cc(-c2cc3ccccc3nc2)nn1)N1CCCC1,308.15059,[M+H]+,60.0,test,O=C(Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCCC1
523102,O=C(Cn1cc(-c2cc3ccccc3nc2)nn1)N1CCCC1,308.15059,[M+H]+,30.0,test,O=C(Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCCC1
523103,O=C(Cn1cc(-c2cc3ccccc3nc2)nn1)N1CCCC1,308.15059,[M+H]+,20.0,test,O=C(Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCCC1
523104,O=C(Cn1cc(-c2cc3ccccc3nc2)nn1)N1CCCC1,308.15059,[M+H]+,60.0,test,O=C(Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCCC1
523105,O=C(Cn1cc(-c2cc3ccccc3nc2)nn1)N1CCCC1,308.15059,[M+H]+,30.0,test,O=C(Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCCC1
523106,O=C(Cn1cc(-c2cc3ccccc3nc2)nn1)N1CCCC1,308.15059,[M+H]+,20.0,test,O=C(Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCCC1
523107,c1ccc(C2(c3nc(-c4ncncc4)no3)CCNCC2)cc1,308.15059,[M+H]+,20.0,test,c1ccc(C2(c3nc(-c4ccncn4)no3)CCNCC2)cc1
523108,c1ccc(C2(c3nc(-c4ncncc4)no3)CCNCC2)cc1,308.15059,[M+H]+,20.0,test,c1ccc(C2(c3nc(-c4ccncn4)no3)CCNCC2)cc1
523109,c1ccc(C2(c3nc(-c4ncncc4)no3)CCNCC2)cc1,308.15059,[M+H]+,60.0,test,c1ccc(C2(c3nc(-c4ccncn4)no3)CCNCC2)cc1
523110,c1ccc(C2(c3nc(-c4ncncc4)no3)CCNCC2)cc1,308.15059,[M+H]+,20.0,test,c1ccc(C2(c3nc(-c4ccncn4)no3)CCNCC2)cc1
523111,c1ccc(C2(c3nc(-c4ncncc4)no3)CCNCC2)cc1,308.15059,[M+H]+,45.0,test,c1ccc(C2(c3nc(-c4ccncn4)no3)CCNCC2)cc1
523112,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,272.12947,[M+H-2H2O]+,20.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523113,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,272.12947,[M+H-2H2O]+,20.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523114,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,272.12947,[M+H-2H2O]+,60.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523115,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,272.12947,[M+H-2H2O]+,30.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523116,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,272.12947,[M+H-2H2O]+,20.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523117,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,308.15059,[M+H]+,20.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523118,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,308.15059,[M+H]+,20.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523119,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,308.15059,[M+H]+,60.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523120,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,308.15059,[M+H]+,30.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523121,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,308.15059,[M+H]+,20.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523122,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,308.15059,[M+H]+,60.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523123,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,308.15059,[M+H]+,30.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523124,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1,308.15059,[M+H]+,20.0,test,Cc1cnc(C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1
523125,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,306.13603,[M-H]-,15.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523126,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,306.13603,[M-H]-,15.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523127,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,306.13603,[M-H]-,20.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523128,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,306.13603,[M-H]-,60.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523129,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,306.13603,[M-H]-,15.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523130,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,342.11271,[M+Cl]-,20.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523131,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,342.11271,[M+Cl]-,20.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523132,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,342.11271,[M+Cl]-,60.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523133,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,342.11271,[M+Cl]-,15.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523134,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,342.11271,[M+Cl]-,20.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523135,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,352.14151,[M+FA]-,15.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523136,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,352.14151,[M+FA]-,15.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523137,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,352.14151,[M+FA]-,20.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523138,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,352.14151,[M+FA]-,60.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523139,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,352.14151,[M+FA]-,15.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523140,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,308.15059,[M+H]+,20.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523141,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,308.15059,[M+H]+,20.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523142,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,308.15059,[M+H]+,60.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523143,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,308.15059,[M+H]+,30.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523144,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1,308.15059,[M+H]+,20.0,test,Cc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
523145,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,290.14003,[M+H-H2O]+,20.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523146,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,290.14003,[M+H-H2O]+,20.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523147,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,290.14003,[M+H-H2O]+,60.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523148,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,290.14003,[M+H-H2O]+,20.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523149,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,290.14003,[M+H-H2O]+,45.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523150,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,308.15059,[M+H]+,20.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523151,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,308.15059,[M+H]+,20.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523152,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,308.15059,[M+H]+,60.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523153,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,308.15059,[M+H]+,30.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523154,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1,308.15059,[M+H]+,20.0,test,Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
523155,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,306.13603,[M-H]-,20.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523156,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,306.13603,[M-H]-,20.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523157,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,306.13603,[M-H]-,60.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523158,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,306.13603,[M-H]-,15.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523159,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,306.13603,[M-H]-,20.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523160,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,352.14151,[M+FA]-,30.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523161,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,306.13603,[M-H]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523162,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,306.13603,[M-H]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523163,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,306.13603,[M-H]-,60.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523164,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,306.13603,[M-H]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523165,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,306.13603,[M-H]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523166,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,306.13603,[M-H]-,60.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523167,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,342.11271,[M+Cl]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523168,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,342.11271,[M+Cl]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523169,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,342.11271,[M+Cl]-,60.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523170,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,342.11271,[M+Cl]-,15.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523171,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,352.14151,[M+FA]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523172,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,352.14151,[M+FA]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523173,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,352.14151,[M+FA]-,60.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523174,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,352.14151,[M+FA]-,15.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523175,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,352.14151,[M+FA]-,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523176,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,306.13603,[M-H]-,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523177,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,306.13603,[M-H]-,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523178,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,306.13603,[M-H]-,15.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523179,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,306.13603,[M-H]-,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523180,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,352.14151,[M+FA]-,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523181,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,352.14151,[M+FA]-,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523182,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,352.14151,[M+FA]-,60.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523183,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,352.14151,[M+FA]-,15.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523184,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,352.14151,[M+FA]-,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523185,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,306.13603,[M-H]-,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523186,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,306.13603,[M-H]-,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523187,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,306.13603,[M-H]-,45.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523188,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,306.13603,[M-H]-,60.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523189,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,306.13603,[M-H]-,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523190,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,352.14151,[M+FA]-,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523191,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,352.14151,[M+FA]-,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523192,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,352.14151,[M+FA]-,60.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523193,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,352.14151,[M+FA]-,15.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523194,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,352.14151,[M+FA]-,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523195,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,306.13603,[M-H]-,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523196,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,306.13603,[M-H]-,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523197,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,306.13603,[M-H]-,60.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523198,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,306.13603,[M-H]-,30.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523199,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,306.13603,[M-H]-,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523200,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,306.13603,[M-H]-,30.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523201,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,306.13603,[M-H]-,60.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523202,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,306.13603,[M-H]-,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523203,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,342.11271,[M+Cl]-,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523204,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,342.11271,[M+Cl]-,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523205,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,342.11271,[M+Cl]-,60.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523206,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,342.11271,[M+Cl]-,15.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523207,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,342.11271,[M+Cl]-,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523208,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,306.13603,[M-H]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523209,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,306.13603,[M-H]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523210,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,306.13603,[M-H]-,60.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523211,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,306.13603,[M-H]-,30.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523212,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,306.13603,[M-H]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523213,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,306.13603,[M-H]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523214,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,306.13603,[M-H]-,30.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523215,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,306.13603,[M-H]-,60.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523216,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,342.11271,[M+Cl]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523217,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,342.11271,[M+Cl]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523218,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,342.11271,[M+Cl]-,60.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523219,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,342.11271,[M+Cl]-,15.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523220,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,342.11271,[M+Cl]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523221,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,342.11271,[M+Cl]-,15.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523222,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,342.11271,[M+Cl]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523223,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,342.11271,[M+Cl]-,60.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523224,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,352.14151,[M+FA]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523225,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,352.14151,[M+FA]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523226,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,352.14151,[M+FA]-,60.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523227,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,352.14151,[M+FA]-,15.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523228,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,352.14151,[M+FA]-,20.0,test,CC(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
523229,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,306.13603,[M-H]-,20.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523230,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,306.13603,[M-H]-,20.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523231,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,306.13603,[M-H]-,45.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523232,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,306.13603,[M-H]-,60.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523233,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,306.13603,[M-H]-,20.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523234,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,306.13603,[M-H]-,20.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523235,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,306.13603,[M-H]-,45.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523236,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,306.13603,[M-H]-,60.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523237,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1,308.15059,[M+H]+,20.0,test,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1
523238,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1,308.15059,[M+H]+,20.0,test,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1
523239,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1,308.15059,[M+H]+,60.0,test,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1
523240,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1,308.15059,[M+H]+,15.0,test,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1
523241,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1,308.15059,[M+H]+,20.0,test,O=C(NCc1cccc2ccccc12)N1CC(n2nccn2)C1
523242,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,308.15059,[M+H]+,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523243,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,308.15059,[M+H]+,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523244,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,308.15059,[M+H]+,60.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523245,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,308.15059,[M+H]+,30.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523246,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1,308.15059,[M+H]+,20.0,test,CC(NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1
523247,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,308.15059,[M+H]+,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523248,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,308.15059,[M+H]+,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523249,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,308.15059,[M+H]+,60.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523250,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,308.15059,[M+H]+,30.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523251,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,308.15059,[M+H]+,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523252,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,308.15059,[M+H]+,60.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523253,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,308.15059,[M+H]+,30.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523254,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1,308.15059,[M+H]+,20.0,test,Cc1cc(C)cc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1
523255,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,308.15059,[M+H]+,20.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523256,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,308.15059,[M+H]+,20.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523257,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,308.15059,[M+H]+,60.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523258,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,308.15059,[M+H]+,30.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523259,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,308.15059,[M+H]+,20.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523260,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,308.15059,[M+H]+,60.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523261,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,308.15059,[M+H]+,30.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523262,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,308.15059,[M+H]+,20.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523263,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,330.13253,[M+Na]+,20.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523264,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,330.13253,[M+Na]+,20.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523265,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,330.13253,[M+Na]+,60.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523266,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,330.13253,[M+Na]+,15.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523267,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1,330.13253,[M+Na]+,20.0,test,O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1
523268,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,308.15059,[M+H]+,20.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523269,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,308.15059,[M+H]+,20.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523270,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,308.15059,[M+H]+,45.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523271,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,308.15059,[M+H]+,60.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523272,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,308.15059,[M+H]+,20.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523273,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,308.15059,[M+H]+,45.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523274,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,308.15059,[M+H]+,60.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523275,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,308.15059,[M+H]+,20.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523276,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,330.13253,[M+Na]+,20.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523277,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,330.13253,[M+Na]+,20.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523278,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,330.13253,[M+Na]+,60.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523279,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,330.13253,[M+Na]+,15.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523280,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1,330.13253,[M+Na]+,20.0,test,O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1
523281,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,308.15059,[M+H]+,20.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523282,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,308.15059,[M+H]+,20.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523283,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,308.15059,[M+H]+,60.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523284,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,308.15059,[M+H]+,30.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523285,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1,308.15059,[M+H]+,20.0,test,Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1
523286,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,308.15059,[M+H]+,20.0,test,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
523287,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,308.15059,[M+H]+,20.0,test,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
523288,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,308.15059,[M+H]+,60.0,test,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
523289,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,308.15059,[M+H]+,15.0,test,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
523290,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,308.15059,[M+H]+,20.0,test,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
523291,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,308.15059,[M+H]+,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523292,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,308.15059,[M+H]+,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523293,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,308.15059,[M+H]+,45.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523294,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,308.15059,[M+H]+,60.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523295,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,308.15059,[M+H]+,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523296,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,308.15059,[M+H]+,20.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523297,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1,308.15059,[M+H]+,60.0,test,O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1
523298,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,308.15059,[M+H]+,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523299,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,308.15059,[M+H]+,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523300,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,308.15059,[M+H]+,60.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523301,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,308.15059,[M+H]+,15.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523302,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,308.15059,[M+H]+,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523303,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,308.15059,[M+H]+,60.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523304,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,308.15059,[M+H]+,20.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523305,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1,308.15059,[M+H]+,15.0,test,O=C(NCCn1cccc1)c1cccc(Nc2ncccn2)c1
523306,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1,308.15059,[M+H]+,20.0,test,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1
523307,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1,308.15059,[M+H]+,20.0,test,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1
523308,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1,308.15059,[M+H]+,60.0,test,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1
523309,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1,308.15059,[M+H]+,30.0,test,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1
523310,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1,308.15059,[M+H]+,20.0,test,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1
523311,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1,308.15059,[M+H]+,60.0,test,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1
523312,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1,308.15059,[M+H]+,30.0,test,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1
523313,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1,308.15059,[M+H]+,20.0,test,c1ccc(-c2noc(N3CCN(c4ccccn4)CC3)n2)cc1
523314,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,308.15059,[M+H]+,20.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523315,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,308.15059,[M+H]+,20.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523316,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,308.15059,[M+H]+,45.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523317,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,308.15059,[M+H]+,60.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523318,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,308.15059,[M+H]+,20.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523319,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,308.15059,[M+H]+,45.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523320,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,308.15059,[M+H]+,60.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523321,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1,308.15059,[M+H]+,20.0,test,Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1
523322,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1,308.15059,[M+H]+,20.0,test,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1
523323,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1,308.15059,[M+H]+,20.0,test,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1
523324,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1,308.15059,[M+H]+,45.0,test,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1
523325,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1,308.15059,[M+H]+,60.0,test,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1
523326,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1,308.15059,[M+H]+,20.0,test,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1
523327,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1,308.15059,[M+H]+,20.0,test,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1
523328,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1,308.15059,[M+H]+,45.0,test,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1
523329,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1,308.15059,[M+H]+,60.0,test,c1cnc(N2CC3CN(c4nc5ccccc5o4)CC3C2)nc1
523330,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1,308.15059,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
523331,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1,308.15059,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
523332,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1,308.15059,[M+H]+,45.0,test,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
523333,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1,308.15059,[M+H]+,60.0,test,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
523334,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1,308.15059,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
523335,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1,308.15059,[M+H]+,60.0,test,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
523336,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1,308.15059,[M+H]+,45.0,test,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
523337,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1,308.15059,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
523338,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,308.15059,[M+H]+,20.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523339,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,308.15059,[M+H]+,20.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523340,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,308.15059,[M+H]+,60.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523341,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,308.15059,[M+H]+,30.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523342,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,308.15059,[M+H]+,20.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523343,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,308.15059,[M+H]+,30.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523344,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,308.15059,[M+H]+,60.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523345,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,308.15059,[M+H]+,20.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523346,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,325.17713,[M+NH4]+,20.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523347,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,325.17713,[M+NH4]+,20.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523348,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,325.17713,[M+NH4]+,45.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523349,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,325.17713,[M+NH4]+,60.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523350,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1,325.17713,[M+NH4]+,20.0,test,CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1cccnc1
523351,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1,308.15059,[M+H]+,20.0,test,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1
523352,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1,308.15059,[M+H]+,20.0,test,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1
523353,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1,308.15059,[M+H]+,60.0,test,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1
523354,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1,308.15059,[M+H]+,30.0,test,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1
523355,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1,308.15059,[M+H]+,20.0,test,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1
523356,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1,308.15059,[M+H]+,60.0,test,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1
523357,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1,308.15059,[M+H]+,20.0,test,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1
523358,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1,308.15059,[M+H]+,30.0,test,CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1
523359,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1,308.15059,[M+H]+,45.0,test,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1
523360,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1,308.15059,[M+H]+,45.0,test,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1
523361,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1,308.15059,[M+H]+,30.0,test,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1
523362,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1,308.15059,[M+H]+,20.0,test,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1
523363,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1,308.15059,[M+H]+,60.0,test,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1
523364,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1,308.15059,[M+H]+,45.0,test,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1
523365,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1,308.15059,[M+H]+,60.0,test,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1
523366,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1,308.15059,[M+H]+,20.0,test,Cc1ccc(N2CC(N(C)C(=O)c3ccc(C#N)cc3)C2)nn1
523367,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C,354.12078,[M-H]-,20.0,test,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C
523368,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C,354.12078,[M-H]-,20.0,test,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C
523369,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C,354.12078,[M-H]-,30.0,test,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C
523370,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C,354.12078,[M-H]-,60.0,test,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C
523371,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C,354.12078,[M-H]-,15.0,test,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C
523372,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C,354.12078,[M-H]-,20.0,test,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C
523373,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C,354.12078,[M-H]-,60.0,test,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C
523374,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C,354.12078,[M-H]-,20.0,test,Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C
523375,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,354.12078,[M-H]-,20.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523376,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,354.12078,[M-H]-,20.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523377,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,354.12078,[M-H]-,60.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523378,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,354.12078,[M-H]-,20.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523379,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,354.12078,[M-H]-,45.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523380,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,354.12078,[M-H]-,60.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523381,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,354.12078,[M-H]-,20.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523382,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,354.12078,[M-H]-,45.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523383,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,356.13533,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523384,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,356.13533,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523385,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,356.13533,[M+H]+,60.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523386,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,356.13533,[M+H]+,30.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523387,COc1nc(OC)c(C(=O)N2CCc3c(C2)c(=O)n2[nH]ccc2n3)cc1,356.13533,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCc3nc4cc[nH]n4c(=O)c3C2)c(OC)n1
523388,Nc1ncc(-c2nc(Nc3ccncc3)ncc2)c(CC2CC2)n1,320.16182,[M+H]+,20.0,test,Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
523389,Nc1ncc(-c2nc(Nc3ccncc3)ncc2)c(CC2CC2)n1,320.16182,[M+H]+,20.0,test,Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
523390,Nc1ncc(-c2nc(Nc3ccncc3)ncc2)c(CC2CC2)n1,320.16182,[M+H]+,60.0,test,Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
523391,Nc1ncc(-c2nc(Nc3ccncc3)ncc2)c(CC2CC2)n1,320.16182,[M+H]+,20.0,test,Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
523392,Nc1ncc(-c2nc(Nc3ccncc3)ncc2)c(CC2CC2)n1,320.16182,[M+H]+,60.0,test,Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
523393,Nc1ncc(-c2nc(Nc3ccncc3)ncc2)c(CC2CC2)n1,320.16182,[M+H]+,20.0,test,Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
523394,Nc1c2c(-c3cnc4[nH]ccc4c3)nn(C3CCCC3)c2ncn1,320.16182,[M+H]+,20.0,test,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
523395,Nc1c2c(-c3cnc4[nH]ccc4c3)nn(C3CCCC3)c2ncn1,320.16182,[M+H]+,20.0,test,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
523396,Nc1c2c(-c3cnc4[nH]ccc4c3)nn(C3CCCC3)c2ncn1,320.16182,[M+H]+,60.0,test,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
523397,Nc1c2c(-c3cnc4[nH]ccc4c3)nn(C3CCCC3)c2ncn1,320.16182,[M+H]+,20.0,test,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
523398,Nc1c2c(-c3cnc4[nH]ccc4c3)nn(C3CCCC3)c2ncn1,320.16182,[M+H]+,45.0,test,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
523399,Nc1c2c(-c3cnc4[nH]ccc4c3)nn(C3CCCC3)c2ncn1,320.16182,[M+H]+,60.0,test,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
523400,Nc1c2c(-c3cnc4[nH]ccc4c3)nn(C3CCCC3)c2ncn1,320.16182,[M+H]+,20.0,test,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
523401,Nc1c2c(-c3cnc4[nH]ccc4c3)nn(C3CCCC3)c2ncn1,320.16182,[M+H]+,45.0,test,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
523402,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,364.15275,[M+FA]-,20.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523403,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,364.15275,[M+FA]-,20.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523404,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,364.15275,[M+FA]-,60.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523405,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,364.15275,[M+FA]-,15.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523406,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,364.15275,[M+FA]-,20.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523407,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1,320.16182,[M+H]+,20.0,test,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
523408,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1,320.16182,[M+H]+,20.0,test,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
523409,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1,320.16182,[M+H]+,45.0,test,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
523410,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1,320.16182,[M+H]+,60.0,test,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
523411,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1,320.16182,[M+H]+,20.0,test,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
523412,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1,320.16182,[M+H]+,20.0,test,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
523413,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1,320.16182,[M+H]+,60.0,test,Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
523414,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1,320.16182,[M+H]+,20.0,test,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1
523415,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1,320.16182,[M+H]+,20.0,test,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1
523416,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1,320.16182,[M+H]+,45.0,test,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1
523417,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1,320.16182,[M+H]+,60.0,test,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1
523418,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1,320.16182,[M+H]+,20.0,test,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1
523419,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1,320.16182,[M+H]+,45.0,test,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1
523420,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1,320.16182,[M+H]+,60.0,test,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1
523421,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1,320.16182,[M+H]+,20.0,test,Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1
523422,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,320.16182,[M+H]+,20.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523423,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,320.16182,[M+H]+,20.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523424,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,320.16182,[M+H]+,45.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523425,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,320.16182,[M+H]+,60.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523426,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,320.16182,[M+H]+,20.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523427,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,320.16182,[M+H]+,60.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523428,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,320.16182,[M+H]+,45.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523429,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1,320.16182,[M+H]+,20.0,test,Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
523430,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,314.1034,[M-H]-,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523431,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,314.1034,[M-H]-,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523432,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,314.1034,[M-H]-,60.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523433,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,314.1034,[M-H]-,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523434,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,314.1034,[M-H]-,45.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523435,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,316.11795,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523436,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,316.11795,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523437,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,316.11795,[M+H]+,60.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523438,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,316.11795,[M+H]+,30.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523439,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1,316.11795,[M+H]+,20.0,test,O=C(O)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1
523440,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1,316.11795,[M+H]+,20.0,test,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1
523441,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1,316.11795,[M+H]+,20.0,test,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1
523442,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1,316.11795,[M+H]+,60.0,test,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1
523443,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1,316.11795,[M+H]+,15.0,test,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1
523444,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1,316.11795,[M+H]+,20.0,test,COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1
523445,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2,316.11795,[M+H]+,20.0,test,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2
523446,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2,316.11795,[M+H]+,20.0,test,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2
523447,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2,316.11795,[M+H]+,60.0,test,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2
523448,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2,316.11795,[M+H]+,30.0,test,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2
523449,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2,316.11795,[M+H]+,20.0,test,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2
523450,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2,316.11795,[M+H]+,60.0,test,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2
523451,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2,316.11795,[M+H]+,30.0,test,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2
523452,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2,316.11795,[M+H]+,20.0,test,COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2
523453,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,330.10148,[M-H]-,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523454,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,330.10148,[M-H]-,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523455,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,330.10148,[M-H]-,60.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523456,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,330.10148,[M-H]-,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523457,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,330.10148,[M-H]-,45.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523458,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,376.10696,[M+FA]-,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523459,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,376.10696,[M+FA]-,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523460,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,376.10696,[M+FA]-,60.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523461,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,376.10696,[M+FA]-,15.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523462,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,376.10696,[M+FA]-,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523463,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,332.11603,[M+H]+,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523464,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,332.11603,[M+H]+,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523465,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,332.11603,[M+H]+,60.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523466,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,332.11603,[M+H]+,30.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523467,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,332.11603,[M+H]+,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523468,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,332.11603,[M+H]+,60.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523469,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,332.11603,[M+H]+,30.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523470,NC(=O)C1(NC(=O)c2c3cccnc3c(Cl)cc2)CCCCC1,332.11603,[M+H]+,20.0,test,NC(=O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1
523471,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,330.10148,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523472,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,330.10148,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523473,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,330.10148,[M-H]-,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523474,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,330.10148,[M-H]-,30.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523475,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,330.10148,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523476,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,330.10148,[M-H]-,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523477,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,330.10148,[M-H]-,30.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523478,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,330.10148,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523479,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,366.07815,[M+Cl]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523480,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,366.07815,[M+Cl]-,15.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523481,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,376.10696,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523482,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,376.10696,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523483,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,376.10696,[M+FA]-,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523484,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,376.10696,[M+FA]-,15.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523485,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,376.10696,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523486,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,376.10696,[M+FA]-,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523487,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,376.10696,[M+FA]-,15.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523488,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,376.10696,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523489,O=C(NCc1ccccc1Cl)c1ncnc(C2CCOCC2)c1,332.11603,[M+H]+,20.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523490,O=C(NCc1ccccc1Cl)c1ncnc(C2CCOCC2)c1,332.11603,[M+H]+,20.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523491,O=C(NCc1ccccc1Cl)c1ncnc(C2CCOCC2)c1,332.11603,[M+H]+,60.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523492,O=C(NCc1ccccc1Cl)c1ncnc(C2CCOCC2)c1,332.11603,[M+H]+,30.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523493,O=C(NCc1ccccc1Cl)c1ncnc(C2CCOCC2)c1,332.11603,[M+H]+,20.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523494,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,332.11603,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523495,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,332.11603,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523496,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,332.11603,[M+H]+,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523497,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,332.11603,[M+H]+,30.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523498,Cc1noc(C)c1CC(=O)NCCn1ccc2c1cccc2Cl,332.11603,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523499,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,330.10148,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523500,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,330.10148,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523501,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,330.10148,[M-H]-,60.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523502,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,330.10148,[M-H]-,30.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523503,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,330.10148,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523504,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,366.07815,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523505,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,366.07815,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523506,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,366.07815,[M+Cl]-,60.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523507,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,366.07815,[M+Cl]-,15.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523508,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,366.07815,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523509,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,376.10696,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523510,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,376.10696,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523511,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,376.10696,[M+FA]-,60.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523512,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,376.10696,[M+FA]-,15.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523513,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,376.10696,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523514,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,330.10148,[M-H]-,20.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523515,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,330.10148,[M-H]-,20.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523516,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,330.10148,[M-H]-,60.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523517,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,330.10148,[M-H]-,30.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523518,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,330.10148,[M-H]-,20.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523519,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,376.10696,[M+FA]-,15.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523520,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,376.10696,[M+FA]-,15.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523521,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,376.10696,[M+FA]-,20.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523522,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,376.10696,[M+FA]-,60.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523523,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,376.10696,[M+FA]-,15.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523524,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,330.10148,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523525,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,330.10148,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523526,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,330.10148,[M-H]-,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523527,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,330.10148,[M-H]-,30.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523528,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,330.10148,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523529,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,330.10148,[M-H]-,30.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523530,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,330.10148,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523531,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,330.10148,[M-H]-,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523532,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,366.07815,[M+Cl]-,15.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523533,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,366.07815,[M+Cl]-,15.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523534,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,366.07815,[M+Cl]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523535,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,366.07815,[M+Cl]-,15.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523536,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,376.10696,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523537,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,376.10696,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523538,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,376.10696,[M+FA]-,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523539,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,376.10696,[M+FA]-,15.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523540,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,376.10696,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523541,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,332.11603,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523542,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,332.11603,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523543,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,332.11603,[M+H]+,45.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523544,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,332.11603,[M+H]+,60.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523545,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1,332.11603,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CCCC1
523546,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,332.11603,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523547,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,332.11603,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523548,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,332.11603,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523549,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,332.11603,[M+H]+,30.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523550,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,332.11603,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523551,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,332.11603,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523552,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,332.11603,[M+H]+,30.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523553,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1,332.11603,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
523554,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1,332.11603,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1
523555,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1,332.11603,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1
523556,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1,332.11603,[M+H]+,60.0,test,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1
523557,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1,332.11603,[M+H]+,30.0,test,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1
523558,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1,332.11603,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1
523559,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1,332.11603,[M+H]+,20.0,test,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1
523560,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1,332.11603,[M+H]+,60.0,test,Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1
523561,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1,332.11603,[M+H]+,20.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523562,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1,332.11603,[M+H]+,20.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523563,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1,332.11603,[M+H]+,60.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523564,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1,332.11603,[M+H]+,30.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523565,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1,332.11603,[M+H]+,20.0,test,O=C(NCc1ccccc1Cl)c1cc(C2CCOCC2)ncn1
523566,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,332.11603,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523567,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,332.11603,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523568,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,332.11603,[M+H]+,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523569,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,332.11603,[M+H]+,30.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523570,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,332.11603,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523571,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,332.11603,[M+H]+,30.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523572,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,332.11603,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523573,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21,332.11603,[M+H]+,60.0,test,Cc1noc(C)c1CC(=O)NCCn1ccc2c(Cl)cccc21
523574,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl,336.09971,[M+H]+,20.0,test,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl
523575,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl,336.09971,[M+H]+,20.0,test,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl
523576,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl,336.09971,[M+H]+,60.0,test,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl
523577,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl,336.09971,[M+H]+,30.0,test,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl
523578,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl,336.09971,[M+H]+,20.0,test,Cc1cc(OCc2ccc(C(=O)N3CCOCC3)o2)ccc1Cl
523579,Clc1ccc(SCCN2CCc3ccccc3C2)cc1,304.09212,[M+H]+,20.0,test,Clc1ccc(SCCN2CCc3ccccc3C2)cc1
523580,Clc1ccc(SCCN2CCc3ccccc3C2)cc1,304.09212,[M+H]+,20.0,test,Clc1ccc(SCCN2CCc3ccccc3C2)cc1
523581,Clc1ccc(SCCN2CCc3ccccc3C2)cc1,304.09212,[M+H]+,60.0,test,Clc1ccc(SCCN2CCc3ccccc3C2)cc1
523582,Clc1ccc(SCCN2CCc3ccccc3C2)cc1,304.09212,[M+H]+,15.0,test,Clc1ccc(SCCN2CCc3ccccc3C2)cc1
523583,Clc1ccc(SCCN2CCc3ccccc3C2)cc1,304.09212,[M+H]+,20.0,test,Clc1ccc(SCCN2CCc3ccccc3C2)cc1
523584,Clc1ccc(SCCN2CCc3ccccc3C2)cc1,304.09212,[M+H]+,60.0,test,Clc1ccc(SCCN2CCc3ccccc3C2)cc1
523585,Clc1ccc(SCCN2CCc3ccccc3C2)cc1,304.09212,[M+H]+,15.0,test,Clc1ccc(SCCN2CCc3ccccc3C2)cc1
523586,Clc1ccc(SCCN2CCc3ccccc3C2)cc1,304.09212,[M+H]+,20.0,test,Clc1ccc(SCCN2CCc3ccccc3C2)cc1
523587,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,408.14013,[M-H]-,20.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523588,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,408.14013,[M-H]-,20.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523589,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,408.14013,[M-H]-,60.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523590,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,408.14013,[M-H]-,20.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523591,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,408.14013,[M-H]-,60.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523592,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,408.14013,[M-H]-,20.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523593,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,410.15468,[M+H]+,20.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523594,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,410.15468,[M+H]+,20.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523595,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,410.15468,[M+H]+,60.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523596,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,410.15468,[M+H]+,30.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523597,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,410.15468,[M+H]+,20.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523598,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,410.15468,[M+H]+,60.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523599,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,410.15468,[M+H]+,30.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523600,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1,410.15468,[M+H]+,20.0,test,Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
523601,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1,315.11617,[M+H]+,20.0,test,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1
523602,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1,315.11617,[M+H]+,20.0,test,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1
523603,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1,315.11617,[M+H]+,60.0,test,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1
523604,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1,315.11617,[M+H]+,30.0,test,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1
523605,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1,315.11617,[M+H]+,20.0,test,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1
523606,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1,315.11617,[M+H]+,60.0,test,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1
523607,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1,315.11617,[M+H]+,30.0,test,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1
523608,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1,315.11617,[M+H]+,20.0,test,CC1COc2ccccc2CN1C(=O)c1csc(C2CC2)n1
523609,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523610,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523611,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,60.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523612,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523613,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,45.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523614,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,60.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523615,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523616,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,45.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523617,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523618,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523619,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,60.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523620,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523621,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,60.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523622,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523623,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523624,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523625,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,60.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523626,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,30.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523627,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523628,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,60.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523629,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,30.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523630,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523631,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,20.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523632,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,20.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523633,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,60.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523634,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,30.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523635,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,20.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523636,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,313.10162,[M-H]-,20.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523637,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,313.10162,[M-H]-,20.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523638,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,313.10162,[M-H]-,60.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523639,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,313.10162,[M-H]-,60.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523640,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523641,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523642,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,45.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523643,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,60.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523644,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,313.10162,[M-H]-,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523645,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,313.10162,[M-H]-,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523646,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,313.10162,[M-H]-,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523647,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,313.10162,[M-H]-,45.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523648,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,313.10162,[M-H]-,60.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523649,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,313.10162,[M-H]-,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523650,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,313.10162,[M-H]-,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523651,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,313.10162,[M-H]-,45.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523652,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,313.10162,[M-H]-,60.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523653,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,359.1071,[M+FA]-,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523654,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,359.1071,[M+FA]-,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523655,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,359.1071,[M+FA]-,60.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523656,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,359.1071,[M+FA]-,15.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523657,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,359.1071,[M+FA]-,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523658,Cc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCC2,313.10162,[M-H]-,20.0,test,Cc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCC2
523659,Cc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCC2,313.10162,[M-H]-,20.0,test,Cc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCC2
523660,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,359.1071,[M+FA]-,20.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523661,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,359.1071,[M+FA]-,20.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523662,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,359.1071,[M+FA]-,60.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523663,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,359.1071,[M+FA]-,15.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523664,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,359.1071,[M+FA]-,20.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523665,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,359.1071,[M+FA]-,20.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523666,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,359.1071,[M+FA]-,15.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523667,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,359.1071,[M+FA]-,60.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523668,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,313.10162,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523669,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,313.10162,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523670,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,313.10162,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523671,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,313.10162,[M-H]-,15.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523672,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,313.10162,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523673,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,313.10162,[M-H]-,20.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523674,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,313.10162,[M-H]-,20.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523675,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,313.10162,[M-H]-,45.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523676,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,313.10162,[M-H]-,60.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523677,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,313.10162,[M-H]-,20.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523678,Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1,359.1071,[M+FA]-,20.0,test,Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1
523679,Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1,359.1071,[M+FA]-,20.0,test,Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1
523680,Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1,359.1071,[M+FA]-,45.0,test,Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1
523681,Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1,359.1071,[M+FA]-,60.0,test,Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1
523682,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,315.11617,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523683,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,315.11617,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523684,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,315.11617,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523685,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,315.11617,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523686,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,315.11617,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523687,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,315.11617,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523688,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,315.11617,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523689,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1,315.11617,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
523690,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1,315.11617,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
523691,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1,315.11617,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
523692,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1,315.11617,[M+H]+,30.0,test,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
523693,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1,315.11617,[M+H]+,60.0,test,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
523694,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1,315.11617,[M+H]+,15.0,test,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
523695,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1,315.11617,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
523696,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1,315.11617,[M+H]+,60.0,test,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
523697,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1,315.11617,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
523698,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1,315.11617,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1
523699,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1,315.11617,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1
523700,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1,315.11617,[M+H]+,60.0,test,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1
523701,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1,315.11617,[M+H]+,15.0,test,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1
523702,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1,315.11617,[M+H]+,20.0,test,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1
523703,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2,315.11617,[M+H]+,20.0,test,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2
523704,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2,315.11617,[M+H]+,20.0,test,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2
523705,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2,315.11617,[M+H]+,30.0,test,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2
523706,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2,315.11617,[M+H]+,60.0,test,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2
523707,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2,315.11617,[M+H]+,20.0,test,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2
523708,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2,315.11617,[M+H]+,30.0,test,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2
523709,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2,315.11617,[M+H]+,60.0,test,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2
523710,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2,315.11617,[M+H]+,20.0,test,O=C(c1ccsc1)N1C2CCC1CC(Oc1cccnc1)C2
523711,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,315.11617,[M+H]+,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523712,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,315.11617,[M+H]+,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523713,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,315.11617,[M+H]+,60.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523714,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,315.11617,[M+H]+,15.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523715,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1,315.11617,[M+H]+,20.0,test,O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1
523716,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,315.11617,[M+H]+,20.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523717,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,315.11617,[M+H]+,20.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523718,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,315.11617,[M+H]+,60.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523719,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,315.11617,[M+H]+,30.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523720,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C,315.11617,[M+H]+,20.0,test,CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C
523721,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,315.11617,[M+H]+,20.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523722,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,315.11617,[M+H]+,20.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523723,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,315.11617,[M+H]+,45.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523724,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,315.11617,[M+H]+,60.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523725,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21,315.11617,[M+H]+,20.0,test,CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21
523726,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2,315.11617,[M+H]+,20.0,test,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2
523727,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2,315.11617,[M+H]+,20.0,test,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2
523728,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2,315.11617,[M+H]+,60.0,test,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2
523729,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2,315.11617,[M+H]+,20.0,test,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2
523730,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2,315.11617,[M+H]+,60.0,test,COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2
523731,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1,315.11617,[M+H]+,20.0,test,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1
523732,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1,315.11617,[M+H]+,20.0,test,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1
523733,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1,315.11617,[M+H]+,60.0,test,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1
523734,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1,315.11617,[M+H]+,30.0,test,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1
523735,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1,315.11617,[M+H]+,20.0,test,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1
523736,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1,315.11617,[M+H]+,60.0,test,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1
523737,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1,315.11617,[M+H]+,30.0,test,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1
523738,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1,315.11617,[M+H]+,20.0,test,Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1
523739,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523740,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523741,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,60.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523742,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,20.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523743,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C,315.11617,[M+H]+,60.0,test,COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C
523744,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,20.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523745,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,20.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523746,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,60.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523747,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,30.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523748,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,20.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523749,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,60.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523750,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,30.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523751,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1,315.11617,[M+H]+,20.0,test,Cc1cc(C)cc(N2CCC(NC(=O)c3cccs3)C2=O)c1
523752,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21,315.11617,[M+H]+,20.0,test,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21
523753,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21,315.11617,[M+H]+,20.0,test,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21
523754,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21,315.11617,[M+H]+,60.0,test,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21
523755,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21,315.11617,[M+H]+,15.0,test,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21
523756,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21,315.11617,[M+H]+,20.0,test,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21
523757,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21,315.11617,[M+H]+,60.0,test,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21
523758,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21,315.11617,[M+H]+,20.0,test,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21
523759,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21,315.11617,[M+H]+,15.0,test,CCn1c(C(=O)NCc2ccccc2OC)cc2sccc21
523760,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,315.11617,[M+H]+,15.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523761,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,315.11617,[M+H]+,15.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523762,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,315.11617,[M+H]+,20.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523763,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,315.11617,[M+H]+,60.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523764,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1,315.11617,[M+H]+,15.0,test,CC(Cc1cc2ccccc2o1)NC(=O)NCc1cccs1
523765,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523766,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523767,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,60.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523768,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,30.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523769,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523770,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,60.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523771,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,30.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523772,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,297.10562,[M+H-H2O]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523773,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,315.11617,[M+H]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523774,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,315.11617,[M+H]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523775,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,315.11617,[M+H]+,60.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523776,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,315.11617,[M+H]+,20.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523777,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1,315.11617,[M+H]+,60.0,test,Cc1csc(C(=O)NCC(O)c2cn(C)c3ccccc23)c1
523778,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1,347.08825,[M+H]+,20.0,test,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1
523779,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1,347.08825,[M+H]+,20.0,test,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1
523780,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1,347.08825,[M+H]+,60.0,test,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1
523781,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1,347.08825,[M+H]+,30.0,test,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1
523782,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1,347.08825,[M+H]+,20.0,test,O=C(c1cccs1)N1CCN(C(=O)C2CC2c2cccs2)CC1
523783,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,345.07369,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523784,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,345.07369,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523785,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,345.07369,[M-H]-,45.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523786,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,345.07369,[M-H]-,60.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523787,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,345.07369,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523788,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,345.07369,[M-H]-,45.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523789,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,345.07369,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523790,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,345.07369,[M-H]-,60.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523791,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,345.07369,[M-H]-,20.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523792,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,345.07369,[M-H]-,20.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523793,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,345.07369,[M-H]-,30.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523794,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,345.07369,[M-H]-,60.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523795,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,345.07369,[M-H]-,20.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523796,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,345.07369,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523797,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,345.07369,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523798,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,345.07369,[M-H]-,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523799,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,345.07369,[M-H]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523800,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,345.07369,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523801,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,345.07369,[M-H]-,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523802,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,345.07369,[M-H]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523803,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,345.07369,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523804,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12,347.08825,[M+H]+,20.0,test,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12
523805,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12,347.08825,[M+H]+,20.0,test,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12
523806,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12,347.08825,[M+H]+,60.0,test,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12
523807,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12,347.08825,[M+H]+,30.0,test,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12
523808,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12,347.08825,[M+H]+,20.0,test,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12
523809,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12,347.08825,[M+H]+,60.0,test,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12
523810,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12,347.08825,[M+H]+,30.0,test,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12
523811,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12,347.08825,[M+H]+,20.0,test,CCCN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12
523812,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,347.08825,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523813,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,347.08825,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523814,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,347.08825,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523815,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,347.08825,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523816,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,347.08825,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523817,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,347.08825,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523818,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,347.08825,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523819,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C,347.08825,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C
523820,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,347.08825,[M+H]+,20.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523821,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,347.08825,[M+H]+,20.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523822,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,347.08825,[M+H]+,45.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523823,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,347.08825,[M+H]+,60.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523824,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,347.08825,[M+H]+,20.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523825,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,347.08825,[M+H]+,20.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523826,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2,347.08825,[M+H]+,60.0,test,COC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
523827,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,347.08825,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523828,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,347.08825,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523829,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,347.08825,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523830,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,347.08825,[M+H]+,30.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523831,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,347.08825,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523832,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,347.08825,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523833,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,347.08825,[M+H]+,30.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523834,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,347.08825,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1
523835,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,381.08272,[M-H]-,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523836,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,381.08272,[M-H]-,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523837,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,381.08272,[M-H]-,60.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523838,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,381.08272,[M-H]-,15.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523839,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,381.08272,[M-H]-,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523840,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,381.08272,[M-H]-,20.0,test,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
523841,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,381.08272,[M-H]-,20.0,test,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
523842,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,381.08272,[M-H]-,60.0,test,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
523843,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,381.08272,[M-H]-,30.0,test,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
523844,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,381.08272,[M-H]-,20.0,test,O=C(O)c1cc(O)c2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
523845,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,400.12382,[M+NH4]+,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523846,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,400.12382,[M+NH4]+,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523847,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,400.12382,[M+NH4]+,60.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523848,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,400.12382,[M+NH4]+,15.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523849,O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=C(C(=O)O)OC1C(O)CO,400.12382,[M+NH4]+,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)OC1C(O)CO
523850,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1,315.1371,[M+H]+,20.0,test,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1
523851,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1,315.1371,[M+H]+,20.0,test,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1
523852,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1,315.1371,[M+H]+,60.0,test,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1
523853,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1,315.1371,[M+H]+,20.0,test,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1
523854,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1,315.1371,[M+H]+,60.0,test,Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1
523855,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1,315.1371,[M+H]+,20.0,test,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1
523856,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1,315.1371,[M+H]+,20.0,test,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1
523857,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1,315.1371,[M+H]+,60.0,test,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1
523858,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1,315.1371,[M+H]+,20.0,test,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1
523859,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1,315.1371,[M+H]+,60.0,test,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1
523860,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1,315.1371,[M+H]+,20.0,test,Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1
523861,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1,315.1371,[M+H]+,20.0,test,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1
523862,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1,315.1371,[M+H]+,20.0,test,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1
523863,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1,315.1371,[M+H]+,60.0,test,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1
523864,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1,315.1371,[M+H]+,20.0,test,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1
523865,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1,315.1371,[M+H]+,60.0,test,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1
523866,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1,315.1371,[M+H]+,20.0,test,Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1
523867,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,361.10729,[M-H]-,20.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523868,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,361.10729,[M-H]-,20.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523869,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,361.10729,[M-H]-,45.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523870,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,361.10729,[M-H]-,60.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523871,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,361.10729,[M-H]-,20.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523872,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,363.12184,[M+H]+,20.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523873,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,363.12184,[M+H]+,20.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523874,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,363.12184,[M+H]+,60.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523875,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,363.12184,[M+H]+,30.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523876,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,363.12184,[M+H]+,20.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523877,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,363.12184,[M+H]+,60.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523878,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,363.12184,[M+H]+,30.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523879,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,363.12184,[M+H]+,20.0,test,CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
523880,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,362.14341,[M-H]-,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523881,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,362.14341,[M-H]-,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523882,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,362.14341,[M-H]-,60.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523883,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,362.14341,[M-H]-,15.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523884,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,362.14341,[M-H]-,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523885,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,362.14341,[M-H]-,60.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523886,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,362.14341,[M-H]-,15.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523887,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,362.14341,[M-H]-,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523888,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,408.14888,[M+FA]-,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523889,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,408.14888,[M+FA]-,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523890,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,408.14888,[M+FA]-,15.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523891,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,408.14888,[M+FA]-,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523892,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,408.14888,[M+FA]-,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523893,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,364.15796,[M+H]+,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523894,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,364.15796,[M+H]+,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523895,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,364.15796,[M+H]+,30.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523896,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,364.15796,[M+H]+,60.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523897,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,364.15796,[M+H]+,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523898,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,364.15796,[M+H]+,45.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523899,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,364.15796,[M+H]+,60.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523900,CCn1nc2CCN(C(=O)NC(C)c3c(F)cncc3F)Cc2cc1=O,364.15796,[M+H]+,20.0,test,CCn1nc2c(cc1=O)CN(C(=O)NC(C)c1c(F)cncc1F)CC2
523901,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1,433.11519,[M+H]+,20.0,test,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1
523902,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1,433.11519,[M+H]+,20.0,test,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1
523903,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1,433.11519,[M+H]+,60.0,test,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1
523904,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1,433.11519,[M+H]+,20.0,test,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1
523905,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1,433.11519,[M+H]+,60.0,test,COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1
523906,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC,335.14016,[M+H]+,20.0,test,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC
523907,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC,335.14016,[M+H]+,20.0,test,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC
523908,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC,335.14016,[M+H]+,60.0,test,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC
523909,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC,335.14016,[M+H]+,30.0,test,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC
523910,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC,335.14016,[M+H]+,20.0,test,COc1cc(CNC(=O)c2ncc(F)cc2C)cc(OC)c1OC
523911,Cc1c(NS(=O)(=O)c2c(C)cc(F)cc2)cc(N2CCCS2(=O)=O)cc1,397.06975,[M-H]-,20.0,test,Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C
523912,Cc1c(NS(=O)(=O)c2c(C)cc(F)cc2)cc(N2CCCS2(=O)=O)cc1,397.06975,[M-H]-,20.0,test,Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C
523913,Cc1c(NS(=O)(=O)c2c(C)cc(F)cc2)cc(N2CCCS2(=O)=O)cc1,397.06975,[M-H]-,60.0,test,Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C
523914,Cc1c(NS(=O)(=O)c2c(C)cc(F)cc2)cc(N2CCCS2(=O)=O)cc1,397.06975,[M-H]-,20.0,test,Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C
523915,Cc1c(NS(=O)(=O)c2c(C)cc(F)cc2)cc(N2CCCS2(=O)=O)cc1,397.06975,[M-H]-,45.0,test,Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C
523916,Cc1c(NS(=O)(=O)c2c(C)cc(F)cc2)cc(N2CCCS2(=O)=O)cc1,397.06975,[M-H]-,60.0,test,Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C
523917,Cc1c(NS(=O)(=O)c2c(C)cc(F)cc2)cc(N2CCCS2(=O)=O)cc1,397.06975,[M-H]-,20.0,test,Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C
523918,Cc1c(NS(=O)(=O)c2c(C)cc(F)cc2)cc(N2CCCS2(=O)=O)cc1,397.06975,[M-H]-,45.0,test,Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C
523919,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,425.03676,[M-H]-,20.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523920,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,425.03676,[M-H]-,20.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523921,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,425.03676,[M-H]-,60.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523922,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,425.03676,[M-H]-,30.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523923,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,425.03676,[M-H]-,20.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523924,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,427.05132,[M+H]+,20.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523925,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,427.05132,[M+H]+,20.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523926,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,427.05132,[M+H]+,60.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523927,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,427.05132,[M+H]+,30.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523928,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,427.05132,[M+H]+,20.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523929,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,427.05132,[M+H]+,60.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523930,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,427.05132,[M+H]+,30.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523931,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1,427.05132,[M+H]+,20.0,test,CC1=C(C(=O)OC2CCCC2)C(c2cccc(I)c2)NC(=O)N1
523932,Cc1cc2c(cc1)[n+](C)c(-c1ccc(N(C)C)cc1)s2,283.12635,[M]+,20.0,test,Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
523933,Cc1cc2c(cc1)[n+](C)c(-c1ccc(N(C)C)cc1)s2,283.12635,[M]+,20.0,test,Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
523934,Cc1cc2c(cc1)[n+](C)c(-c1ccc(N(C)C)cc1)s2,283.12635,[M]+,60.0,test,Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
523935,Cc1cc2c(cc1)[n+](C)c(-c1ccc(N(C)C)cc1)s2,283.12635,[M]+,20.0,test,Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
523936,Cc1cc2c(cc1)[n+](C)c(-c1ccc(N(C)C)cc1)s2,283.12635,[M]+,60.0,test,Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
523937,Cc1cc2c(cc1)[n+](C)c(-c1ccc(N(C)C)cc1)s2,283.12635,[M]+,20.0,test,Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
523938,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,328.11252,[M-H]-,20.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523939,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,328.11252,[M-H]-,20.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523940,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,328.11252,[M-H]-,60.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523941,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,328.11252,[M-H]-,20.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523942,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,328.11252,[M-H]-,45.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523943,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,328.11252,[M-H]-,60.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523944,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,328.11252,[M-H]-,20.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523945,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,328.11252,[M-H]-,45.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523946,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,330.12707,[M+H]+,20.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523947,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,330.12707,[M+H]+,20.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523948,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,330.12707,[M+H]+,60.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523949,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,330.12707,[M+H]+,30.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523950,CC(CNC(=O)c1cc2c(cc1)[nH]c(=O)n2C)Cc1cccs1,330.12707,[M+H]+,20.0,test,CC(CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1cccs1
523951,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1,330.12707,[M+H]+,20.0,test,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1
523952,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1,330.12707,[M+H]+,20.0,test,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1
523953,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1,330.12707,[M+H]+,60.0,test,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1
523954,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1,330.12707,[M+H]+,30.0,test,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1
523955,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1,330.12707,[M+H]+,20.0,test,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1
523956,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1,330.12707,[M+H]+,60.0,test,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1
523957,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1,330.12707,[M+H]+,30.0,test,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1
523958,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1,330.12707,[M+H]+,20.0,test,Cc1cn2c(=O)cc(CNC(CO)c3ccccc3C)nc2s1
523959,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,328.11252,[M-H]-,20.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523960,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,328.11252,[M-H]-,20.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523961,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,328.11252,[M-H]-,60.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523962,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,328.11252,[M-H]-,30.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523963,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,328.11252,[M-H]-,20.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523964,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,330.12707,[M+H]+,20.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523965,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,330.12707,[M+H]+,20.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523966,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,330.12707,[M+H]+,60.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523967,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,330.12707,[M+H]+,30.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523968,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,330.12707,[M+H]+,20.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523969,COc1cc2c(cc1)nc(SCc1ncc(C)c(OC)c1C)[nH]2,330.12707,[M+H]+,20.0,test,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
523970,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,328.11252,[M-H]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523971,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,328.11252,[M-H]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523972,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,328.11252,[M-H]-,60.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523973,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,328.11252,[M-H]-,15.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523974,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,328.11252,[M-H]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523975,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,328.11252,[M-H]-,15.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523976,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,328.11252,[M-H]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523977,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,328.11252,[M-H]-,60.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523978,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,364.0892,[M+Cl]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523979,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,364.0892,[M+Cl]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523980,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,364.0892,[M+Cl]-,60.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523981,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,364.0892,[M+Cl]-,15.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523982,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,364.0892,[M+Cl]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523983,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,374.118,[M+FA]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523984,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,374.118,[M+FA]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523985,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,374.118,[M+FA]-,60.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523986,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,374.118,[M+FA]-,15.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523987,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,374.118,[M+FA]-,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
523988,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,328.11252,[M-H]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523989,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,328.11252,[M-H]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523990,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,328.11252,[M-H]-,60.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523991,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,328.11252,[M-H]-,30.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523992,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,328.11252,[M-H]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523993,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,328.11252,[M-H]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523994,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,328.11252,[M-H]-,60.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523995,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,374.118,[M+FA]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523996,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,374.118,[M+FA]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523997,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,374.118,[M+FA]-,60.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523998,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,374.118,[M+FA]-,15.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
523999,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,374.118,[M+FA]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524000,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,374.118,[M+FA]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524001,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,374.118,[M+FA]-,60.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524002,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,374.118,[M+FA]-,15.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524003,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,328.11252,[M-H]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524004,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,328.11252,[M-H]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524005,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,328.11252,[M-H]-,60.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524006,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,328.11252,[M-H]-,30.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524007,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,328.11252,[M-H]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524008,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,328.11252,[M-H]-,30.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524009,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,328.11252,[M-H]-,60.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524010,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,328.11252,[M-H]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524011,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,364.0892,[M+Cl]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524012,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,364.0892,[M+Cl]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524013,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,364.0892,[M+Cl]-,60.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524014,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,364.0892,[M+Cl]-,15.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524015,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,364.0892,[M+Cl]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524016,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,374.118,[M+FA]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524017,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,374.118,[M+FA]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524018,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,374.118,[M+FA]-,60.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524019,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,374.118,[M+FA]-,15.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524020,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,374.118,[M+FA]-,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524021,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,328.11252,[M-H]-,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524022,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,328.11252,[M-H]-,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524023,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,328.11252,[M-H]-,60.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524024,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,328.11252,[M-H]-,30.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524025,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,328.11252,[M-H]-,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524026,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,374.118,[M+FA]-,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524027,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,374.118,[M+FA]-,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524028,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,374.118,[M+FA]-,60.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524029,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,374.118,[M+FA]-,15.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524030,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,374.118,[M+FA]-,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524031,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,374.118,[M+FA]-,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524032,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,374.118,[M+FA]-,60.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524033,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,374.118,[M+FA]-,15.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524034,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,328.11252,[M-H]-,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524035,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,328.11252,[M-H]-,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524036,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,328.11252,[M-H]-,60.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524037,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,328.11252,[M-H]-,30.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524038,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,328.11252,[M-H]-,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524039,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,328.11252,[M-H]-,30.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524040,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,328.11252,[M-H]-,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524041,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,328.11252,[M-H]-,60.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524042,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,364.0892,[M+Cl]-,20.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524043,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,364.0892,[M+Cl]-,20.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524044,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,364.0892,[M+Cl]-,60.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524045,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,364.0892,[M+Cl]-,15.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524046,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,364.0892,[M+Cl]-,20.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524047,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,374.118,[M+FA]-,20.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524048,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,374.118,[M+FA]-,20.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524049,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,374.118,[M+FA]-,60.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524050,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,374.118,[M+FA]-,15.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524051,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,374.118,[M+FA]-,20.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524052,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,374.118,[M+FA]-,15.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524053,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,374.118,[M+FA]-,20.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524054,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21,374.118,[M+FA]-,60.0,test,Cn1cc(C(O)CNC(=O)NCc2cccs2)c2ccccc21
524055,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,328.11252,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524056,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,328.11252,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524057,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,328.11252,[M-H]-,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524058,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,328.11252,[M-H]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524059,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,328.11252,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524060,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,328.11252,[M-H]-,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524061,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,328.11252,[M-H]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524062,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,328.11252,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524063,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,328.11252,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524064,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,328.11252,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524065,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,328.11252,[M-H]-,60.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524066,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,328.11252,[M-H]-,30.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524067,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,328.11252,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524068,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,328.11252,[M-H]-,30.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524069,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,328.11252,[M-H]-,60.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524070,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,328.11252,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524071,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,328.11252,[M-H]-,20.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524072,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,328.11252,[M-H]-,20.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524073,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,328.11252,[M-H]-,45.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524074,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,328.11252,[M-H]-,60.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524075,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,328.11252,[M-H]-,20.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524076,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,328.11252,[M-H]-,20.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524077,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,328.11252,[M-H]-,20.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524078,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,328.11252,[M-H]-,45.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524079,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,328.11252,[M-H]-,60.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524080,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,328.11252,[M-H]-,20.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524081,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,312.11651,[M+H-H2O]+,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524082,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,312.11651,[M+H-H2O]+,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524083,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,312.11651,[M+H-H2O]+,60.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524084,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,312.11651,[M+H-H2O]+,30.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524085,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,312.11651,[M+H-H2O]+,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524086,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,330.12707,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524087,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,330.12707,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524088,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,330.12707,[M+H]+,60.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524089,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,330.12707,[M+H]+,15.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524090,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1,330.12707,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1
524091,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,330.12707,[M+H]+,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524092,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,330.12707,[M+H]+,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524093,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,330.12707,[M+H]+,60.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524094,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,330.12707,[M+H]+,15.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524095,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1,330.12707,[M+H]+,20.0,test,CC(=O)N1CCc2ccc(NC(=O)NCc3cccs3)cc2C1
524096,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1,330.12707,[M+H]+,20.0,test,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1
524097,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1,330.12707,[M+H]+,20.0,test,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1
524098,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1,330.12707,[M+H]+,60.0,test,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1
524099,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1,330.12707,[M+H]+,30.0,test,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1
524100,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1,330.12707,[M+H]+,20.0,test,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1
524101,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1,330.12707,[M+H]+,60.0,test,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1
524102,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1,330.12707,[M+H]+,30.0,test,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1
524103,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1,330.12707,[M+H]+,20.0,test,Cc1csc(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)c1
524104,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,330.12707,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
524105,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,330.12707,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
524106,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,330.12707,[M+H]+,60.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
524107,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,330.12707,[M+H]+,15.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
524108,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C,330.12707,[M+H]+,20.0,test,Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C
524109,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,330.12707,[M+H]+,20.0,test,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
524110,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,330.12707,[M+H]+,20.0,test,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
524111,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,330.12707,[M+H]+,60.0,test,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
524112,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,330.12707,[M+H]+,15.0,test,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
524113,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,330.12707,[M+H]+,20.0,test,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
524114,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,330.12707,[M+H]+,20.0,test,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
524115,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,330.12707,[M+H]+,15.0,test,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
524116,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,330.12707,[M+H]+,60.0,test,CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
524117,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,330.12707,[M+H]+,20.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524118,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,330.12707,[M+H]+,20.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524119,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,330.12707,[M+H]+,45.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524120,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,330.12707,[M+H]+,60.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524121,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,330.12707,[M+H]+,20.0,test,CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1
524122,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,312.11651,[M+H-H2O]+,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524123,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,312.11651,[M+H-H2O]+,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524124,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,312.11651,[M+H-H2O]+,60.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524125,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,312.11651,[M+H-H2O]+,30.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524126,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,312.11651,[M+H-H2O]+,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524127,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,330.12707,[M+H]+,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524128,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,330.12707,[M+H]+,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524129,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,330.12707,[M+H]+,60.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524130,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,330.12707,[M+H]+,15.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524131,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1,330.12707,[M+H]+,20.0,test,Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1
524132,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1,330.12707,[M+H]+,20.0,test,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1
524133,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1,330.12707,[M+H]+,20.0,test,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1
524134,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1,330.12707,[M+H]+,60.0,test,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1
524135,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1,330.12707,[M+H]+,30.0,test,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1
524136,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1,330.12707,[M+H]+,20.0,test,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1
524137,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1,330.12707,[M+H]+,60.0,test,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1
524138,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1,330.12707,[M+H]+,30.0,test,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1
524139,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1,330.12707,[M+H]+,20.0,test,CCC(C(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1
524140,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,330.12707,[M+H]+,20.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524141,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,330.12707,[M+H]+,20.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524142,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,330.12707,[M+H]+,60.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524143,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,330.12707,[M+H]+,30.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524144,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1,330.12707,[M+H]+,20.0,test,CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1
524145,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1,330.12707,[M+H]+,20.0,test,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
524146,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1,330.12707,[M+H]+,20.0,test,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
524147,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1,330.12707,[M+H]+,60.0,test,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
524148,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1,330.12707,[M+H]+,15.0,test,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
524149,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1,330.12707,[M+H]+,20.0,test,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
524150,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1,330.12707,[M+H]+,60.0,test,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
524151,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1,330.12707,[M+H]+,20.0,test,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
524152,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1,330.12707,[M+H]+,15.0,test,Cc1csc(C(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
524153,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,330.12707,[M+H]+,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524154,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,330.12707,[M+H]+,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524155,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,330.12707,[M+H]+,60.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524156,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,330.12707,[M+H]+,30.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524157,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,330.12707,[M+H]+,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524158,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,330.12707,[M+H]+,30.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524159,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,330.12707,[M+H]+,60.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524160,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1,330.12707,[M+H]+,20.0,test,O=C(NCCc1ccncc1)c1ccc(OC2CCSC2)nc1
524161,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,330.12707,[M+H]+,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524162,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,330.12707,[M+H]+,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524163,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,330.12707,[M+H]+,45.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524164,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,330.12707,[M+H]+,60.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524165,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,330.12707,[M+H]+,20.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524166,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,330.12707,[M+H]+,45.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524167,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12,330.12707,[M+H]+,60.0,test,COCCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
524168,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1,330.12707,[M+H]+,20.0,test,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1
524169,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1,330.12707,[M+H]+,20.0,test,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1
524170,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1,330.12707,[M+H]+,60.0,test,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1
524171,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1,330.12707,[M+H]+,30.0,test,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1
524172,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1,330.12707,[M+H]+,20.0,test,CC(C)Oc1ccccc1C(=O)NC(=S)NCc1cccnc1
524173,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,330.12707,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524174,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,330.12707,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524175,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,330.12707,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524176,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,330.12707,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524177,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,330.12707,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524178,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,330.12707,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524179,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,330.12707,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524180,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C,330.12707,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C
524181,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1,330.12707,[M+H]+,20.0,test,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1
524182,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1,330.12707,[M+H]+,20.0,test,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1
524183,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1,330.12707,[M+H]+,45.0,test,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1
524184,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1,330.12707,[M+H]+,60.0,test,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1
524185,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1,330.12707,[M+H]+,20.0,test,CSc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1
524186,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,384.14258,[M-H]-,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524187,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,384.14258,[M-H]-,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524188,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,384.14258,[M-H]-,60.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524189,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,384.14258,[M-H]-,15.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524190,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,384.14258,[M-H]-,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524191,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,430.14805,[M+FA]-,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524192,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,430.14805,[M+FA]-,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524193,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,430.14805,[M+FA]-,60.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524194,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,430.14805,[M+FA]-,15.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524195,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,430.14805,[M+FA]-,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524196,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,430.14805,[M+FA]-,60.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524197,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,430.14805,[M+FA]-,15.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524198,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,430.14805,[M+FA]-,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524199,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,386.15713,[M+H]+,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524200,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,386.15713,[M+H]+,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524201,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,386.15713,[M+H]+,60.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524202,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,386.15713,[M+H]+,15.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524203,Cc1c(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccco2)o1,386.15713,[M+H]+,20.0,test,Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
524204,CN1CCOC(c2ccccc2)c2ccccc2C1,254.15394,[M+H]+,20.0,test,CN1CCOC(c2ccccc2)c2ccccc2C1
524205,CN1CCOC(c2ccccc2)c2ccccc2C1,254.15394,[M+H]+,20.0,test,CN1CCOC(c2ccccc2)c2ccccc2C1
524206,CN1CCOC(c2ccccc2)c2ccccc2C1,254.15394,[M+H]+,60.0,test,CN1CCOC(c2ccccc2)c2ccccc2C1
524207,CN1CCOC(c2ccccc2)c2ccccc2C1,254.15394,[M+H]+,20.0,test,CN1CCOC(c2ccccc2)c2ccccc2C1
524208,CN1CCOC(c2ccccc2)c2ccccc2C1,254.15394,[M+H]+,45.0,test,CN1CCOC(c2ccccc2)c2ccccc2C1
524209,CN1CCOC(c2ccccc2)c2ccccc2C1,254.15394,[M+H]+,60.0,test,CN1CCOC(c2ccccc2)c2ccccc2C1
524210,CN1CCOC(c2ccccc2)c2ccccc2C1,254.15394,[M+H]+,20.0,test,CN1CCOC(c2ccccc2)c2ccccc2C1
524211,CN1CCOC(c2ccccc2)c2ccccc2C1,254.15394,[M+H]+,45.0,test,CN1CCOC(c2ccccc2)c2ccccc2C1
524212,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,236.14338,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524213,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,236.14338,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524214,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,236.14338,[M+H-H2O]+,45.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524215,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,236.14338,[M+H-H2O]+,60.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524216,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,236.14338,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524217,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,236.14338,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524218,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,236.14338,[M+H-H2O]+,60.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524219,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,236.14338,[M+H-H2O]+,45.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524220,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,254.15394,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524221,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,254.15394,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524222,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,254.15394,[M+H]+,60.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524223,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,254.15394,[M+H]+,15.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524224,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,254.15394,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524225,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,254.15394,[M+H]+,60.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524226,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,254.15394,[M+H]+,15.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524227,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1,254.15394,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
524228,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,236.14338,[M+H-H2O]+,20.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524229,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,236.14338,[M+H-H2O]+,45.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524230,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,236.14338,[M+H-H2O]+,60.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524231,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,236.14338,[M+H-H2O]+,20.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524232,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,20.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524233,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,20.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524234,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,60.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524235,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,15.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524236,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,20.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524237,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,20.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524238,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,60.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524239,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,15.0,test,C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
524240,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,20.0,test,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1
524241,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,20.0,test,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1
524242,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,60.0,test,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1
524243,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,15.0,test,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1
524244,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,20.0,test,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1
524245,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,60.0,test,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1
524246,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,20.0,test,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1
524247,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1,254.15394,[M+H]+,15.0,test,C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1
524248,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,236.14338,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524249,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,236.14338,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524250,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,236.14338,[M+H-H2O]+,45.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524251,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,236.14338,[M+H-H2O]+,60.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524252,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,236.14338,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524253,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,236.14338,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524254,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,236.14338,[M+H-H2O]+,60.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524255,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,236.14338,[M+H-H2O]+,45.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524256,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,254.15394,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524257,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,254.15394,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524258,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,254.15394,[M+H]+,60.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524259,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,254.15394,[M+H]+,15.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524260,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,254.15394,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524261,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,254.15394,[M+H]+,15.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524262,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,254.15394,[M+H]+,60.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524263,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1,254.15394,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
524264,O=S(=O)(c1cc2c(cc1)OCCCO2)N1CCC(c2cscc2)C1,366.08283,[M+H]+,20.0,test,O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC(c2ccsc2)C1
524265,O=S(=O)(c1cc2c(cc1)OCCCO2)N1CCC(c2cscc2)C1,366.08283,[M+H]+,20.0,test,O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC(c2ccsc2)C1
524266,O=S(=O)(c1cc2c(cc1)OCCCO2)N1CCC(c2cscc2)C1,366.08283,[M+H]+,60.0,test,O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC(c2ccsc2)C1
524267,O=S(=O)(c1cc2c(cc1)OCCCO2)N1CCC(c2cscc2)C1,366.08283,[M+H]+,30.0,test,O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC(c2ccsc2)C1
524268,O=S(=O)(c1cc2c(cc1)OCCCO2)N1CCC(c2cscc2)C1,366.08283,[M+H]+,20.0,test,O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC(c2ccsc2)C1
524269,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,316.11905,[M-H]-,20.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524270,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,316.11905,[M-H]-,20.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524271,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,316.11905,[M-H]-,60.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524272,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,316.11905,[M-H]-,20.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524273,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,316.11905,[M-H]-,45.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524274,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,316.11905,[M-H]-,60.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524275,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,316.11905,[M-H]-,20.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524276,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,316.11905,[M-H]-,45.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524277,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,318.1336,[M+H]+,20.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524278,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,318.1336,[M+H]+,20.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524279,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,318.1336,[M+H]+,60.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524280,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,318.1336,[M+H]+,30.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524281,COc1cc2c(cc1)OCC(C(=O)N1CCC(C(=O)O)CC1)=C2,318.1336,[M+H]+,20.0,test,COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)O)CC1)CO2
524282,COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC,318.1336,[M+H]+,15.0,test,COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC
524283,COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC,318.1336,[M+H]+,15.0,test,COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC
524284,COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC,318.1336,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC
524285,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1,318.1336,[M+H]+,20.0,test,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1
524286,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1,318.1336,[M+H]+,20.0,test,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1
524287,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1,318.1336,[M+H]+,60.0,test,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1
524288,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1,318.1336,[M+H]+,15.0,test,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1
524289,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1,318.1336,[M+H]+,20.0,test,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1
524290,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1,318.1336,[M+H]+,20.0,test,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1
524291,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1,318.1336,[M+H]+,15.0,test,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1
524292,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1,318.1336,[M+H]+,60.0,test,COCCN(Cc1ccoc1)C(=O)C1COc2ccccc2O1
524293,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1,318.1336,[M+H]+,20.0,test,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1
524294,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1,318.1336,[M+H]+,20.0,test,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1
524295,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1,318.1336,[M+H]+,60.0,test,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1
524296,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1,318.1336,[M+H]+,15.0,test,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1
524297,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1,318.1336,[M+H]+,20.0,test,COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1
524298,O=C(CSCc1ccccc1)NCC1(c2cscc2)CC1,318.09808,[M+H]+,30.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524299,O=C(CSCc1ccccc1)NCC1(c2cscc2)CC1,318.09808,[M+H]+,30.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524300,O=C(CSCc1ccccc1)NCC1(c2cscc2)CC1,318.09808,[M+H]+,20.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524301,O=C(CSCc1ccccc1)NCC1(c2cscc2)CC1,318.09808,[M+H]+,60.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524302,O=C(CSCc1ccccc1)NCC1(c2cscc2)CC1,318.09808,[M+H]+,30.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524303,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,20.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524304,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,20.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524305,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,60.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524306,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,15.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524307,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,20.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524308,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,60.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524309,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,20.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524310,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,15.0,test,O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1
524311,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1,318.09808,[M+H]+,20.0,test,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1
524312,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1,318.09808,[M+H]+,20.0,test,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1
524313,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1,318.09808,[M+H]+,60.0,test,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1
524314,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1,318.09808,[M+H]+,30.0,test,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1
524315,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1,318.09808,[M+H]+,20.0,test,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1
524316,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1,318.09808,[M+H]+,30.0,test,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1
524317,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1,318.09808,[M+H]+,20.0,test,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1
524318,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1,318.09808,[M+H]+,60.0,test,CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1
524319,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,318.09808,[M+H]+,20.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524320,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,318.09808,[M+H]+,20.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524321,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,318.09808,[M+H]+,60.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524322,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,318.09808,[M+H]+,15.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524323,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,318.09808,[M+H]+,20.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524324,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,335.12463,[M+NH4]+,20.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524325,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,335.12463,[M+NH4]+,20.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524326,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,335.12463,[M+NH4]+,45.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524327,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,335.12463,[M+NH4]+,60.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524328,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1,335.12463,[M+NH4]+,20.0,test,CSc1ccccc1NC(=O)C1(c2cccs2)CCCC1
524329,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1,318.09808,[M+H]+,20.0,test,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1
524330,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1,318.09808,[M+H]+,20.0,test,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1
524331,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1,318.09808,[M+H]+,60.0,test,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1
524332,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1,318.09808,[M+H]+,30.0,test,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1
524333,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1,318.09808,[M+H]+,20.0,test,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1
524334,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1,318.09808,[M+H]+,30.0,test,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1
524335,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1,318.09808,[M+H]+,60.0,test,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1
524336,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1,318.09808,[M+H]+,20.0,test,O=C(NCCc1ccc(-c2cccs2)s1)C1CC=CCC1
524337,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,20.0,test,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1
524338,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,20.0,test,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1
524339,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,60.0,test,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1
524340,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,15.0,test,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1
524341,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,20.0,test,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1
524342,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,60.0,test,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1
524343,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,20.0,test,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1
524344,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1,318.09808,[M+H]+,15.0,test,CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1
524345,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1,390.0924,[M+H]+,20.0,test,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1
524346,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1,390.0924,[M+H]+,20.0,test,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1
524347,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1,390.0924,[M+H]+,60.0,test,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1
524348,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1,390.0924,[M+H]+,30.0,test,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1
524349,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1,390.0924,[M+H]+,20.0,test,O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(Br)cn2)CC1
524350,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,434.1349,[M+FA]-,20.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524351,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,434.1349,[M+FA]-,20.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524352,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,434.1349,[M+FA]-,60.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524353,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,434.1349,[M+FA]-,15.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524354,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,434.1349,[M+FA]-,20.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524355,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,390.14398,[M+H]+,20.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524356,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,390.14398,[M+H]+,20.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524357,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,390.14398,[M+H]+,60.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524358,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,390.14398,[M+H]+,15.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524359,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c2cccc3Cl)CC1,390.14398,[M+H]+,20.0,test,O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCc3c(Cl)cccc32)CC1
524360,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1,356.15804,[M+H]+,20.0,test,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1
524361,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1,356.15804,[M+H]+,20.0,test,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1
524362,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1,356.15804,[M+H]+,60.0,test,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1
524363,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1,356.15804,[M+H]+,15.0,test,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1
524364,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1,356.15804,[M+H]+,20.0,test,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1
524365,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1,356.15804,[M+H]+,60.0,test,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1
524366,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1,356.15804,[M+H]+,15.0,test,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1
524367,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1,356.15804,[M+H]+,20.0,test,CN(Cc1nnc(-c2ccccc2O)o1)C1CCC(C(F)(F)F)CC1
524368,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C,354.14349,[M-H]-,20.0,test,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C
524369,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C,354.14349,[M-H]-,20.0,test,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C
524370,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C,354.14349,[M-H]-,45.0,test,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C
524371,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C,354.14349,[M-H]-,60.0,test,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C
524372,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C,354.14349,[M-H]-,20.0,test,COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)nn1C
524373,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1,356.15804,[M+H]+,20.0,test,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1
524374,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1,356.15804,[M+H]+,20.0,test,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1
524375,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1,356.15804,[M+H]+,60.0,test,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1
524376,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1,356.15804,[M+H]+,30.0,test,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1
524377,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1,356.15804,[M+H]+,20.0,test,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1
524378,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1,356.15804,[M+H]+,60.0,test,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1
524379,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1,356.15804,[M+H]+,30.0,test,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1
524380,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1,356.15804,[M+H]+,20.0,test,Cc1cc(CN2CCCC(COc3ncccc3C(F)(F)F)C2)on1
524381,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1,356.15804,[M+H]+,20.0,test,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1
524382,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1,356.15804,[M+H]+,20.0,test,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1
524383,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1,356.15804,[M+H]+,60.0,test,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1
524384,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1,356.15804,[M+H]+,15.0,test,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1
524385,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1,356.15804,[M+H]+,20.0,test,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1
524386,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1,356.15804,[M+H]+,20.0,test,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1
524387,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1,356.15804,[M+H]+,15.0,test,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1
524388,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1,356.15804,[M+H]+,60.0,test,O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1
524389,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1,317.13182,[M+H]+,20.0,test,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1
524390,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1,317.13182,[M+H]+,20.0,test,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1
524391,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1,317.13182,[M+H]+,30.0,test,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1
524392,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1,317.13182,[M+H]+,60.0,test,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1
524393,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1,317.13182,[M+H]+,20.0,test,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1
524394,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1,317.13182,[M+H]+,45.0,test,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1
524395,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1,317.13182,[M+H]+,60.0,test,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1
524396,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1,317.13182,[M+H]+,20.0,test,Cc1ccccc1-c1nc(C(=O)N2CCOCC(C)C2)cs1
524397,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1,317.13182,[M+H]+,20.0,test,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1
524398,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1,317.13182,[M+H]+,20.0,test,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1
524399,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1,317.13182,[M+H]+,60.0,test,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1
524400,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1,317.13182,[M+H]+,30.0,test,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1
524401,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1,317.13182,[M+H]+,20.0,test,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1
524402,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1,317.13182,[M+H]+,60.0,test,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1
524403,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1,317.13182,[M+H]+,30.0,test,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1
524404,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1,317.13182,[M+H]+,20.0,test,COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1
524405,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,20.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524406,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,20.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524407,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,15.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524408,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,60.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524409,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,30.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524410,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,20.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524411,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,60.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524412,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,20.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524413,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,20.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524414,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,20.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524415,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,60.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524416,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,15.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524417,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,20.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524418,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,60.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524419,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,15.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524420,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,317.13182,[M+H]+,20.0,test,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
524421,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,361.12275,[M+FA]-,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524422,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,361.12275,[M+FA]-,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524423,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,361.12275,[M+FA]-,60.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524424,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,361.12275,[M+FA]-,15.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524425,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,361.12275,[M+FA]-,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524426,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524427,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524428,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524429,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524430,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524431,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524432,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524433,COc1ccc(-c2nc(=S)c3c(CCCC3)n2CCO)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524434,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524435,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524436,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524437,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524438,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524439,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524440,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524441,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524442,CCOc1ccc(NC(=O)CN2CCc3c(ccs3)C2)cc1,317.13182,[M+H]+,20.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524443,CCOc1ccc(NC(=O)CN2CCc3c(ccs3)C2)cc1,317.13182,[M+H]+,20.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524444,CCOc1ccc(NC(=O)CN2CCc3c(ccs3)C2)cc1,317.13182,[M+H]+,60.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524445,CCOc1ccc(NC(=O)CN2CCc3c(ccs3)C2)cc1,317.13182,[M+H]+,30.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524446,CCOc1ccc(NC(=O)CN2CCc3c(ccs3)C2)cc1,317.13182,[M+H]+,20.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524447,CCOc1ccc(NC(=O)CN2CCc3c(ccs3)C2)cc1,317.13182,[M+H]+,60.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524448,CCOc1ccc(NC(=O)CN2CCc3c(ccs3)C2)cc1,317.13182,[M+H]+,30.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524449,CCOc1ccc(NC(=O)CN2CCc3c(ccs3)C2)cc1,317.13182,[M+H]+,20.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524450,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524451,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524452,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,60.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524453,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,30.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524454,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524455,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,60.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524456,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,30.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524457,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524458,CN(Cc1cc2c(cc1)OCCO2)Cc1csc(C2CC2)n1,317.13182,[M+H]+,20.0,test,CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1
524459,CN(Cc1cc2c(cc1)OCCO2)Cc1csc(C2CC2)n1,317.13182,[M+H]+,20.0,test,CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1
524460,CN(Cc1cc2c(cc1)OCCO2)Cc1csc(C2CC2)n1,317.13182,[M+H]+,60.0,test,CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1
524461,CN(Cc1cc2c(cc1)OCCO2)Cc1csc(C2CC2)n1,317.13182,[M+H]+,30.0,test,CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1
524462,CN(Cc1cc2c(cc1)OCCO2)Cc1csc(C2CC2)n1,317.13182,[M+H]+,20.0,test,CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1
524463,CN(Cc1cc2c(cc1)OCCO2)Cc1csc(C2CC2)n1,317.13182,[M+H]+,60.0,test,CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1
524464,CN(Cc1cc2c(cc1)OCCO2)Cc1csc(C2CC2)n1,317.13182,[M+H]+,30.0,test,CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1
524465,CN(Cc1cc2c(cc1)OCCO2)Cc1csc(C2CC2)n1,317.13182,[M+H]+,20.0,test,CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1
524466,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,361.12275,[M+FA]-,20.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524467,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,361.12275,[M+FA]-,20.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524468,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,361.12275,[M+FA]-,60.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524469,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,361.12275,[M+FA]-,15.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524470,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,361.12275,[M+FA]-,20.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524471,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,361.12275,[M+FA]-,15.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524472,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,361.12275,[M+FA]-,20.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524473,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,361.12275,[M+FA]-,60.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524474,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,315.11727,[M-H]-,20.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524475,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,315.11727,[M-H]-,20.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524476,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,315.11727,[M-H]-,60.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524477,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,315.11727,[M-H]-,30.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524478,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,315.11727,[M-H]-,20.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524479,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,361.12275,[M+FA]-,60.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524480,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,361.12275,[M+FA]-,15.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524481,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,361.12275,[M+FA]-,20.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524482,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,315.11727,[M-H]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524483,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,315.11727,[M-H]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524484,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,315.11727,[M-H]-,60.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524485,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,315.11727,[M-H]-,15.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524486,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,315.11727,[M-H]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524487,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,351.09395,[M+Cl]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524488,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,351.09395,[M+Cl]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524489,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,351.09395,[M+Cl]-,60.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524490,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,351.09395,[M+Cl]-,15.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524491,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,351.09395,[M+Cl]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524492,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,361.12275,[M+FA]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524493,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,361.12275,[M+FA]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524494,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,361.12275,[M+FA]-,60.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524495,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,361.12275,[M+FA]-,15.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524496,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,361.12275,[M+FA]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524497,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,361.12275,[M+FA]-,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524498,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,361.12275,[M+FA]-,15.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524499,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,361.12275,[M+FA]-,60.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524500,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,361.12275,[M+FA]-,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524501,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,361.12275,[M+FA]-,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524502,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,361.12275,[M+FA]-,60.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524503,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,361.12275,[M+FA]-,15.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524504,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,361.12275,[M+FA]-,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524505,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,361.12275,[M+FA]-,15.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524506,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,361.12275,[M+FA]-,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524507,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,361.12275,[M+FA]-,60.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524508,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,299.12126,[M+H-H2O]+,20.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524509,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,299.12126,[M+H-H2O]+,20.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524510,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,299.12126,[M+H-H2O]+,60.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524511,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,299.12126,[M+H-H2O]+,15.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524512,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,299.12126,[M+H-H2O]+,20.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524513,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,317.13182,[M+H]+,15.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524514,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,317.13182,[M+H]+,15.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524515,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,317.13182,[M+H]+,20.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524516,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,317.13182,[M+H]+,60.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524517,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1,317.13182,[M+H]+,15.0,test,CSc1ccc(C(O)CNC(=O)NCc2ccccc2)cc1
524518,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524519,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524520,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524521,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524522,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524523,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524524,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(-c2nc(=S)c3c(n2CCO)CCCC3)cc1
524525,CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1,317.13182,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1
524526,CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1,317.13182,[M+H]+,60.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1
524527,CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1,317.13182,[M+H]+,15.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1
524528,CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1,317.13182,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1
524529,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1,317.13182,[M+H]+,20.0,test,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1
524530,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1,317.13182,[M+H]+,20.0,test,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1
524531,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1,317.13182,[M+H]+,60.0,test,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1
524532,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1,317.13182,[M+H]+,15.0,test,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1
524533,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1,317.13182,[M+H]+,20.0,test,O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1
524534,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1,317.13182,[M+H]+,20.0,test,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1
524535,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1,317.13182,[M+H]+,20.0,test,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1
524536,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1,317.13182,[M+H]+,45.0,test,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1
524537,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1,317.13182,[M+H]+,60.0,test,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1
524538,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1,317.13182,[M+H]+,20.0,test,O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1
524539,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524540,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524541,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,60.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524542,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,30.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524543,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1,317.13182,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(C)o1
524544,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1,317.13182,[M+H]+,20.0,test,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1
524545,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1,317.13182,[M+H]+,20.0,test,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1
524546,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1,317.13182,[M+H]+,60.0,test,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1
524547,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1,317.13182,[M+H]+,30.0,test,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1
524548,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1,317.13182,[M+H]+,20.0,test,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1
524549,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1,317.13182,[M+H]+,20.0,test,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1
524550,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1,317.13182,[M+H]+,30.0,test,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1
524551,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1,317.13182,[M+H]+,60.0,test,Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1
524552,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1,317.13182,[M+H]+,20.0,test,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
524553,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1,317.13182,[M+H]+,20.0,test,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
524554,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1,317.13182,[M+H]+,60.0,test,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
524555,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1,317.13182,[M+H]+,30.0,test,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
524556,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1,317.13182,[M+H]+,20.0,test,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
524557,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1,317.13182,[M+H]+,30.0,test,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
524558,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1,317.13182,[M+H]+,60.0,test,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
524559,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1,317.13182,[M+H]+,20.0,test,Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
524560,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1,317.13182,[M+H]+,45.0,test,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1
524561,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1,317.13182,[M+H]+,45.0,test,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1
524562,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1,317.13182,[M+H]+,45.0,test,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1
524563,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1,317.13182,[M+H]+,20.0,test,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1
524564,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1,317.13182,[M+H]+,60.0,test,Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC(C)C3)c1
524565,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1,317.13182,[M+H]+,20.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524566,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1,317.13182,[M+H]+,20.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524567,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1,317.13182,[M+H]+,60.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524568,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1,317.13182,[M+H]+,30.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524569,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1,317.13182,[M+H]+,20.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524570,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1,317.13182,[M+H]+,30.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524571,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1,317.13182,[M+H]+,60.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524572,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1,317.13182,[M+H]+,20.0,test,CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1
524573,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,317.13182,[M+H]+,30.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524574,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,317.13182,[M+H]+,30.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524575,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,317.13182,[M+H]+,20.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524576,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,317.13182,[M+H]+,30.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524577,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1,317.13182,[M+H]+,30.0,test,Cc1ccc(OCCCSc2nc(=O)c3c([nH]2)CCC3)cc1
524578,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524579,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524580,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524581,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524582,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524583,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524584,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524585,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1
524586,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,317.13182,[M+H]+,20.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524587,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,317.13182,[M+H]+,20.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524588,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,317.13182,[M+H]+,60.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524589,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,317.13182,[M+H]+,15.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524590,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,317.13182,[M+H]+,20.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524591,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,334.15837,[M+NH4]+,20.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524592,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,334.15837,[M+NH4]+,20.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524593,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,334.15837,[M+NH4]+,60.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524594,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,334.15837,[M+NH4]+,30.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524595,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,334.15837,[M+NH4]+,20.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524596,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,334.15837,[M+NH4]+,30.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524597,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,334.15837,[M+NH4]+,20.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524598,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1,334.15837,[M+NH4]+,60.0,test,CC(Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1
524599,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,299.12126,[M+H-H2O]+,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524600,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,299.12126,[M+H-H2O]+,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524601,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,299.12126,[M+H-H2O]+,60.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524602,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,299.12126,[M+H-H2O]+,15.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524603,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1,299.12126,[M+H-H2O]+,20.0,test,CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1
524604,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
524605,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
524606,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
524607,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
524608,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
524609,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1,317.13182,[M+H]+,60.0,test,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
524610,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1,317.13182,[M+H]+,45.0,test,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
524611,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1,317.13182,[M+H]+,20.0,test,COc1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
524612,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,363.08426,[M-H]-,20.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524613,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,363.08426,[M-H]-,20.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524614,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,363.08426,[M-H]-,60.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524615,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,363.08426,[M-H]-,15.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524616,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,363.08426,[M-H]-,20.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524617,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,363.08426,[M-H]-,60.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524618,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,363.08426,[M-H]-,15.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524619,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,363.08426,[M-H]-,20.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524620,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,365.09881,[M+H]+,20.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524621,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,365.09881,[M+H]+,20.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524622,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,365.09881,[M+H]+,60.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524623,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,365.09881,[M+H]+,15.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524624,CCOC(=O)c1c(NC(=S)NC2CCCC2)scc1-c1ccco1,365.09881,[M+H]+,20.0,test,CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1
524625,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,315.13503,[M-H]-,20.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524626,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,315.13503,[M-H]-,20.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524627,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,315.13503,[M-H]-,60.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524628,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,315.13503,[M-H]-,20.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524629,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,315.13503,[M-H]-,45.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524630,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,317.14958,[M+H]+,20.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524631,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,317.14958,[M+H]+,20.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524632,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,317.14958,[M+H]+,60.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524633,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,317.14958,[M+H]+,30.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524634,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,317.14958,[M+H]+,20.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524635,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,317.14958,[M+H]+,60.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524636,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,317.14958,[M+H]+,30.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524637,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,317.14958,[M+H]+,20.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524638,O=C(Cc1noc(-c2ccccc2)c1)N1CCOCC1CCO,339.13153,[M+Na]+,20.0,test,O=C(Cc1cc(-c2ccccc2)on1)N1CCOCC1CCO
524639,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1,317.14958,[M+H]+,20.0,test,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1
524640,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1,317.14958,[M+H]+,20.0,test,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1
524641,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1,317.14958,[M+H]+,30.0,test,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1
524642,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1,317.14958,[M+H]+,60.0,test,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1
524643,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1,317.14958,[M+H]+,15.0,test,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1
524644,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1,317.14958,[M+H]+,20.0,test,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1
524645,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1,317.14958,[M+H]+,60.0,test,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1
524646,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1,317.14958,[M+H]+,20.0,test,COc1ccccc1-c1cc(C(=O)N2CCOCCC2C)no1
524647,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,317.14958,[M+H]+,20.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524648,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,317.14958,[M+H]+,20.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524649,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,317.14958,[M+H]+,60.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524650,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,317.14958,[M+H]+,15.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524651,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,317.14958,[M+H]+,20.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524652,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,317.14958,[M+H]+,45.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524653,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,317.14958,[M+H]+,60.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524654,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,317.14958,[M+H]+,20.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524655,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,339.13153,[M+Na]+,20.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524656,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,339.13153,[M+Na]+,20.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524657,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,339.13153,[M+Na]+,60.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524658,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,339.13153,[M+Na]+,20.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524659,COc1cccc2c1N(C(=O)COCc1noc(C)c1)CCC2,339.13153,[M+Na]+,45.0,test,COc1cccc2c1N(C(=O)COCc1cc(C)on1)CCC2
524660,CCCc1nc(C(=O)N2CC(C)Oc3c2cc(OC)cc3)co1,317.14958,[M+H]+,20.0,test,CCCc1nc(C(=O)N2CC(C)Oc3ccc(OC)cc32)co1
524661,CCCc1nc(C(=O)N2CC(C)Oc3c2cc(OC)cc3)co1,317.14958,[M+H]+,20.0,test,CCCc1nc(C(=O)N2CC(C)Oc3ccc(OC)cc32)co1
524662,CCCc1nc(C(=O)N2CC(C)Oc3c2cc(OC)cc3)co1,317.14958,[M+H]+,60.0,test,CCCc1nc(C(=O)N2CC(C)Oc3ccc(OC)cc32)co1
524663,CCCc1nc(C(=O)N2CC(C)Oc3c2cc(OC)cc3)co1,317.14958,[M+H]+,30.0,test,CCCc1nc(C(=O)N2CC(C)Oc3ccc(OC)cc32)co1
524664,CCCc1nc(C(=O)N2CC(C)Oc3c2cc(OC)cc3)co1,317.14958,[M+H]+,20.0,test,CCCc1nc(C(=O)N2CC(C)Oc3ccc(OC)cc32)co1
524665,CCCc1nc(C(=O)N2CC(C)Oc3c2cc(OC)cc3)co1,317.14958,[M+H]+,60.0,test,CCCc1nc(C(=O)N2CC(C)Oc3ccc(OC)cc32)co1
524666,CCCc1nc(C(=O)N2CC(C)Oc3c2cc(OC)cc3)co1,317.14958,[M+H]+,30.0,test,CCCc1nc(C(=O)N2CC(C)Oc3ccc(OC)cc32)co1
524667,CCCc1nc(C(=O)N2CC(C)Oc3c2cc(OC)cc3)co1,317.14958,[M+H]+,20.0,test,CCCc1nc(C(=O)N2CC(C)Oc3ccc(OC)cc32)co1
524668,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,317.14958,[M+H]+,30.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524669,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,317.14958,[M+H]+,30.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524670,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,317.14958,[M+H]+,20.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524671,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,317.14958,[M+H]+,60.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524672,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1,317.14958,[M+H]+,30.0,test,O=C1CC(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
524673,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12,317.14958,[M+H]+,20.0,test,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12
524674,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12,317.14958,[M+H]+,20.0,test,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12
524675,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12,317.14958,[M+H]+,60.0,test,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12
524676,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12,317.14958,[M+H]+,15.0,test,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12
524677,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12,317.14958,[M+H]+,20.0,test,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12
524678,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12,317.14958,[M+H]+,60.0,test,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12
524679,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12,317.14958,[M+H]+,15.0,test,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12
524680,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12,317.14958,[M+H]+,20.0,test,COC(=O)COc1ccc(NC(=O)C(C)CN)c2ccccc12
524681,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524682,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524683,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,60.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524684,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,30.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524685,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524686,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524687,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524688,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,60.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524689,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,15.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524690,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524691,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,315.13503,[M-H]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524692,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,315.13503,[M-H]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524693,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,315.13503,[M-H]-,60.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524694,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,315.13503,[M-H]-,30.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524695,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,315.13503,[M-H]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524696,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,315.13503,[M-H]-,30.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524697,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,315.13503,[M-H]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524698,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,315.13503,[M-H]-,60.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524699,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,315.13503,[M-H]-,20.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524700,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,315.13503,[M-H]-,20.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524701,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,315.13503,[M-H]-,60.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524702,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,315.13503,[M-H]-,30.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524703,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,315.13503,[M-H]-,20.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524704,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,315.13503,[M-H]-,30.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524705,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,315.13503,[M-H]-,20.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524706,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,315.13503,[M-H]-,60.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524707,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,315.13503,[M-H]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524708,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,315.13503,[M-H]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524709,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,315.13503,[M-H]-,60.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524710,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,315.13503,[M-H]-,30.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524711,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,315.13503,[M-H]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524712,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,315.13503,[M-H]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524713,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,315.13503,[M-H]-,30.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524714,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,315.13503,[M-H]-,60.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524715,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,351.11171,[M+Cl]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524716,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,351.11171,[M+Cl]-,15.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524717,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,361.14051,[M+FA]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524718,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,361.14051,[M+FA]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524719,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,361.14051,[M+FA]-,60.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524720,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,361.14051,[M+FA]-,15.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524721,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,361.14051,[M+FA]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524722,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,361.14051,[M+FA]-,15.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524723,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,361.14051,[M+FA]-,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524724,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,361.14051,[M+FA]-,60.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524725,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,361.14051,[M+FA]-,20.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524726,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,361.14051,[M+FA]-,20.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524727,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,361.14051,[M+FA]-,60.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524728,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,361.14051,[M+FA]-,15.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524729,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,361.14051,[M+FA]-,20.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524730,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524731,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524732,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,60.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524733,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,30.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524734,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,315.13503,[M-H]-,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524735,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,315.13503,[M-H]-,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524736,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,315.13503,[M-H]-,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524737,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,315.13503,[M-H]-,60.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524738,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,315.13503,[M-H]-,30.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524739,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,315.13503,[M-H]-,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524740,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,361.14051,[M+FA]-,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524741,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,361.14051,[M+FA]-,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524742,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,361.14051,[M+FA]-,60.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524743,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,361.14051,[M+FA]-,15.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524744,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,361.14051,[M+FA]-,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524745,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,361.14051,[M+FA]-,20.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524746,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,361.14051,[M+FA]-,20.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524747,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,361.14051,[M+FA]-,60.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524748,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,361.14051,[M+FA]-,15.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524749,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,361.14051,[M+FA]-,20.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524750,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,315.13503,[M-H]-,20.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524751,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,315.13503,[M-H]-,20.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524752,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,315.13503,[M-H]-,60.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524753,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,315.13503,[M-H]-,15.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524754,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,315.13503,[M-H]-,20.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524755,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,315.13503,[M-H]-,15.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524756,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,315.13503,[M-H]-,20.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524757,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,315.13503,[M-H]-,60.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524758,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,315.13503,[M-H]-,20.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524759,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,315.13503,[M-H]-,20.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524760,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,315.13503,[M-H]-,60.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524761,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,315.13503,[M-H]-,30.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524762,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,315.13503,[M-H]-,20.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524763,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,317.14958,[M+H]+,20.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524764,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,317.14958,[M+H]+,20.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524765,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,317.14958,[M+H]+,60.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524766,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,317.14958,[M+H]+,15.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524767,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,317.14958,[M+H]+,20.0,test,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
524768,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C,317.14958,[M+H]+,20.0,test,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C
524769,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C,317.14958,[M+H]+,20.0,test,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C
524770,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C,317.14958,[M+H]+,60.0,test,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C
524771,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C,317.14958,[M+H]+,15.0,test,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C
524772,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C,317.14958,[M+H]+,20.0,test,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C
524773,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C,317.14958,[M+H]+,60.0,test,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C
524774,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C,317.14958,[M+H]+,20.0,test,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C
524775,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C,317.14958,[M+H]+,15.0,test,COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1C
524776,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,317.14958,[M+H]+,20.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524777,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,317.14958,[M+H]+,20.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524778,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,317.14958,[M+H]+,60.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524779,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,317.14958,[M+H]+,15.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524780,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,317.14958,[M+H]+,20.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524781,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,317.14958,[M+H]+,20.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524782,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,317.14958,[M+H]+,15.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524783,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1,317.14958,[M+H]+,60.0,test,COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1
524784,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,317.14958,[M+H]+,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524785,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,317.14958,[M+H]+,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524786,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,317.14958,[M+H]+,60.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524787,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,317.14958,[M+H]+,30.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524788,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,317.14958,[M+H]+,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524789,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,317.14958,[M+H]+,30.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524790,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,317.14958,[M+H]+,60.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524791,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1,317.14958,[M+H]+,20.0,test,CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1
524792,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,299.13902,[M+H-H2O]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524793,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,299.13902,[M+H-H2O]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524794,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,299.13902,[M+H-H2O]+,45.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524795,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,299.13902,[M+H-H2O]+,60.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524796,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,299.13902,[M+H-H2O]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524797,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,317.14958,[M+H]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524798,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,317.14958,[M+H]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524799,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,317.14958,[M+H]+,15.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524800,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,317.14958,[M+H]+,60.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524801,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,317.14958,[M+H]+,30.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524802,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,317.14958,[M+H]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524803,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,317.14958,[M+H]+,60.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524804,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1,317.14958,[M+H]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CC(C)=CCC2C(=O)O)cc1
524805,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524806,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524807,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,15.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524808,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,60.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524809,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524810,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,45.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524811,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,20.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524812,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,317.14958,[M+H]+,60.0,test,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
524813,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,317.14958,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524814,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,317.14958,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524815,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,317.14958,[M+H]+,60.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524816,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,317.14958,[M+H]+,30.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524817,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,317.14958,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524818,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,317.14958,[M+H]+,30.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524819,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,317.14958,[M+H]+,60.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524820,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,317.14958,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524821,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,339.13153,[M+Na]+,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524822,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,339.13153,[M+Na]+,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524823,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,339.13153,[M+Na]+,45.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524824,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,339.13153,[M+Na]+,60.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524825,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1,339.13153,[M+Na]+,20.0,test,Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1
524826,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,317.14958,[M+H]+,20.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524827,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,317.14958,[M+H]+,20.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524828,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,317.14958,[M+H]+,60.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524829,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,317.14958,[M+H]+,30.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524830,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,317.14958,[M+H]+,20.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524831,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,317.14958,[M+H]+,20.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524832,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,317.14958,[M+H]+,30.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524833,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C,317.14958,[M+H]+,60.0,test,COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C
524834,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,317.14958,[M+H]+,20.0,test,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
524835,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,317.14958,[M+H]+,20.0,test,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
524836,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,317.14958,[M+H]+,60.0,test,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
524837,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,317.14958,[M+H]+,15.0,test,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
524838,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,317.14958,[M+H]+,20.0,test,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
524839,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,317.14958,[M+H]+,45.0,test,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
524840,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,317.14958,[M+H]+,60.0,test,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
524841,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,317.14958,[M+H]+,20.0,test,CC1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
524842,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1,317.14958,[M+H]+,20.0,test,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
524843,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1,317.14958,[M+H]+,20.0,test,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
524844,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1,317.14958,[M+H]+,60.0,test,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
524845,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1,317.14958,[M+H]+,30.0,test,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
524846,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1,317.14958,[M+H]+,20.0,test,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
524847,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1,317.14958,[M+H]+,30.0,test,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
524848,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1,317.14958,[M+H]+,60.0,test,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
524849,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1,317.14958,[M+H]+,20.0,test,CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
524850,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,317.14958,[M+H]+,20.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524851,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,317.14958,[M+H]+,20.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524852,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,317.14958,[M+H]+,60.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524853,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,317.14958,[M+H]+,15.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524854,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1,317.14958,[M+H]+,20.0,test,COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
524855,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,317.14958,[M+H]+,20.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524856,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,317.14958,[M+H]+,20.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524857,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,317.14958,[M+H]+,60.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524858,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,317.14958,[M+H]+,30.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524859,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,317.14958,[M+H]+,20.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524860,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,317.14958,[M+H]+,60.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524861,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,317.14958,[M+H]+,30.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524862,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1,317.14958,[M+H]+,20.0,test,COc1ccc(OCC(=O)Nc2onc3c2CC(C)CC3)cc1
524863,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,343.12342,[M-H]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524864,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,343.12342,[M-H]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524865,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,343.12342,[M-H]-,60.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524866,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,343.12342,[M-H]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524867,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,343.12342,[M-H]-,45.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524868,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,379.1001,[M+Cl]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524869,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,379.1001,[M+Cl]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524870,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,379.1001,[M+Cl]-,60.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524871,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,379.1001,[M+Cl]-,15.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524872,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,379.1001,[M+Cl]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524873,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,389.1289,[M+FA]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524874,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,389.1289,[M+FA]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524875,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,389.1289,[M+FA]-,60.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524876,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,389.1289,[M+FA]-,15.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524877,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,389.1289,[M+FA]-,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524878,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,389.1289,[M+FA]-,20.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524879,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,389.1289,[M+FA]-,60.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524880,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,389.1289,[M+FA]-,15.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524881,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,389.1289,[M+FA]-,20.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524882,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cnccc2)n1,345.13797,[M+H]+,20.0,test,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cccnc2)n1
524883,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cnccc2)n1,345.13797,[M+H]+,20.0,test,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cccnc2)n1
524884,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cnccc2)n1,345.13797,[M+H]+,60.0,test,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cccnc2)n1
524885,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cnccc2)n1,345.13797,[M+H]+,15.0,test,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cccnc2)n1
524886,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cnccc2)n1,345.13797,[M+H]+,20.0,test,CNC(=O)C1CCCCN1C(=O)Cc1csc(-c2cccnc2)n1
524887,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,345.13797,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524888,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,345.13797,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524889,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,345.13797,[M+H]+,60.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524890,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,345.13797,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524891,CS(=O)(=O)C1CCN(c2nc(-c3cnccc3)nc3c2CCC3)C1,345.13797,[M+H]+,45.0,test,CS(=O)(=O)C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
524892,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,345.13797,[M+H]+,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524893,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,345.13797,[M+H]+,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524894,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,345.13797,[M+H]+,60.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524895,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,345.13797,[M+H]+,30.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524896,CSCCNC(=O)c1c2cnn(C(C)C)c2nc(-c2ccco2)c1,345.13797,[M+H]+,20.0,test,CSCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
524897,Cc1nnc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)cc1,345.13797,[M+H]+,20.0,test,Cc1ccc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)nn1
524898,Cc1nnc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)cc1,345.13797,[M+H]+,20.0,test,Cc1ccc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)nn1
524899,Cc1nnc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)cc1,345.13797,[M+H]+,60.0,test,Cc1ccc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)nn1
524900,Cc1nnc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)cc1,345.13797,[M+H]+,30.0,test,Cc1ccc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)nn1
524901,Cc1nnc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)cc1,345.13797,[M+H]+,20.0,test,Cc1ccc(C(=O)NC(C)C2CN(C(=O)c3ccc(C)s3)C2)nn1
524902,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,343.12342,[M-H]-,20.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524903,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,343.12342,[M-H]-,20.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524904,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,343.12342,[M-H]-,60.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524905,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,343.12342,[M-H]-,30.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524906,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,343.12342,[M-H]-,20.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524907,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,345.13797,[M+H]+,20.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524908,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,345.13797,[M+H]+,20.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524909,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,345.13797,[M+H]+,60.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524910,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,345.13797,[M+H]+,15.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524911,NC(=O)c1c(NC(=O)C2CCCCC2)sc(Nc2ccccc2)n1,345.13797,[M+H]+,20.0,test,NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
524912,O=C(c1c2CCCCc2no1)N1CC2CN(c3nccs3)CC2C1,345.13797,[M+H]+,20.0,test,O=C(c1onc2c1CCCC2)N1CC2CN(c3nccs3)CC2C1
524913,O=C(c1c2CCCCc2no1)N1CC2CN(c3nccs3)CC2C1,345.13797,[M+H]+,20.0,test,O=C(c1onc2c1CCCC2)N1CC2CN(c3nccs3)CC2C1
524914,O=C(c1c2CCCCc2no1)N1CC2CN(c3nccs3)CC2C1,345.13797,[M+H]+,60.0,test,O=C(c1onc2c1CCCC2)N1CC2CN(c3nccs3)CC2C1
524915,O=C(c1c2CCCCc2no1)N1CC2CN(c3nccs3)CC2C1,345.13797,[M+H]+,20.0,test,O=C(c1onc2c1CCCC2)N1CC2CN(c3nccs3)CC2C1
524916,O=C(c1c2CCCCc2no1)N1CC2CN(c3nccs3)CC2C1,345.13797,[M+H]+,45.0,test,O=C(c1onc2c1CCCC2)N1CC2CN(c3nccs3)CC2C1
524917,O=C(c1c2CCCCc2no1)N1CC2CN(c3nccs3)CC2C1,345.13797,[M+H]+,60.0,test,O=C(c1onc2c1CCCC2)N1CC2CN(c3nccs3)CC2C1
524918,O=C(c1c2CCCCc2no1)N1CC2CN(c3nccs3)CC2C1,345.13797,[M+H]+,20.0,test,O=C(c1onc2c1CCCC2)N1CC2CN(c3nccs3)CC2C1
524919,O=C(c1c2CCCCc2no1)N1CC2CN(c3nccs3)CC2C1,345.13797,[M+H]+,45.0,test,O=C(c1onc2c1CCCC2)N1CC2CN(c3nccs3)CC2C1
524920,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,343.12342,[M-H]-,20.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524921,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,343.12342,[M-H]-,20.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524922,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,343.12342,[M-H]-,60.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524923,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,343.12342,[M-H]-,30.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524924,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,343.12342,[M-H]-,20.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524925,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,343.12342,[M-H]-,20.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524926,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,343.12342,[M-H]-,20.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524927,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,343.12342,[M-H]-,15.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524928,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,343.12342,[M-H]-,60.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524929,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,343.12342,[M-H]-,30.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524930,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,343.12342,[M-H]-,20.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524931,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,343.12342,[M-H]-,20.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524932,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,343.12342,[M-H]-,60.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524933,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,343.12342,[M-H]-,20.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524934,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,343.12342,[M-H]-,20.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524935,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,343.12342,[M-H]-,45.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524936,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,343.12342,[M-H]-,60.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524937,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,343.12342,[M-H]-,20.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524938,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,343.12342,[M-H]-,20.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524939,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,343.12342,[M-H]-,20.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524940,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,343.12342,[M-H]-,60.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524941,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,343.12342,[M-H]-,30.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524942,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,343.12342,[M-H]-,20.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524943,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12,345.13797,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12
524944,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12,345.13797,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12
524945,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12,345.13797,[M+H]+,60.0,test,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12
524946,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12,345.13797,[M+H]+,15.0,test,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12
524947,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12,345.13797,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12
524948,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1,345.13797,[M+H]+,20.0,test,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1
524949,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1,345.13797,[M+H]+,20.0,test,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1
524950,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1,345.13797,[M+H]+,60.0,test,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1
524951,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1,345.13797,[M+H]+,15.0,test,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1
524952,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1,345.13797,[M+H]+,20.0,test,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1
524953,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1,345.13797,[M+H]+,20.0,test,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1
524954,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1,345.13797,[M+H]+,60.0,test,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1
524955,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1,345.13797,[M+H]+,15.0,test,CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(C)CC1
524956,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,345.13797,[M+H]+,20.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524957,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,345.13797,[M+H]+,20.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524958,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,345.13797,[M+H]+,60.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524959,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,345.13797,[M+H]+,15.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524960,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,345.13797,[M+H]+,20.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524961,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,345.13797,[M+H]+,60.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524962,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,345.13797,[M+H]+,15.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524963,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,345.13797,[M+H]+,20.0,test,Cc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1
524964,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O,345.13797,[M+H]+,20.0,test,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O
524965,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O,345.13797,[M+H]+,20.0,test,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O
524966,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O,345.13797,[M+H]+,60.0,test,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O
524967,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O,345.13797,[M+H]+,20.0,test,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O
524968,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O,345.13797,[M+H]+,60.0,test,CCC(C)NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O
524969,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,345.13797,[M+H]+,20.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524970,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,345.13797,[M+H]+,20.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524971,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,345.13797,[M+H]+,45.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524972,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,345.13797,[M+H]+,60.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524973,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,345.13797,[M+H]+,20.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524974,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,345.13797,[M+H]+,45.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524975,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,345.13797,[M+H]+,60.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524976,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1,345.13797,[M+H]+,20.0,test,Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
524977,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,345.13797,[M+H]+,20.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524978,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,345.13797,[M+H]+,20.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524979,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,345.13797,[M+H]+,60.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524980,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,345.13797,[M+H]+,30.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524981,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1,345.13797,[M+H]+,20.0,test,CC(C)Cc1nnc(NC(=O)COc2cccc3c2ccn3C)s1
524982,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21,345.13797,[M+H]+,20.0,test,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
524983,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21,345.13797,[M+H]+,20.0,test,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
524984,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21,345.13797,[M+H]+,60.0,test,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
524985,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21,345.13797,[M+H]+,30.0,test,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
524986,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21,345.13797,[M+H]+,20.0,test,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
524987,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21,345.13797,[M+H]+,60.0,test,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
524988,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21,345.13797,[M+H]+,30.0,test,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
524989,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21,345.13797,[M+H]+,20.0,test,Cc1cccnc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
524990,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,345.13797,[M+H]+,20.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524991,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,345.13797,[M+H]+,20.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524992,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,345.13797,[M+H]+,45.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524993,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,345.13797,[M+H]+,60.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524994,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,345.13797,[M+H]+,20.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524995,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,345.13797,[M+H]+,60.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524996,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,345.13797,[M+H]+,45.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524997,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C,345.13797,[M+H]+,20.0,test,CCOC(=O)C(CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C
524998,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
524999,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525000,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,60.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525001,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525002,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,45.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525003,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,60.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525004,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525005,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,45.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525006,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525007,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525008,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,60.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525009,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,30.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525010,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525011,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,45.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525012,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,60.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525013,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525014,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525015,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525016,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,60.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525017,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525018,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,45.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525019,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,60.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525020,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,20.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525021,Cc1cc2c(Nc3ccccc3N=C2N2CCN(C)CC2)s1,313.14814,[M+H]+,45.0,test,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
525022,Cc1c2nc(N3CCCCC3c3cn(C)nc3)sc2ccc1,313.14814,[M+H]+,20.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525023,Cc1c2nc(N3CCCCC3c3cn(C)nc3)sc2ccc1,313.14814,[M+H]+,20.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525024,Cc1c2nc(N3CCCCC3c3cn(C)nc3)sc2ccc1,313.14814,[M+H]+,60.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525025,Cc1c2nc(N3CCCCC3c3cn(C)nc3)sc2ccc1,313.14814,[M+H]+,30.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525026,Cc1c2nc(N3CCCCC3c3cn(C)nc3)sc2ccc1,313.14814,[M+H]+,20.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525027,Cc1c2nc(N3CCCCC3c3cn(C)nc3)sc2ccc1,313.14814,[M+H]+,60.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525028,Cc1c2nc(N3CCCCC3c3cn(C)nc3)sc2ccc1,313.14814,[M+H]+,30.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525029,Cc1c2nc(N3CCCCC3c3cn(C)nc3)sc2ccc1,313.14814,[M+H]+,20.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525030,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,311.13359,[M-H]-,20.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525031,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,311.13359,[M-H]-,20.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525032,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,311.13359,[M-H]-,45.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525033,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,311.13359,[M-H]-,60.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525034,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,311.13359,[M-H]-,20.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525035,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,311.13359,[M-H]-,20.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525036,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,311.13359,[M-H]-,45.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525037,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,311.13359,[M-H]-,60.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525038,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1,313.14814,[M+H]+,20.0,test,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1
525039,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1,313.14814,[M+H]+,20.0,test,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1
525040,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1,313.14814,[M+H]+,60.0,test,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1
525041,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1,313.14814,[M+H]+,20.0,test,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1
525042,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1,313.14814,[M+H]+,20.0,test,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1
525043,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1,313.14814,[M+H]+,60.0,test,Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn23)c1
525044,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12,313.14814,[M+H]+,20.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525045,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12,313.14814,[M+H]+,20.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525046,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12,313.14814,[M+H]+,60.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525047,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12,313.14814,[M+H]+,30.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525048,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12,313.14814,[M+H]+,20.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525049,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12,313.14814,[M+H]+,30.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525050,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12,313.14814,[M+H]+,60.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525051,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12,313.14814,[M+H]+,20.0,test,Cc1cccc2sc(N3CCCCC3c3cnn(C)c3)nc12
525052,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,313.14814,[M+H]+,20.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525053,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,313.14814,[M+H]+,20.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525054,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,313.14814,[M+H]+,45.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525055,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,313.14814,[M+H]+,60.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525056,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,313.14814,[M+H]+,20.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525057,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,313.14814,[M+H]+,45.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525058,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,313.14814,[M+H]+,60.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525059,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1,313.14814,[M+H]+,20.0,test,Cc1cccc(NC2=NC(=S)N(CC#N)C23CCCCC3)c1
525060,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,323.16258,[M-H]-,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525061,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,323.16258,[M-H]-,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525062,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,323.16258,[M-H]-,60.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525063,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,323.16258,[M-H]-,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525064,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,323.16258,[M-H]-,45.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525065,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,369.16806,[M+FA]-,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525066,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,369.16806,[M+FA]-,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525067,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,369.16806,[M+FA]-,60.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525068,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,369.16806,[M+FA]-,15.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525069,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,369.16806,[M+FA]-,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525070,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,323.16258,[M-H]-,20.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525071,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,323.16258,[M-H]-,20.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525072,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,323.16258,[M-H]-,60.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525073,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,323.16258,[M-H]-,30.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525074,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,323.16258,[M-H]-,20.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525075,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,323.16258,[M-H]-,20.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525076,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,323.16258,[M-H]-,20.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525077,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,323.16258,[M-H]-,60.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525078,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,323.16258,[M-H]-,20.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525079,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,323.16258,[M-H]-,45.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525080,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,323.16258,[M-H]-,20.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525081,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,323.16258,[M-H]-,20.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525082,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,323.16258,[M-H]-,60.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525083,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,323.16258,[M-H]-,30.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525084,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,323.16258,[M-H]-,20.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525085,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,325.17713,[M+H]+,20.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525086,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,325.17713,[M+H]+,20.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525087,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,325.17713,[M+H]+,60.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525088,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,325.17713,[M+H]+,20.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525089,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,325.17713,[M+H]+,45.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525090,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,325.17713,[M+H]+,60.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525091,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,325.17713,[M+H]+,20.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525092,CCc1cc(N2CCC(n3c(=O)[nH]c4c3nccc4)CC2)ncn1,325.17713,[M+H]+,45.0,test,CCc1cc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)ncn1
525093,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cn(C)nc1,325.17713,[M+H]+,20.0,test,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cnn(C)c1
525094,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cn(C)nc1,325.17713,[M+H]+,20.0,test,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cnn(C)c1
525095,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cn(C)nc1,325.17713,[M+H]+,30.0,test,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cnn(C)c1
525096,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cn(C)nc1,325.17713,[M+H]+,60.0,test,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cnn(C)c1
525097,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cn(C)nc1,325.17713,[M+H]+,15.0,test,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cnn(C)c1
525098,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cn(C)nc1,325.17713,[M+H]+,20.0,test,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cnn(C)c1
525099,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cn(C)nc1,325.17713,[M+H]+,60.0,test,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cnn(C)c1
525100,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cn(C)nc1,325.17713,[M+H]+,20.0,test,Cc1c(C(=O)N2C[C@@H]3C4C=CC(C4)[C@@H]3C2)nnn1-c1cnn(C)c1
525101,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,325.17713,[M+H]+,20.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525102,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,325.17713,[M+H]+,20.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525103,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,325.17713,[M+H]+,60.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525104,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,325.17713,[M+H]+,20.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525105,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,325.17713,[M+H]+,45.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525106,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,325.17713,[M+H]+,60.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525107,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,325.17713,[M+H]+,20.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525108,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1,325.17713,[M+H]+,45.0,test,Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)n[nH]3)O2)c(C#N)cn1
525109,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,325.17713,[M+H]+,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525110,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,325.17713,[M+H]+,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525111,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,325.17713,[M+H]+,60.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525112,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,325.17713,[M+H]+,30.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525113,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,325.17713,[M+H]+,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525114,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,325.17713,[M+H]+,60.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525115,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,325.17713,[M+H]+,30.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525116,Cc1cc(NC(=O)N2CCCC(c3c[nH]nc3)C2)cn2ccnc12,325.17713,[M+H]+,20.0,test,Cc1cc(NC(=O)N2CCCC(c3cn[nH]c3)C2)cn2ccnc12
525117,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,325.17713,[M+H]+,20.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525118,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,325.17713,[M+H]+,20.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525119,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,325.17713,[M+H]+,60.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525120,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,325.17713,[M+H]+,30.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525121,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,325.17713,[M+H]+,20.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525122,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,325.17713,[M+H]+,60.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525123,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,325.17713,[M+H]+,30.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525124,Cc1nn(C)c(C(=O)NCCc2nnc(-c3ccccc3)n2C)c1,325.17713,[M+H]+,20.0,test,Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)n(C)n1
525125,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,323.16258,[M-H]-,20.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525126,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,323.16258,[M-H]-,20.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525127,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,323.16258,[M-H]-,60.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525128,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,323.16258,[M-H]-,20.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525129,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,323.16258,[M-H]-,45.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525130,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,323.16258,[M-H]-,60.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525131,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,323.16258,[M-H]-,45.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525132,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,325.17713,[M+H]+,20.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525133,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,325.17713,[M+H]+,20.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525134,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,325.17713,[M+H]+,60.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525135,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,325.17713,[M+H]+,20.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525136,CC(C)c1c(-c2cn(C(C)(C)C)nc2)nc2c(C#N)c[nH]n2c1=O,325.17713,[M+H]+,45.0,test,CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[nH]n2c1=O
525137,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1,325.17713,[M+H]+,20.0,test,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1
525138,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1,325.17713,[M+H]+,20.0,test,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1
525139,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1,325.17713,[M+H]+,60.0,test,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1
525140,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1,325.17713,[M+H]+,30.0,test,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1
525141,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1,325.17713,[M+H]+,20.0,test,c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1
525142,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1,325.17713,[M+H]+,30.0,test,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1
525143,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1,325.17713,[M+H]+,30.0,test,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1
525144,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1,325.17713,[M+H]+,60.0,test,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1
525145,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1,325.17713,[M+H]+,20.0,test,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1
525146,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1,325.17713,[M+H]+,30.0,test,Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1
525147,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1,325.17713,[M+H]+,20.0,test,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1
525148,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1,325.17713,[M+H]+,20.0,test,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1
525149,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1,325.17713,[M+H]+,60.0,test,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1
525150,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1,325.17713,[M+H]+,30.0,test,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1
525151,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1,325.17713,[M+H]+,20.0,test,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1
525152,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1,325.17713,[M+H]+,30.0,test,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1
525153,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1,325.17713,[M+H]+,60.0,test,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1
525154,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1,325.17713,[M+H]+,20.0,test,Cc1cc(N2CCCC(COc3ncccn3)C2)n2nccc2n1
525155,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21,325.17713,[M+H]+,20.0,test,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
525156,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21,325.17713,[M+H]+,20.0,test,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
525157,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21,325.17713,[M+H]+,30.0,test,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
525158,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21,325.17713,[M+H]+,60.0,test,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
525159,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21,325.17713,[M+H]+,20.0,test,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
525160,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21,325.17713,[M+H]+,45.0,test,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
525161,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21,325.17713,[M+H]+,20.0,test,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
525162,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21,325.17713,[M+H]+,60.0,test,Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
525163,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1,325.17713,[M+H]+,20.0,test,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1
525164,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1,325.17713,[M+H]+,20.0,test,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1
525165,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1,325.17713,[M+H]+,30.0,test,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1
525166,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1,325.17713,[M+H]+,60.0,test,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1
525167,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1,325.17713,[M+H]+,15.0,test,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1
525168,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1,325.17713,[M+H]+,20.0,test,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1
525169,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1,325.17713,[M+H]+,20.0,test,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1
525170,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1,325.17713,[M+H]+,60.0,test,COCc1cn(C2CC3CCC(C2)N3c2ncccc2C#N)nn1
525171,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1,325.17713,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1
525172,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1,325.17713,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1
525173,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1,325.17713,[M+H]+,45.0,test,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1
525174,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1,325.17713,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1
525175,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1,325.17713,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1
525176,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1,325.17713,[M+H]+,20.0,test,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1
525177,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1,325.17713,[M+H]+,20.0,test,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1
525178,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1,325.17713,[M+H]+,45.0,test,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1
525179,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1,325.17713,[M+H]+,60.0,test,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1
525180,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1,325.17713,[M+H]+,20.0,test,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1
525181,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1,325.17713,[M+H]+,60.0,test,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1
525182,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1,325.17713,[M+H]+,45.0,test,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1
525183,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1,325.17713,[M+H]+,20.0,test,O=C(c1cc(C2CC2)[nH]n1)N1CC2CN(c3ncccn3)CC2C1
525184,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,355.13465,[M-H]-,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525185,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,355.13465,[M-H]-,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525186,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,355.13465,[M-H]-,60.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525187,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,355.13465,[M-H]-,15.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525188,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,355.13465,[M-H]-,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525189,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,401.14013,[M+FA]-,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525190,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,401.14013,[M+FA]-,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525191,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,401.14013,[M+FA]-,60.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525192,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,401.14013,[M+FA]-,15.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525193,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,401.14013,[M+FA]-,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525194,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,357.14921,[M+H]+,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525195,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,357.14921,[M+H]+,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525196,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,357.14921,[M+H]+,60.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525197,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,357.14921,[M+H]+,15.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525198,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,357.14921,[M+H]+,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525199,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,357.14921,[M+H]+,60.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525200,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,357.14921,[M+H]+,15.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525201,Cc1csc(C(C)NC(=O)N2CCN(c3ncc(C#N)cc3)CC2)n1,357.14921,[M+H]+,20.0,test,Cc1csc(C(C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
525202,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21,357.14921,[M+H]+,20.0,test,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21
525203,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21,357.14921,[M+H]+,20.0,test,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21
525204,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21,357.14921,[M+H]+,30.0,test,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21
525205,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21,357.14921,[M+H]+,60.0,test,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21
525206,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21,357.14921,[M+H]+,15.0,test,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21
525207,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21,357.14921,[M+H]+,20.0,test,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21
525208,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21,357.14921,[M+H]+,60.0,test,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21
525209,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21,357.14921,[M+H]+,20.0,test,Cn1ncc2c(N3CCCCC3)nc(C(=O)NCc3cccs3)nc21
525210,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cc(Br)ccc1,377.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cccc(Br)c1
525211,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cc(Br)ccc1,377.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cccc(Br)c1
525212,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cc(Br)ccc1,377.09715,[M+H]+,60.0,test,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cccc(Br)c1
525213,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cc(Br)ccc1,377.09715,[M+H]+,30.0,test,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cccc(Br)c1
525214,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cc(Br)ccc1,377.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1NC(=O)CN1CCCC1c1cccc(Br)c1
525215,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1,377.09715,[M+H]+,20.0,test,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1
525216,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1,377.09715,[M+H]+,20.0,test,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1
525217,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1,377.09715,[M+H]+,60.0,test,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1
525218,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1,377.09715,[M+H]+,30.0,test,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1
525219,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1,377.09715,[M+H]+,20.0,test,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1
525220,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1,377.09715,[M+H]+,60.0,test,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1
525221,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1,377.09715,[M+H]+,30.0,test,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1
525222,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1,377.09715,[M+H]+,20.0,test,CCn1cc(NC(=O)C(c2ccc(Br)cc2)N2CCCC2)cn1
525223,CN1C[C@H](Nc2c(Br)c(=O)n(C)nc2)C[C@H](c2ccccc2)C1,377.09715,[M+H]+,20.0,test,CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1
525224,CN1C[C@H](Nc2c(Br)c(=O)n(C)nc2)C[C@H](c2ccccc2)C1,377.09715,[M+H]+,20.0,test,CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1
525225,CN1C[C@H](Nc2c(Br)c(=O)n(C)nc2)C[C@H](c2ccccc2)C1,377.09715,[M+H]+,60.0,test,CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1
525226,CN1C[C@H](Nc2c(Br)c(=O)n(C)nc2)C[C@H](c2ccccc2)C1,377.09715,[M+H]+,20.0,test,CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1
525227,CN1C[C@H](Nc2c(Br)c(=O)n(C)nc2)C[C@H](c2ccccc2)C1,377.09715,[M+H]+,45.0,test,CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1
525228,CN1C[C@@H](Nc2c(Br)c(=O)n(C)nc2)C[C@@H](c2ccccc2)C1,377.09715,[M+H]+,20.0,test,CN1C[C@@H](Nc2cnn(C)c(=O)c2Br)C[C@@H](c2ccccc2)C1
525229,CN1C[C@@H](Nc2c(Br)c(=O)n(C)nc2)C[C@@H](c2ccccc2)C1,377.09715,[M+H]+,20.0,test,CN1C[C@@H](Nc2cnn(C)c(=O)c2Br)C[C@@H](c2ccccc2)C1
525230,CN1C[C@@H](Nc2c(Br)c(=O)n(C)nc2)C[C@@H](c2ccccc2)C1,377.09715,[M+H]+,60.0,test,CN1C[C@@H](Nc2cnn(C)c(=O)c2Br)C[C@@H](c2ccccc2)C1
525231,CN1C[C@@H](Nc2c(Br)c(=O)n(C)nc2)C[C@@H](c2ccccc2)C1,377.09715,[M+H]+,20.0,test,CN1C[C@@H](Nc2cnn(C)c(=O)c2Br)C[C@@H](c2ccccc2)C1
525232,CN1C[C@@H](Nc2c(Br)c(=O)n(C)nc2)C[C@@H](c2ccccc2)C1,377.09715,[M+H]+,45.0,test,CN1C[C@@H](Nc2cnn(C)c(=O)c2Br)C[C@@H](c2ccccc2)C1
525233,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1,377.09715,[M+H]+,20.0,test,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1
525234,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1,377.09715,[M+H]+,20.0,test,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1
525235,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1,377.09715,[M+H]+,60.0,test,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1
525236,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1,377.09715,[M+H]+,30.0,test,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1
525237,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1,377.09715,[M+H]+,20.0,test,CCCN1CCn2cc(C(=O)NCc3ccc(Br)cc3)nc2C1
525238,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,335.09904,[M-H]-,20.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525239,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,335.09904,[M-H]-,20.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525240,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,335.09904,[M-H]-,45.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525241,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,335.09904,[M-H]-,60.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525242,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,335.09904,[M-H]-,20.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525243,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,337.11359,[M+H]+,20.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525244,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,337.11359,[M+H]+,20.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525245,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,337.11359,[M+H]+,60.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525246,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,337.11359,[M+H]+,30.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525247,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O,337.11359,[M+H]+,20.0,test,CCCCCc1c(C)[nH]c(SCc2ccccc2Cl)nc1=O
525248,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21,337.11359,[M+H]+,20.0,test,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21
525249,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21,337.11359,[M+H]+,20.0,test,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21
525250,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21,337.11359,[M+H]+,60.0,test,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21
525251,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21,337.11359,[M+H]+,30.0,test,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21
525252,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21,337.11359,[M+H]+,20.0,test,CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21
525253,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,393.13351,[M+FA]-,20.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525254,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,393.13351,[M+FA]-,20.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525255,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,393.13351,[M+FA]-,60.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525256,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,393.13351,[M+FA]-,15.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525257,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,393.13351,[M+FA]-,20.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525258,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,393.13351,[M+FA]-,15.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525259,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,393.13351,[M+FA]-,15.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525260,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,393.13351,[M+FA]-,20.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525261,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,393.13351,[M+FA]-,60.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525262,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,393.13351,[M+FA]-,15.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525263,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,347.12803,[M-H]-,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525264,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,347.12803,[M-H]-,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525265,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,347.12803,[M-H]-,60.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525266,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,347.12803,[M-H]-,15.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525267,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,347.12803,[M-H]-,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525268,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,383.10471,[M+Cl]-,15.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525269,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,393.13351,[M+FA]-,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525270,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,393.13351,[M+FA]-,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525271,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,393.13351,[M+FA]-,60.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525272,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,393.13351,[M+FA]-,15.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525273,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,393.13351,[M+FA]-,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525274,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,349.14258,[M+H]+,20.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525275,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,349.14258,[M+H]+,20.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525276,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,349.14258,[M+H]+,60.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525277,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,349.14258,[M+H]+,20.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525278,CCOc1c(CC(=O)NC2CCc3c(C2)n(C)nn3)cccc1Cl,349.14258,[M+H]+,45.0,test,CCOc1c(Cl)cccc1CC(=O)NC1CCc2nnn(C)c2C1
525279,COCc1nc(N2CCN(c3cc(Cl)ccc3)CC2)cc(OC)n1,349.14258,[M+H]+,20.0,test,COCc1nc(OC)cc(N2CCN(c3cccc(Cl)c3)CC2)n1
525280,COCc1nc(N2CCN(c3cc(Cl)ccc3)CC2)cc(OC)n1,349.14258,[M+H]+,20.0,test,COCc1nc(OC)cc(N2CCN(c3cccc(Cl)c3)CC2)n1
525281,COCc1nc(N2CCN(c3cc(Cl)ccc3)CC2)cc(OC)n1,349.14258,[M+H]+,60.0,test,COCc1nc(OC)cc(N2CCN(c3cccc(Cl)c3)CC2)n1
525282,COCc1nc(N2CCN(c3cc(Cl)ccc3)CC2)cc(OC)n1,349.14258,[M+H]+,20.0,test,COCc1nc(OC)cc(N2CCN(c3cccc(Cl)c3)CC2)n1
525283,COCc1nc(N2CCN(c3cc(Cl)ccc3)CC2)cc(OC)n1,349.14258,[M+H]+,45.0,test,COCc1nc(OC)cc(N2CCN(c3cccc(Cl)c3)CC2)n1
525284,COCc1nc(N2CCN(c3cc(Cl)ccc3)CC2)cc(OC)n1,349.14258,[M+H]+,60.0,test,COCc1nc(OC)cc(N2CCN(c3cccc(Cl)c3)CC2)n1
525285,COCc1nc(N2CCN(c3cc(Cl)ccc3)CC2)cc(OC)n1,349.14258,[M+H]+,20.0,test,COCc1nc(OC)cc(N2CCN(c3cccc(Cl)c3)CC2)n1
525286,COCc1nc(N2CCN(c3cc(Cl)ccc3)CC2)cc(OC)n1,349.14258,[M+H]+,45.0,test,COCc1nc(OC)cc(N2CCN(c3cccc(Cl)c3)CC2)n1
525287,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,349.14258,[M+H]+,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525288,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,349.14258,[M+H]+,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525289,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,349.14258,[M+H]+,60.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525290,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,349.14258,[M+H]+,20.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525291,COc1c(Cl)ccc(-c2cn(CC(=O)NC3CCCCC3)nn2)c1,349.14258,[M+H]+,45.0,test,COc1cc(-c2cn(CC(=O)NC3CCCCC3)nn2)ccc1Cl
525292,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cc(Cl)ccc1,349.14258,[M+H]+,20.0,test,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cccc(Cl)c1
525293,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cc(Cl)ccc1,349.14258,[M+H]+,20.0,test,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cccc(Cl)c1
525294,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cc(Cl)ccc1,349.14258,[M+H]+,60.0,test,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cccc(Cl)c1
525295,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cc(Cl)ccc1,349.14258,[M+H]+,30.0,test,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cccc(Cl)c1
525296,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cc(Cl)ccc1,349.14258,[M+H]+,20.0,test,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cccc(Cl)c1
525297,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cc(Cl)ccc1,349.14258,[M+H]+,60.0,test,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cccc(Cl)c1
525298,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cc(Cl)ccc1,349.14258,[M+H]+,20.0,test,Cc1cc(NC(=O)N2CCOCC(C)C2)nn1-c1cccc(Cl)c1
525299,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1,349.14258,[M+H]+,20.0,test,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1
525300,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1,349.14258,[M+H]+,20.0,test,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1
525301,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1,349.14258,[M+H]+,60.0,test,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1
525302,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1,349.14258,[M+H]+,30.0,test,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1
525303,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1,349.14258,[M+H]+,20.0,test,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1
525304,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1,349.14258,[M+H]+,60.0,test,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1
525305,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1,349.14258,[M+H]+,30.0,test,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1
525306,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1,349.14258,[M+H]+,20.0,test,CC(=O)N(C)CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1
525307,CCCOc1c(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)cc1,349.14258,[M+H]+,20.0,test,CCCOc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1
525308,CCCOc1c(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)cc1,349.14258,[M+H]+,20.0,test,CCCOc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1
525309,CCCOc1c(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)cc1,349.14258,[M+H]+,60.0,test,CCCOc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1
525310,CCCOc1c(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)cc1,349.14258,[M+H]+,30.0,test,CCCOc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1
525311,CCCOc1c(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)cc1,349.14258,[M+H]+,20.0,test,CCCOc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1
525312,CCCOc1c(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)cc1,349.14258,[M+H]+,60.0,test,CCCOc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1
525313,CCCOc1c(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)cc1,349.14258,[M+H]+,30.0,test,CCCOc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1
525314,CCCOc1c(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)cc1,349.14258,[M+H]+,20.0,test,CCCOc1ccc(Cl)cc1C(=O)N1CC(n2nc(C)nc2C)C1
525315,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,349.14258,[M+H]+,20.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525316,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,349.14258,[M+H]+,20.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525317,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,349.14258,[M+H]+,60.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525318,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,349.14258,[M+H]+,30.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525319,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,349.14258,[M+H]+,20.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525320,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,349.14258,[M+H]+,60.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525321,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,349.14258,[M+H]+,30.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525322,Cc1c(CNC(=O)c2cc(Cl)c(OC3CCCCC3)nc2)cn[nH]1,349.14258,[M+H]+,20.0,test,Cc1[nH]ncc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1
525323,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,347.12803,[M-H]-,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525324,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,347.12803,[M-H]-,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525325,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,347.12803,[M-H]-,60.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525326,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,347.12803,[M-H]-,15.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525327,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,347.12803,[M-H]-,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525328,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,383.10471,[M+Cl]-,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525329,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,383.10471,[M+Cl]-,15.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525330,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,393.13351,[M+FA]-,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525331,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,393.13351,[M+FA]-,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525332,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,393.13351,[M+FA]-,60.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525333,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,393.13351,[M+FA]-,15.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525334,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,393.13351,[M+FA]-,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525335,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,393.13351,[M+FA]-,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525336,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,393.13351,[M+FA]-,15.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525337,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,393.13351,[M+FA]-,60.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525338,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,349.14258,[M+H]+,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525339,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,349.14258,[M+H]+,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525340,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,349.14258,[M+H]+,60.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525341,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,349.14258,[M+H]+,30.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525342,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,349.14258,[M+H]+,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525343,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,349.14258,[M+H]+,30.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525344,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,349.14258,[M+H]+,60.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525345,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1,349.14258,[M+H]+,20.0,test,Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1
525346,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,349.14258,[M+H]+,20.0,test,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
525347,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,349.14258,[M+H]+,20.0,test,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
525348,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,349.14258,[M+H]+,60.0,test,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
525349,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,349.14258,[M+H]+,30.0,test,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
525350,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,349.14258,[M+H]+,20.0,test,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
525351,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,349.14258,[M+H]+,45.0,test,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
525352,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,349.14258,[M+H]+,60.0,test,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
525353,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,349.14258,[M+H]+,20.0,test,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
525354,O=C(NS(=O)(=O)c1cc2c(cc1)CCCC2)C(F)(F)C1CCOCC1,372.10866,[M-H]-,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)C(F)(F)C1CCOCC1
525355,O=C(NS(=O)(=O)c1cc2c(cc1)CCCC2)C(F)(F)C1CCOCC1,372.10866,[M-H]-,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)C(F)(F)C1CCOCC1
525356,O=C(NS(=O)(=O)c1cc2c(cc1)CCCC2)C(F)(F)C1CCOCC1,372.10866,[M-H]-,60.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)C(F)(F)C1CCOCC1
525357,O=C(NS(=O)(=O)c1cc2c(cc1)CCCC2)C(F)(F)C1CCOCC1,372.10866,[M-H]-,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)C(F)(F)C1CCOCC1
525358,O=C(NS(=O)(=O)c1cc2c(cc1)CCCC2)C(F)(F)C1CCOCC1,372.10866,[M-H]-,60.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)C(F)(F)C1CCOCC1
525359,O=C(NS(=O)(=O)c1cc2c(cc1)CCCC2)C(F)(F)C1CCOCC1,372.10866,[M-H]-,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)C(F)(F)C1CCOCC1
525360,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,325.15223,[M+H-H2O]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525361,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,325.15223,[M+H-H2O]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525362,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,325.15223,[M+H-H2O]+,60.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525363,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,325.15223,[M+H-H2O]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525364,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,325.15223,[M+H-H2O]+,45.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525365,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,343.16279,[M+H]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525366,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,343.16279,[M+H]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525367,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,343.16279,[M+H]+,60.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525368,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,343.16279,[M+H]+,30.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525369,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,343.16279,[M+H]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525370,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,343.16279,[M+H]+,60.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525371,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,343.16279,[M+H]+,30.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525372,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,343.16279,[M+H]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525373,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,365.14473,[M+Na]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525374,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,365.14473,[M+Na]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525375,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,365.14473,[M+Na]+,60.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525376,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,365.14473,[M+Na]+,20.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525377,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1,365.14473,[M+Na]+,45.0,test,CC1(O)CCCN(C2CCN(c3ccccc3C(F)(F)F)C2=O)C1
525378,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,419.14354,[M+FA]-,15.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525379,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,419.14354,[M+FA]-,20.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525380,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,419.14354,[M+FA]-,60.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525381,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,419.14354,[M+FA]-,15.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525382,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,375.15262,[M+H]+,20.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525383,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,375.15262,[M+H]+,20.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525384,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,375.15262,[M+H]+,60.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525385,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,375.15262,[M+H]+,15.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525386,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1,375.15262,[M+H]+,20.0,test,CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1
525387,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,409.11474,[M+Cl]-,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525388,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,409.11474,[M+Cl]-,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525389,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,419.14354,[M+FA]-,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525390,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,419.14354,[M+FA]-,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525391,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,419.14354,[M+FA]-,60.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525392,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,419.14354,[M+FA]-,15.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525393,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,419.14354,[M+FA]-,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525394,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,419.14354,[M+FA]-,60.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525395,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,419.14354,[M+FA]-,15.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525396,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,419.14354,[M+FA]-,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525397,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,375.15262,[M+H]+,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525398,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,375.15262,[M+H]+,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525399,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,375.15262,[M+H]+,60.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525400,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,375.15262,[M+H]+,15.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525401,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1,375.15262,[M+H]+,20.0,test,COC(=O)C(C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1
525402,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1,375.15262,[M+H]+,20.0,test,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
525403,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1,375.15262,[M+H]+,20.0,test,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
525404,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1,375.15262,[M+H]+,60.0,test,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
525405,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1,375.15262,[M+H]+,30.0,test,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
525406,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1,375.15262,[M+H]+,20.0,test,CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
525407,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,319.12749,[M+H-H2O]+,20.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525408,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,319.12749,[M+H-H2O]+,20.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525409,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,319.12749,[M+H-H2O]+,60.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525410,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,319.12749,[M+H-H2O]+,15.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525411,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,319.12749,[M+H-H2O]+,20.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525412,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,337.13805,[M+H]+,20.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525413,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,337.13805,[M+H]+,20.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525414,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,337.13805,[M+H]+,30.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525415,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,337.13805,[M+H]+,60.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525416,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,337.13805,[M+H]+,15.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525417,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,337.13805,[M+H]+,20.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525418,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,337.13805,[M+H]+,60.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525419,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1,337.13805,[M+H]+,20.0,test,CC(O)(CNCc1cnc(C2CCCO2)s1)c1ccc(F)cc1
525420,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,393.15797,[M+FA]-,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525421,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,393.15797,[M+FA]-,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525422,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,393.15797,[M+FA]-,60.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525423,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,393.15797,[M+FA]-,15.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525424,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,393.15797,[M+FA]-,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525425,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,393.15797,[M+FA]-,60.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525426,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,393.15797,[M+FA]-,15.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525427,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,393.15797,[M+FA]-,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525428,Cc1nc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)ccc1,349.16704,[M+H]+,20.0,test,Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1
525429,Cc1nc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)ccc1,349.16704,[M+H]+,20.0,test,Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1
525430,Cc1nc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)ccc1,349.16704,[M+H]+,60.0,test,Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1
525431,Cc1nc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)ccc1,349.16704,[M+H]+,30.0,test,Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1
525432,Cc1nc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)ccc1,349.16704,[M+H]+,20.0,test,Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1
525433,Cc1nc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)ccc1,349.16704,[M+H]+,60.0,test,Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1
525434,Cc1nc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)ccc1,349.16704,[M+H]+,30.0,test,Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1
525435,Cc1nc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)ccc1,349.16704,[M+H]+,20.0,test,Cc1cccc(-c2noc(CC3CCN(C(=O)OCCF)CC3)n2)n1
525436,COc1c(C(=O)Nc2cn(CCN3CCOCC3)nc2)cc(F)cc1,349.16704,[M+H]+,20.0,test,COc1ccc(F)cc1C(=O)Nc1cnn(CCN2CCOCC2)c1
525437,COc1c(C(=O)Nc2cn(CCN3CCOCC3)nc2)cc(F)cc1,349.16704,[M+H]+,20.0,test,COc1ccc(F)cc1C(=O)Nc1cnn(CCN2CCOCC2)c1
525438,COc1c(C(=O)Nc2cn(CCN3CCOCC3)nc2)cc(F)cc1,349.16704,[M+H]+,60.0,test,COc1ccc(F)cc1C(=O)Nc1cnn(CCN2CCOCC2)c1
525439,COc1c(C(=O)Nc2cn(CCN3CCOCC3)nc2)cc(F)cc1,349.16704,[M+H]+,30.0,test,COc1ccc(F)cc1C(=O)Nc1cnn(CCN2CCOCC2)c1
525440,COc1c(C(=O)Nc2cn(CCN3CCOCC3)nc2)cc(F)cc1,349.16704,[M+H]+,20.0,test,COc1ccc(F)cc1C(=O)Nc1cnn(CCN2CCOCC2)c1
525441,COc1c(C(=O)Nc2cn(CCN3CCOCC3)nc2)cc(F)cc1,349.16704,[M+H]+,60.0,test,COc1ccc(F)cc1C(=O)Nc1cnn(CCN2CCOCC2)c1
525442,COc1c(C(=O)Nc2cn(CCN3CCOCC3)nc2)cc(F)cc1,349.16704,[M+H]+,30.0,test,COc1ccc(F)cc1C(=O)Nc1cnn(CCN2CCOCC2)c1
525443,COc1c(C(=O)Nc2cn(CCN3CCOCC3)nc2)cc(F)cc1,349.16704,[M+H]+,20.0,test,COc1ccc(F)cc1C(=O)Nc1cnn(CCN2CCOCC2)c1
525444,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,331.15648,[M+H-H2O]+,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525445,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,331.15648,[M+H-H2O]+,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525446,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,331.15648,[M+H-H2O]+,60.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525447,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,331.15648,[M+H-H2O]+,30.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525448,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,331.15648,[M+H-H2O]+,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525449,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,349.16704,[M+H]+,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525450,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,349.16704,[M+H]+,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525451,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,349.16704,[M+H]+,60.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525452,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,349.16704,[M+H]+,30.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525453,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,349.16704,[M+H]+,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525454,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,349.16704,[M+H]+,45.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525455,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,349.16704,[M+H]+,60.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525456,Cn1cc(C2CN(C(=O)NCc3cc(F)c(CO)cc3)CCO2)cn1,349.16704,[M+H]+,20.0,test,Cn1cc(C2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
525457,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,383.12917,[M+Cl]-,20.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525458,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,383.12917,[M+Cl]-,15.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525459,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,383.12917,[M+Cl]-,60.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525460,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,383.12917,[M+Cl]-,20.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525461,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,393.15797,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525462,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,393.15797,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525463,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,393.15797,[M+FA]-,60.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525464,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,393.15797,[M+FA]-,15.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525465,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,393.15797,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525466,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,393.15797,[M+FA]-,15.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525467,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,393.15797,[M+FA]-,60.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525468,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1,393.15797,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
525469,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1,349.16704,[M+H]+,20.0,test,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1
525470,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1,349.16704,[M+H]+,20.0,test,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1
525471,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1,349.16704,[M+H]+,60.0,test,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1
525472,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1,349.16704,[M+H]+,15.0,test,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1
525473,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1,349.16704,[M+H]+,20.0,test,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(F)cn2)CC1
525474,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,330.12817,[M-H]-,20.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525475,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,330.12817,[M-H]-,20.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525476,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,330.12817,[M-H]-,60.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525477,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,330.12817,[M-H]-,20.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525478,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,330.12817,[M-H]-,45.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525479,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,332.14272,[M+H]+,20.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525480,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,332.14272,[M+H]+,20.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525481,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,332.14272,[M+H]+,60.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525482,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,332.14272,[M+H]+,20.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525483,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,332.14272,[M+H]+,45.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525484,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,332.14272,[M+H]+,60.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525485,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,332.14272,[M+H]+,20.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525486,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1,332.14272,[M+H]+,45.0,test,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
525487,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525488,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525489,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525490,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525491,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525492,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525493,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,60.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525494,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,30.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525495,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525496,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,60.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525497,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,30.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525498,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525499,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1,332.14272,[M+H]+,20.0,test,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1
525500,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1,332.14272,[M+H]+,20.0,test,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1
525501,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1,332.14272,[M+H]+,30.0,test,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1
525502,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1,332.14272,[M+H]+,60.0,test,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1
525503,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1,332.14272,[M+H]+,15.0,test,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1
525504,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1,332.14272,[M+H]+,20.0,test,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1
525505,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1,332.14272,[M+H]+,60.0,test,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1
525506,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1,332.14272,[M+H]+,20.0,test,CCc1nnc(C2CCN(C(=O)c3ccccc3OC)CC2)s1
525507,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O,332.14272,[M+H]+,20.0,test,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O
525508,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O,332.14272,[M+H]+,20.0,test,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O
525509,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O,332.14272,[M+H]+,60.0,test,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O
525510,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O,332.14272,[M+H]+,15.0,test,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O
525511,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O,332.14272,[M+H]+,20.0,test,CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O
525512,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1,332.14272,[M+H]+,20.0,test,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1
525513,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1,332.14272,[M+H]+,20.0,test,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1
525514,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1,332.14272,[M+H]+,60.0,test,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1
525515,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1,332.14272,[M+H]+,15.0,test,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1
525516,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1,332.14272,[M+H]+,20.0,test,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1
525517,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1,332.14272,[M+H]+,60.0,test,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1
525518,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1,332.14272,[M+H]+,20.0,test,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1
525519,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1,332.14272,[M+H]+,15.0,test,Cc1cc(C)nc(OC2CCCN(C(=O)Cc3ccsc3)C2)n1
525520,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C,332.14272,[M+H]+,20.0,test,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C
525521,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C,332.14272,[M+H]+,20.0,test,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C
525522,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C,332.14272,[M+H]+,60.0,test,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C
525523,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C,332.14272,[M+H]+,30.0,test,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C
525524,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C,332.14272,[M+H]+,20.0,test,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C
525525,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C,332.14272,[M+H]+,30.0,test,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C
525526,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C,332.14272,[M+H]+,60.0,test,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C
525527,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C,332.14272,[M+H]+,20.0,test,Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C
525528,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1,332.14272,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1
525529,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1,332.14272,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1
525530,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1,332.14272,[M+H]+,30.0,test,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1
525531,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1,332.14272,[M+H]+,60.0,test,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1
525532,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1,332.14272,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1
525533,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1,332.14272,[M+H]+,45.0,test,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1
525534,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1,332.14272,[M+H]+,60.0,test,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1
525535,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1,332.14272,[M+H]+,20.0,test,Cc1nc(C)c(C(=O)NC2CCC(Oc3ccccn3)CC2)s1
525536,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1,332.14272,[M+H]+,20.0,test,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1
525537,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1,332.14272,[M+H]+,20.0,test,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1
525538,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1,332.14272,[M+H]+,45.0,test,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1
525539,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1,332.14272,[M+H]+,60.0,test,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1
525540,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1,332.14272,[M+H]+,20.0,test,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1
525541,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1,332.14272,[M+H]+,60.0,test,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1
525542,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1,332.14272,[M+H]+,45.0,test,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1
525543,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1,332.14272,[M+H]+,20.0,test,CCc1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)ncn1
525544,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12,332.14272,[M+H]+,20.0,test,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12
525545,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12,332.14272,[M+H]+,20.0,test,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12
525546,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12,332.14272,[M+H]+,45.0,test,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12
525547,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12,332.14272,[M+H]+,60.0,test,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12
525548,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12,332.14272,[M+H]+,20.0,test,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12
525549,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12,332.14272,[M+H]+,45.0,test,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12
525550,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12,332.14272,[M+H]+,60.0,test,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12
525551,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12,332.14272,[M+H]+,20.0,test,CCc1cccc2sc(N3CCOC(C(=O)NC4CC4)C3)nc12
525552,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1,332.14272,[M+H]+,20.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1
525553,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1,332.14272,[M+H]+,20.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1
525554,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1,332.14272,[M+H]+,45.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1
525555,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1,332.14272,[M+H]+,60.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1
525556,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1,332.14272,[M+H]+,20.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1
525557,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1,332.14272,[M+H]+,60.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1
525558,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1,332.14272,[M+H]+,45.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1
525559,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1,332.14272,[M+H]+,20.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1
525560,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1,332.14272,[M+H]+,20.0,test,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1
525561,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1,332.14272,[M+H]+,20.0,test,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1
525562,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1,332.14272,[M+H]+,60.0,test,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1
525563,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1,332.14272,[M+H]+,15.0,test,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1
525564,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1,332.14272,[M+H]+,20.0,test,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1
525565,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1,332.14272,[M+H]+,20.0,test,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1
525566,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1,332.14272,[M+H]+,15.0,test,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1
525567,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1,332.14272,[M+H]+,60.0,test,Cc1cc(OC2CCN(C(=O)Cc3ccsc3)CC2)nc(C)n1
525568,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21,332.14272,[M+H]+,20.0,test,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21
525569,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21,332.14272,[M+H]+,20.0,test,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21
525570,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21,332.14272,[M+H]+,45.0,test,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21
525571,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21,332.14272,[M+H]+,60.0,test,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21
525572,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21,332.14272,[M+H]+,20.0,test,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21
525573,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21,332.14272,[M+H]+,45.0,test,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21
525574,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21,332.14272,[M+H]+,60.0,test,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21
525575,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21,332.14272,[M+H]+,20.0,test,CCOC(=O)C1CCc2sc3ncnc(NC4CCCC4)c3c21
525576,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O,332.14272,[M+H]+,20.0,test,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O
525577,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O,332.14272,[M+H]+,20.0,test,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O
525578,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O,332.14272,[M+H]+,60.0,test,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O
525579,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O,332.14272,[M+H]+,30.0,test,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O
525580,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O,332.14272,[M+H]+,20.0,test,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O
525581,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O,332.14272,[M+H]+,60.0,test,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O
525582,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O,332.14272,[M+H]+,30.0,test,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O
525583,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O,332.14272,[M+H]+,20.0,test,CCCCN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O
525584,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525585,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525586,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,60.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525587,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,30.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525588,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,332.14272,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
525589,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525590,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525591,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525592,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,15.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525593,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525594,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525595,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525596,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C,332.14272,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C
525597,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,346.14085,[M-H]-,20.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525598,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,346.14085,[M-H]-,20.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525599,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,346.14085,[M-H]-,60.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525600,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,346.14085,[M-H]-,30.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525601,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,346.14085,[M-H]-,20.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525602,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,348.1554,[M+H]+,20.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525603,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,348.1554,[M+H]+,20.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525604,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,348.1554,[M+H]+,60.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525605,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,348.1554,[M+H]+,15.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525606,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O,348.1554,[M+H]+,20.0,test,CC[C@@H](C)[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525607,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,346.14085,[M-H]-,20.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525608,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,346.14085,[M-H]-,20.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525609,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,346.14085,[M-H]-,45.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525610,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,346.14085,[M-H]-,60.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525611,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,346.14085,[M-H]-,20.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525612,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,346.14085,[M-H]-,45.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525613,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,346.14085,[M-H]-,60.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525614,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,346.14085,[M-H]-,20.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525615,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C,348.1554,[M+H]+,20.0,test,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C
525616,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C,348.1554,[M+H]+,20.0,test,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C
525617,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C,348.1554,[M+H]+,60.0,test,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C
525618,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C,348.1554,[M+H]+,15.0,test,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C
525619,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C,348.1554,[M+H]+,20.0,test,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C
525620,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C,348.1554,[M+H]+,20.0,test,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C
525621,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C,348.1554,[M+H]+,60.0,test,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C
525622,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C,348.1554,[M+H]+,15.0,test,CCOC(=O)c1cc(C(=O)NCc2cc(OC)cc(OC)c2)nn1C
525623,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,348.1554,[M+H]+,20.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525624,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,348.1554,[M+H]+,20.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525625,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,348.1554,[M+H]+,60.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525626,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,348.1554,[M+H]+,30.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525627,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,348.1554,[M+H]+,20.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525628,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,348.1554,[M+H]+,30.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525629,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,348.1554,[M+H]+,60.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525630,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC,348.1554,[M+H]+,20.0,test,COc1cc(C(=O)NCc2nc(=O)c(C)c(C)[nH]2)cc(OC)c1OC
525631,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,378.11292,[M-H]-,20.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525632,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,378.11292,[M-H]-,20.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525633,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,378.11292,[M-H]-,60.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525634,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,378.11292,[M-H]-,30.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525635,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,378.11292,[M-H]-,20.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525636,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,378.11292,[M-H]-,60.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525637,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,378.11292,[M-H]-,30.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525638,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,378.11292,[M-H]-,20.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525639,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,380.12747,[M+H]+,20.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525640,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,380.12747,[M+H]+,20.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525641,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,380.12747,[M+H]+,60.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525642,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,380.12747,[M+H]+,30.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525643,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,380.12747,[M+H]+,20.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525644,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,380.12747,[M+H]+,60.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525645,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,380.12747,[M+H]+,30.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525646,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1,380.12747,[M+H]+,20.0,test,Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC(C)C3)c2)no1
525647,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,378.11292,[M-H]-,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525648,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,378.11292,[M-H]-,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525649,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,378.11292,[M-H]-,60.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525650,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,378.11292,[M-H]-,15.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525651,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,378.11292,[M-H]-,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525652,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,424.11839,[M+FA]-,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525653,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,424.11839,[M+FA]-,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525654,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,424.11839,[M+FA]-,60.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525655,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,424.11839,[M+FA]-,15.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525656,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,424.11839,[M+FA]-,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525657,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,380.12747,[M+H]+,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525658,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,380.12747,[M+H]+,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525659,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,380.12747,[M+H]+,60.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525660,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,380.12747,[M+H]+,30.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525661,COc1ccccc1OCCNS(=O)(=O)c1cn2CCCNC(=O)c2c1,380.12747,[M+H]+,20.0,test,COc1ccccc1OCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O
525662,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,378.11292,[M-H]-,20.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525663,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,378.11292,[M-H]-,20.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525664,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,378.11292,[M-H]-,60.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525665,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,378.11292,[M-H]-,30.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525666,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,378.11292,[M-H]-,20.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525667,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,378.11292,[M-H]-,60.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525668,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,378.11292,[M-H]-,30.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525669,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,378.11292,[M-H]-,20.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525670,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,380.12747,[M+H]+,20.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525671,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,380.12747,[M+H]+,20.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525672,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,380.12747,[M+H]+,60.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525673,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,380.12747,[M+H]+,30.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525674,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O,380.12747,[M+H]+,20.0,test,CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
525675,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21,380.12747,[M+H]+,20.0,test,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21
525676,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21,380.12747,[M+H]+,20.0,test,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21
525677,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21,380.12747,[M+H]+,60.0,test,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21
525678,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21,380.12747,[M+H]+,30.0,test,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21
525679,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21,380.12747,[M+H]+,20.0,test,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21
525680,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21,380.12747,[M+H]+,30.0,test,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21
525681,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21,380.12747,[M+H]+,20.0,test,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21
525682,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21,380.12747,[M+H]+,60.0,test,COC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc21
525683,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,378.13384,[M+Cl]-,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525684,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,388.16264,[M+FA]-,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525685,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,388.16264,[M+FA]-,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525686,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,388.16264,[M+FA]-,60.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525687,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,388.16264,[M+FA]-,15.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525688,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,388.16264,[M+FA]-,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525689,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,388.16264,[M+FA]-,60.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525690,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,388.16264,[M+FA]-,15.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525691,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,388.16264,[M+FA]-,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525692,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,342.15716,[M-H]-,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525693,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,342.15716,[M-H]-,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525694,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,342.15716,[M-H]-,60.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525695,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,342.15716,[M-H]-,30.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525696,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,342.15716,[M-H]-,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525697,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,388.16264,[M+FA]-,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525698,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,388.16264,[M+FA]-,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525699,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,388.16264,[M+FA]-,60.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525700,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,388.16264,[M+FA]-,15.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525701,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,388.16264,[M+FA]-,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525702,COc1cc2c(cc1)OCC[C@H]2n1cc(CN2CCNC(=O)C2)nn1,344.17172,[M+H]+,20.0,test,COc1ccc2c(c1)[C@H](n1cc(CN3CCNC(=O)C3)nn1)CCO2
525703,COc1cc2c(cc1)OCC[C@H]2n1cc(CN2CCNC(=O)C2)nn1,344.17172,[M+H]+,20.0,test,COc1ccc2c(c1)[C@H](n1cc(CN3CCNC(=O)C3)nn1)CCO2
525704,COc1cc2c(cc1)OCC[C@H]2n1cc(CN2CCNC(=O)C2)nn1,344.17172,[M+H]+,60.0,test,COc1ccc2c(c1)[C@H](n1cc(CN3CCNC(=O)C3)nn1)CCO2
525705,COc1cc2c(cc1)OCC[C@H]2n1cc(CN2CCNC(=O)C2)nn1,344.17172,[M+H]+,15.0,test,COc1ccc2c(c1)[C@H](n1cc(CN3CCNC(=O)C3)nn1)CCO2
525706,COc1cc2c(cc1)OCC[C@H]2n1cc(CN2CCNC(=O)C2)nn1,344.17172,[M+H]+,20.0,test,COc1ccc2c(c1)[C@H](n1cc(CN3CCNC(=O)C3)nn1)CCO2
525707,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525708,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525709,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,60.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525710,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525711,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,45.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525712,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525713,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525714,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,60.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525715,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,30.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525716,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1,344.17172,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1
525717,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O,344.17172,[M+H]+,20.0,test,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O
525718,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O,344.17172,[M+H]+,20.0,test,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O
525719,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O,344.17172,[M+H]+,60.0,test,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O
525720,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O,344.17172,[M+H]+,30.0,test,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O
525721,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O,344.17172,[M+H]+,20.0,test,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O
525722,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O,344.17172,[M+H]+,60.0,test,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O
525723,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O,344.17172,[M+H]+,30.0,test,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O
525724,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O,344.17172,[M+H]+,20.0,test,CCN(C(=O)Cn1ncn(C)c1=O)C1CCN(c2ccccc2)C1=O
525725,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1,344.17172,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
525726,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1,344.17172,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
525727,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1,344.17172,[M+H]+,60.0,test,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
525728,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1,344.17172,[M+H]+,30.0,test,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
525729,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1,344.17172,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
525730,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1,344.17172,[M+H]+,60.0,test,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
525731,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1,344.17172,[M+H]+,30.0,test,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
525732,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1,344.17172,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
525733,CNC(=O)c1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1,344.17172,[M+H]+,20.0,test,CNC(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1
525734,CNC(=O)c1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1,344.17172,[M+H]+,20.0,test,CNC(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1
525735,CNC(=O)c1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1,344.17172,[M+H]+,30.0,test,CNC(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1
525736,CNC(=O)c1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1,344.17172,[M+H]+,60.0,test,CNC(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1
525737,CNC(=O)c1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1,344.17172,[M+H]+,15.0,test,CNC(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1
525738,CNC(=O)c1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1,344.17172,[M+H]+,20.0,test,CNC(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1
525739,CNC(=O)c1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1,344.17172,[M+H]+,60.0,test,CNC(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1
525740,CNC(=O)c1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1,344.17172,[M+H]+,20.0,test,CNC(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1
525741,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,344.17172,[M+H]+,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525742,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,344.17172,[M+H]+,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525743,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,344.17172,[M+H]+,60.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525744,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,344.17172,[M+H]+,30.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525745,Cc1nnc2CN(C(=O)Cc3cc(O)ccc3)C(C(=O)N(C)C)Cn12,344.17172,[M+H]+,20.0,test,Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1cccc(O)c1)C2
525746,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,342.15716,[M-H]-,20.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525747,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,342.15716,[M-H]-,20.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525748,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,342.15716,[M-H]-,60.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525749,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,342.15716,[M-H]-,15.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525750,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,342.15716,[M-H]-,20.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525751,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,342.15716,[M-H]-,20.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525752,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,342.15716,[M-H]-,20.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525753,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,342.15716,[M-H]-,60.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525754,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,342.15716,[M-H]-,30.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525755,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,342.15716,[M-H]-,20.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525756,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,342.15716,[M-H]-,60.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525757,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,342.15716,[M-H]-,30.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525758,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,342.15716,[M-H]-,20.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525759,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525760,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525761,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,60.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525762,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,30.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525763,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525764,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,326.16116,[M+H-H2O]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525765,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,326.16116,[M+H-H2O]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525766,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,326.16116,[M+H-H2O]+,60.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525767,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,326.16116,[M+H-H2O]+,15.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525768,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,326.16116,[M+H-H2O]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525769,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525770,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525771,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,60.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525772,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525773,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,45.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525774,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,344.17172,[M+H]+,20.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525775,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,344.17172,[M+H]+,20.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525776,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,344.17172,[M+H]+,60.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525777,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,344.17172,[M+H]+,15.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525778,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,344.17172,[M+H]+,20.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525779,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,344.17172,[M+H]+,60.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525780,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,344.17172,[M+H]+,15.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525781,CCCCC(=O)NC(=O)NC(=O)c1c(N)n(-c2ccccc2)nc1C,344.17172,[M+H]+,20.0,test,CCCCC(=O)NC(=O)NC(=O)c1c(C)nn(-c2ccccc2)c1N
525782,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,344.17172,[M+H]+,20.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525783,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,344.17172,[M+H]+,20.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525784,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,344.17172,[M+H]+,60.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525785,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,344.17172,[M+H]+,30.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525786,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1,344.17172,[M+H]+,20.0,test,COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc1
525787,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,342.15716,[M-H]-,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525788,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,342.15716,[M-H]-,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525789,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,342.15716,[M-H]-,60.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525790,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,342.15716,[M-H]-,30.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525791,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,342.15716,[M-H]-,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525792,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,342.15716,[M-H]-,45.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525793,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,342.15716,[M-H]-,60.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525794,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,342.15716,[M-H]-,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525795,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,378.13384,[M+Cl]-,15.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525796,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,378.13384,[M+Cl]-,15.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525797,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,388.16264,[M+FA]-,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525798,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,388.16264,[M+FA]-,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525799,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,388.16264,[M+FA]-,60.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525800,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,388.16264,[M+FA]-,15.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525801,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,388.16264,[M+FA]-,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525802,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,388.16264,[M+FA]-,15.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525803,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,388.16264,[M+FA]-,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525804,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,388.16264,[M+FA]-,60.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525805,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525806,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525807,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,60.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525808,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,30.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525809,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525810,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,30.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525811,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525812,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,342.15716,[M-H]-,60.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525813,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,388.16264,[M+FA]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525814,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,388.16264,[M+FA]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525815,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,388.16264,[M+FA]-,60.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525816,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,388.16264,[M+FA]-,15.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525817,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,388.16264,[M+FA]-,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525818,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C,344.17172,[M+H]+,20.0,test,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C
525819,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C,344.17172,[M+H]+,20.0,test,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C
525820,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C,344.17172,[M+H]+,60.0,test,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C
525821,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C,344.17172,[M+H]+,30.0,test,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C
525822,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C,344.17172,[M+H]+,20.0,test,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C
525823,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C,344.17172,[M+H]+,30.0,test,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C
525824,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C,344.17172,[M+H]+,60.0,test,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C
525825,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C,344.17172,[M+H]+,20.0,test,Cc1ncn(CC(=O)N2CCCC(Oc3ncccn3)C2)c(=O)c1C
525826,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,344.17172,[M+H]+,20.0,test,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
525827,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,344.17172,[M+H]+,20.0,test,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
525828,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,344.17172,[M+H]+,45.0,test,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
525829,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,344.17172,[M+H]+,60.0,test,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
525830,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,344.17172,[M+H]+,20.0,test,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
525831,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,344.17172,[M+H]+,60.0,test,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
525832,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,344.17172,[M+H]+,45.0,test,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
525833,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,344.17172,[M+H]+,20.0,test,CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
525834,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525835,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525836,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,45.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525837,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,60.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525838,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525839,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,45.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525840,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,60.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525841,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O,344.17172,[M+H]+,20.0,test,CCC(C)C(CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O
525842,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,344.17172,[M+H]+,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525843,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,344.17172,[M+H]+,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525844,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,344.17172,[M+H]+,45.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525845,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,344.17172,[M+H]+,60.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525846,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,344.17172,[M+H]+,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525847,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,344.17172,[M+H]+,60.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525848,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,344.17172,[M+H]+,45.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525849,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1,344.17172,[M+H]+,20.0,test,CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1
525850,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,344.17172,[M+H]+,20.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525851,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,344.17172,[M+H]+,20.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525852,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,344.17172,[M+H]+,60.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525853,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,344.17172,[M+H]+,30.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525854,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,344.17172,[M+H]+,20.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525855,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,344.17172,[M+H]+,30.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525856,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,344.17172,[M+H]+,20.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525857,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,344.17172,[M+H]+,60.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525858,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,366.15366,[M+Na]+,20.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525859,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,366.15366,[M+Na]+,20.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525860,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,366.15366,[M+Na]+,45.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525861,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,366.15366,[M+Na]+,60.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525862,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C,366.15366,[M+Na]+,20.0,test,Cc1ncn(CC(=O)NCCn2nc(C3CC3)ccc2=O)c(=O)c1C
525863,Cc1cc(=O)oc2c1ccc(O)c2CN[C@@H](CC(C)C)C(=O)O,318.1347,[M-H]-,20.0,test,Cc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12
525864,Cc1cc(=O)oc2c1ccc(O)c2CN[C@@H](CC(C)C)C(=O)O,318.1347,[M-H]-,20.0,test,Cc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12
525865,Cc1cc(=O)oc2c1ccc(O)c2CN[C@@H](CC(C)C)C(=O)O,318.1347,[M-H]-,60.0,test,Cc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12
525866,Cc1cc(=O)oc2c1ccc(O)c2CN[C@@H](CC(C)C)C(=O)O,318.1347,[M-H]-,30.0,test,Cc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12
525867,Cc1cc(=O)oc2c1ccc(O)c2CN[C@@H](CC(C)C)C(=O)O,318.1347,[M-H]-,20.0,test,Cc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12
525868,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,318.1347,[M-H]-,20.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525869,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,318.1347,[M-H]-,20.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525870,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,318.1347,[M-H]-,45.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525871,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,318.1347,[M-H]-,60.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525872,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,318.1347,[M-H]-,20.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525873,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,318.1347,[M-H]-,45.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525874,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,318.1347,[M-H]-,20.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525875,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,318.1347,[M-H]-,60.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525876,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1,320.14925,[M+H]+,20.0,test,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1
525877,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1,320.14925,[M+H]+,20.0,test,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1
525878,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1,320.14925,[M+H]+,60.0,test,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1
525879,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1,320.14925,[M+H]+,30.0,test,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1
525880,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1,320.14925,[M+H]+,20.0,test,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1
525881,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1,320.14925,[M+H]+,20.0,test,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1
525882,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1,320.14925,[M+H]+,30.0,test,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1
525883,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1,320.14925,[M+H]+,60.0,test,O=C(C1COc2ccccc2O1)N1CC(OCC2CCOC2)C1
525884,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,320.14925,[M+H]+,20.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525885,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,320.14925,[M+H]+,20.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525886,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,320.14925,[M+H]+,30.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525887,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,320.14925,[M+H]+,60.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525888,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,320.14925,[M+H]+,15.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525889,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,320.14925,[M+H]+,20.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525890,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,320.14925,[M+H]+,60.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525891,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1,320.14925,[M+H]+,20.0,test,CCOCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(O)cc1
525892,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1,340.11325,[M+H]+,20.0,test,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1
525893,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1,340.11325,[M+H]+,20.0,test,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1
525894,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1,340.11325,[M+H]+,60.0,test,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1
525895,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1,340.11325,[M+H]+,15.0,test,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1
525896,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1,340.11325,[M+H]+,20.0,test,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1
525897,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1,340.11325,[M+H]+,60.0,test,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1
525898,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1,340.11325,[M+H]+,15.0,test,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1
525899,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1,340.11325,[M+H]+,20.0,test,CCC(C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1
525900,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,276.17582,[M+H]+,20.0,test,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
525901,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,276.17582,[M+H]+,20.0,test,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
525902,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,276.17582,[M+H]+,60.0,test,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
525903,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,276.17582,[M+H]+,20.0,test,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
525904,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,276.17582,[M+H]+,45.0,test,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
525905,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,276.17582,[M+H]+,60.0,test,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
525906,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,276.17582,[M+H]+,20.0,test,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
525907,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,276.17582,[M+H]+,45.0,test,O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
525908,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,333.1456,[M-H]-,30.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525909,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,333.1456,[M-H]-,30.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525910,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,333.1456,[M-H]-,20.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525911,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,333.1456,[M-H]-,60.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525912,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,333.1456,[M-H]-,30.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525913,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O,333.1456,[M-H]-,20.0,test,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O
525914,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O,333.1456,[M-H]-,20.0,test,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O
525915,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O,333.1456,[M-H]-,60.0,test,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O
525916,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O,333.1456,[M-H]-,30.0,test,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O
525917,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O,333.1456,[M-H]-,20.0,test,CCC(NC(=O)c1ccc(CNC(=O)C2CCCO2)cc1)C(=O)O
525918,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,335.16015,[M+H]+,20.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525919,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,335.16015,[M+H]+,60.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525920,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,335.16015,[M+H]+,20.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525921,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O,335.16015,[M+H]+,20.0,test,CCCCC(NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1)C(=O)O
525922,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,379.15107,[M+FA]-,20.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525923,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,379.15107,[M+FA]-,20.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525924,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,379.15107,[M+FA]-,60.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525925,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,379.15107,[M+FA]-,15.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525926,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,379.15107,[M+FA]-,20.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525927,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,335.16015,[M+H]+,20.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525928,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,335.16015,[M+H]+,20.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525929,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,335.16015,[M+H]+,60.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525930,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,335.16015,[M+H]+,15.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525931,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,335.16015,[M+H]+,20.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525932,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,357.14209,[M+Na]+,20.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525933,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1,357.14209,[M+Na]+,20.0,test,CCOC(=O)CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
525934,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,413.08465,[M-H]-,30.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525935,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,413.08465,[M-H]-,30.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525936,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,413.08465,[M-H]-,20.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525937,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,413.08465,[M-H]-,60.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525938,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,413.08465,[M-H]-,30.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525939,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,415.0992,[M+H]+,20.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525940,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,415.0992,[M+H]+,20.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525941,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,415.0992,[M+H]+,60.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525942,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,415.0992,[M+H]+,15.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525943,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,415.0992,[M+H]+,20.0,test,CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
525944,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,345.15683,[M-H]-,20.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525945,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,345.15683,[M-H]-,20.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525946,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,345.15683,[M-H]-,60.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525947,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,345.15683,[M-H]-,20.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525948,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,345.15683,[M-H]-,45.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525949,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,345.15683,[M-H]-,60.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525950,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,345.15683,[M-H]-,20.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525951,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,345.15683,[M-H]-,45.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525952,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,345.15683,[M-H]-,20.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525953,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,345.15683,[M-H]-,20.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525954,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,345.15683,[M-H]-,60.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525955,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,345.15683,[M-H]-,20.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525956,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,345.15683,[M-H]-,45.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525957,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1,347.17138,[M+H]+,20.0,test,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1
525958,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1,347.17138,[M+H]+,20.0,test,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1
525959,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1,347.17138,[M+H]+,60.0,test,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1
525960,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1,347.17138,[M+H]+,15.0,test,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1
525961,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1,347.17138,[M+H]+,20.0,test,CCOc1ccc(OCC(=O)N2CCC(n3cn[nH]c3=O)CC2)cc1
525962,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,347.17138,[M+H]+,20.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525963,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,347.17138,[M+H]+,20.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525964,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,347.17138,[M+H]+,60.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525965,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,347.17138,[M+H]+,30.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525966,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,347.17138,[M+H]+,20.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525967,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,347.17138,[M+H]+,60.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525968,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,347.17138,[M+H]+,30.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525969,CCn1c(=O)c(=O)[nH]c2c1ccc(C(=O)NCC1CN(C)CCO1)c2,347.17138,[M+H]+,20.0,test,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CN(C)CCO3)ccc21
525970,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,347.17138,[M+H]+,20.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525971,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,347.17138,[M+H]+,20.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525972,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,347.17138,[M+H]+,60.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525973,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,347.17138,[M+H]+,30.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525974,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,347.17138,[M+H]+,20.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525975,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,347.17138,[M+H]+,60.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525976,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,347.17138,[M+H]+,30.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525977,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1,347.17138,[M+H]+,20.0,test,Cn1nc(-c2ccco2)cc1NC(=O)N1CCOC2(CCCOC2)C1
525978,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1,347.17138,[M+H]+,20.0,test,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1
525979,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1,347.17138,[M+H]+,20.0,test,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1
525980,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1,347.17138,[M+H]+,60.0,test,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1
525981,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1,347.17138,[M+H]+,30.0,test,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1
525982,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1,347.17138,[M+H]+,20.0,test,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1
525983,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1,347.17138,[M+H]+,60.0,test,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1
525984,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1,347.17138,[M+H]+,30.0,test,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1
525985,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1,347.17138,[M+H]+,20.0,test,Cc1nc(COc2ccccc2C(=O)NCC2CN(C)CCO2)no1
525986,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,345.15683,[M-H]-,20.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525987,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,345.15683,[M-H]-,20.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525988,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,345.15683,[M-H]-,60.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525989,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,345.15683,[M-H]-,30.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525990,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,345.15683,[M-H]-,20.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525991,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,347.17138,[M+H]+,20.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525992,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,347.17138,[M+H]+,20.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525993,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,347.17138,[M+H]+,60.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525994,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,347.17138,[M+H]+,15.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525995,Cc1c2ccn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccc1,347.17138,[M+H]+,20.0,test,Cc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O
525996,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1,347.17138,[M+H]+,20.0,test,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1
525997,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1,347.17138,[M+H]+,20.0,test,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1
525998,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1,347.17138,[M+H]+,60.0,test,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1
525999,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1,347.17138,[M+H]+,15.0,test,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1
526000,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1,347.17138,[M+H]+,20.0,test,O=C(NCc1ccco1)N1CCCC(OCc2nc(C3CC3)no2)C1
526001,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,347.17138,[M+H]+,20.0,test,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
526002,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,347.17138,[M+H]+,20.0,test,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
526003,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,347.17138,[M+H]+,30.0,test,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
526004,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,347.17138,[M+H]+,60.0,test,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
526005,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,347.17138,[M+H]+,15.0,test,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
526006,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,347.17138,[M+H]+,20.0,test,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
526007,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,347.17138,[M+H]+,60.0,test,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
526008,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,347.17138,[M+H]+,20.0,test,CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
526009,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1,347.17138,[M+H]+,20.0,test,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
526010,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1,347.17138,[M+H]+,20.0,test,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
526011,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1,347.17138,[M+H]+,60.0,test,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
526012,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1,347.17138,[M+H]+,30.0,test,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
526013,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1,347.17138,[M+H]+,20.0,test,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
526014,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1,347.17138,[M+H]+,30.0,test,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
526015,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1,347.17138,[M+H]+,20.0,test,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
526016,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1,347.17138,[M+H]+,60.0,test,CCc1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
526017,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1,347.17138,[M+H]+,20.0,test,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
526018,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1,347.17138,[M+H]+,20.0,test,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
526019,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1,347.17138,[M+H]+,45.0,test,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
526020,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1,347.17138,[M+H]+,60.0,test,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
526021,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1,347.17138,[M+H]+,20.0,test,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
526022,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1,347.17138,[M+H]+,45.0,test,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
526023,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1,347.17138,[M+H]+,60.0,test,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
526024,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1,347.17138,[M+H]+,20.0,test,CCOc1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
526025,COC1CCCC(C)OC(=O)Cc2c(C(=O)C1)c(O)cc(O)c2,321.13436,[M-H]-,20.0,test,COC1CCCC(C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1
526026,COC1CCCC(C)OC(=O)Cc2c(C(=O)C1)c(O)cc(O)c2,321.13436,[M-H]-,20.0,test,COC1CCCC(C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1
526027,COC1CCCC(C)OC(=O)Cc2c(C(=O)C1)c(O)cc(O)c2,321.13436,[M-H]-,60.0,test,COC1CCCC(C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1
526028,COC1CCCC(C)OC(=O)Cc2c(C(=O)C1)c(O)cc(O)c2,321.13436,[M-H]-,20.0,test,COC1CCCC(C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1
526029,COC1CCCC(C)OC(=O)Cc2c(C(=O)C1)c(O)cc(O)c2,321.13436,[M-H]-,45.0,test,COC1CCCC(C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1
526030,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O,321.13436,[M-H]-,20.0,test,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O
526031,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O,321.13436,[M-H]-,20.0,test,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O
526032,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O,321.13436,[M-H]-,60.0,test,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O
526033,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O,321.13436,[M-H]-,30.0,test,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O
526034,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O,321.13436,[M-H]-,20.0,test,COC1(C)C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1O
526035,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,340.17546,[M+NH4]+,20.0,test,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12
526036,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,340.17546,[M+NH4]+,20.0,test,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12
526037,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,340.17546,[M+NH4]+,30.0,test,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12
526038,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,340.17546,[M+NH4]+,60.0,test,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12
526039,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,340.17546,[M+NH4]+,15.0,test,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12
526040,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,340.17546,[M+NH4]+,20.0,test,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12
526041,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,340.17546,[M+NH4]+,60.0,test,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12
526042,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,340.17546,[M+NH4]+,20.0,test,C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12
526043,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC,323.14891,[M+H]+,20.0,test,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC
526044,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC,323.14891,[M+H]+,20.0,test,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC
526045,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC,323.14891,[M+H]+,45.0,test,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC
526046,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC,323.14891,[M+H]+,60.0,test,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC
526047,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC,323.14891,[M+H]+,20.0,test,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC
526048,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC,323.14891,[M+H]+,60.0,test,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC
526049,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC,323.14891,[M+H]+,45.0,test,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC
526050,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC,323.14891,[M+H]+,20.0,test,COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)OC
526051,Cc1c(Br)c(NC2CCC(O)CC2)nc(-n2c(C)ccc2C)n1,379.1128,[M+H]+,20.0,test,Cc1nc(-n2c(C)ccc2C)nc(NC2CCC(O)CC2)c1Br
526052,Cc1c(Br)c(NC2CCC(O)CC2)nc(-n2c(C)ccc2C)n1,379.1128,[M+H]+,20.0,test,Cc1nc(-n2c(C)ccc2C)nc(NC2CCC(O)CC2)c1Br
526053,Cc1c(Br)c(NC2CCC(O)CC2)nc(-n2c(C)ccc2C)n1,379.1128,[M+H]+,60.0,test,Cc1nc(-n2c(C)ccc2C)nc(NC2CCC(O)CC2)c1Br
526054,Cc1c(Br)c(NC2CCC(O)CC2)nc(-n2c(C)ccc2C)n1,379.1128,[M+H]+,20.0,test,Cc1nc(-n2c(C)ccc2C)nc(NC2CCC(O)CC2)c1Br
526055,Cc1c(Br)c(NC2CCC(O)CC2)nc(-n2c(C)ccc2C)n1,379.1128,[M+H]+,45.0,test,Cc1nc(-n2c(C)ccc2C)nc(NC2CCC(O)CC2)c1Br
526056,Cc1c(Br)c(NC2CCC(O)CC2)nc(-n2c(C)ccc2C)n1,379.1128,[M+H]+,60.0,test,Cc1nc(-n2c(C)ccc2C)nc(NC2CCC(O)CC2)c1Br
526057,Cc1c(Br)c(NC2CCC(O)CC2)nc(-n2c(C)ccc2C)n1,379.1128,[M+H]+,20.0,test,Cc1nc(-n2c(C)ccc2C)nc(NC2CCC(O)CC2)c1Br
526058,Cc1c(Br)c(NC2CCC(O)CC2)nc(-n2c(C)ccc2C)n1,379.1128,[M+H]+,45.0,test,Cc1nc(-n2c(C)ccc2C)nc(NC2CCC(O)CC2)c1Br
526059,CC(CN1C(C)CCCC1C)OC(=O)c1c(Cl)cc(Cl)cc1,344.11786,[M+H]+,20.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526060,CC(CN1C(C)CCCC1C)OC(=O)c1c(Cl)cc(Cl)cc1,344.11786,[M+H]+,20.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526061,CC(CN1C(C)CCCC1C)OC(=O)c1c(Cl)cc(Cl)cc1,344.11786,[M+H]+,60.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526062,CC(CN1C(C)CCCC1C)OC(=O)c1c(Cl)cc(Cl)cc1,344.11786,[M+H]+,20.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526063,CC(CN1C(C)CCCC1C)OC(=O)c1c(Cl)cc(Cl)cc1,344.11786,[M+H]+,45.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526064,CC(CN1C(C)CCCC1C)OC(=O)c1c(Cl)cc(Cl)cc1,344.11786,[M+H]+,60.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526065,CC(CN1C(C)CCCC1C)OC(=O)c1c(Cl)cc(Cl)cc1,344.11786,[M+H]+,20.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526066,CC(CN1C(C)CCCC1C)OC(=O)c1c(Cl)cc(Cl)cc1,344.11786,[M+H]+,45.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526067,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl,344.11786,[M+H]+,20.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526068,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl,344.11786,[M+H]+,20.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526069,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl,344.11786,[M+H]+,45.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526070,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl,344.11786,[M+H]+,60.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526071,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl,344.11786,[M+H]+,20.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526072,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl,344.11786,[M+H]+,20.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526073,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl,344.11786,[M+H]+,45.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526074,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl,344.11786,[M+H]+,60.0,test,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
526075,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1,344.11786,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1
526076,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1,344.11786,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1
526077,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1,344.11786,[M+H]+,60.0,test,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1
526078,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1,344.11786,[M+H]+,30.0,test,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1
526079,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1,344.11786,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1
526080,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1,344.11786,[M+H]+,30.0,test,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1
526081,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1,344.11786,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1
526082,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1,344.11786,[M+H]+,60.0,test,CC1CC(C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1
526083,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1,344.11786,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1
526084,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1,344.11786,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1
526085,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1,344.11786,[M+H]+,60.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1
526086,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1,344.11786,[M+H]+,30.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1
526087,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1,344.11786,[M+H]+,20.0,test,O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1
526088,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,321.13753,[M-H]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526089,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,321.13753,[M-H]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526090,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,321.13753,[M-H]-,60.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526091,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,321.13753,[M-H]-,30.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526092,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,321.13753,[M-H]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526093,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,357.11421,[M+Cl]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526094,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,357.11421,[M+Cl]-,15.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526095,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,357.11421,[M+Cl]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526096,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,367.14301,[M+FA]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526097,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,367.14301,[M+FA]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526098,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,367.14301,[M+FA]-,60.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526099,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,367.14301,[M+FA]-,15.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526100,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,367.14301,[M+FA]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526101,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,367.14301,[M+FA]-,60.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526102,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,367.14301,[M+FA]-,15.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526103,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,367.14301,[M+FA]-,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526104,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,323.15208,[M+H]+,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526105,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,323.15208,[M+H]+,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526106,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,323.15208,[M+H]+,60.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526107,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,323.15208,[M+H]+,30.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526108,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,323.15208,[M+H]+,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526109,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,323.15208,[M+H]+,60.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526110,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,323.15208,[M+H]+,30.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526111,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1,323.15208,[M+H]+,20.0,test,CCC(NC(=O)N1C2CCC1C(CO)C2)c1ccc(Cl)cc1
526112,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl,323.15208,[M+H]+,20.0,test,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl
526113,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl,323.15208,[M+H]+,20.0,test,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl
526114,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl,323.15208,[M+H]+,45.0,test,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl
526115,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl,323.15208,[M+H]+,60.0,test,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl
526116,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl,323.15208,[M+H]+,20.0,test,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl
526117,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl,323.15208,[M+H]+,60.0,test,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl
526118,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl,323.15208,[M+H]+,45.0,test,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl
526119,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl,323.15208,[M+H]+,20.0,test,O=C(NCC1CCN(C2CCOC2)CC1)c1ccccc1Cl
526120,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1,323.15208,[M+H]+,20.0,test,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1
526121,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1,323.15208,[M+H]+,20.0,test,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1
526122,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1,323.15208,[M+H]+,60.0,test,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1
526123,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1,323.15208,[M+H]+,15.0,test,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1
526124,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1,323.15208,[M+H]+,20.0,test,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1
526125,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1,323.15208,[M+H]+,60.0,test,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1
526126,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1,323.15208,[M+H]+,15.0,test,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1
526127,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1,323.15208,[M+H]+,20.0,test,Cc1c(Cl)cccc1-c1ccc(CNCCNCC(C)O)o1
526128,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,353.12736,[M-H]-,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526129,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,353.12736,[M-H]-,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526130,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,353.12736,[M-H]-,60.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526131,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,353.12736,[M-H]-,15.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526132,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,353.12736,[M-H]-,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526133,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,353.12736,[M-H]-,60.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526134,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,353.12736,[M-H]-,15.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526135,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,353.12736,[M-H]-,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526136,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,389.10404,[M+Cl]-,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526137,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,389.10404,[M+Cl]-,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526138,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,389.10404,[M+Cl]-,15.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526139,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,389.10404,[M+Cl]-,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526140,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,399.13284,[M+FA]-,15.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526141,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,399.13284,[M+FA]-,15.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526142,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,399.13284,[M+FA]-,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526143,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,399.13284,[M+FA]-,60.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526144,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,399.13284,[M+FA]-,15.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526145,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,355.14191,[M+H]+,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526146,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,355.14191,[M+H]+,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526147,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,355.14191,[M+H]+,60.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526148,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,355.14191,[M+H]+,15.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526149,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1,355.14191,[M+H]+,20.0,test,COC(=O)CCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1
526150,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,332.16158,[M-H]-,20.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526151,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,332.16158,[M-H]-,20.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526152,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,332.16158,[M-H]-,60.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526153,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,332.16158,[M-H]-,20.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526154,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,332.16158,[M-H]-,45.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526155,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,334.17613,[M+H]+,20.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526156,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,334.17613,[M+H]+,20.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526157,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,334.17613,[M+H]+,60.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526158,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,334.17613,[M+H]+,20.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526159,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4CCCn34)CC2)O1,334.17613,[M+H]+,60.0,test,O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1
526160,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,332.16158,[M-H]-,20.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526161,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,332.16158,[M-H]-,20.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526162,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,332.16158,[M-H]-,60.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526163,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,332.16158,[M-H]-,15.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526164,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,332.16158,[M-H]-,20.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526165,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,332.16158,[M-H]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526166,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,332.16158,[M-H]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526167,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,332.16158,[M-H]-,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526168,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,332.16158,[M-H]-,30.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526169,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,332.16158,[M-H]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526170,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,378.16706,[M+FA]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526171,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,378.16706,[M+FA]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526172,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,378.16706,[M+FA]-,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526173,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,378.16706,[M+FA]-,15.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526174,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,378.16706,[M+FA]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526175,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,316.16557,[M+H-H2O]+,30.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526176,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,316.16557,[M+H-H2O]+,30.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526177,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,316.16557,[M+H-H2O]+,20.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526178,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,316.16557,[M+H-H2O]+,60.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526179,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,316.16557,[M+H-H2O]+,30.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526180,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,334.17613,[M+H]+,20.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526181,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,334.17613,[M+H]+,20.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526182,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,334.17613,[M+H]+,60.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526183,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,334.17613,[M+H]+,15.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526184,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1,334.17613,[M+H]+,20.0,test,O=C1NCCN1C(=O)NCC(O)(c1ccccc1)C1CCOCC1
526185,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1,334.17613,[M+H]+,20.0,test,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1
526186,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1,334.17613,[M+H]+,20.0,test,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1
526187,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1,334.17613,[M+H]+,60.0,test,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1
526188,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1,334.17613,[M+H]+,30.0,test,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1
526189,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1,334.17613,[M+H]+,20.0,test,O=C(CN1CCN(CC(O)c2ccco2)CC1)NCc1ccco1
526190,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,316.16557,[M+H-H2O]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526191,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,316.16557,[M+H-H2O]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526192,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,316.16557,[M+H-H2O]+,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526193,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,316.16557,[M+H-H2O]+,15.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526194,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,316.16557,[M+H-H2O]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526195,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,334.17613,[M+H]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526196,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,334.17613,[M+H]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526197,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,334.17613,[M+H]+,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526198,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,334.17613,[M+H]+,30.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526199,COC(=O)N1CCc2c(cc(NC(=O)NC3CCOCC3)cc2)C1,334.17613,[M+H]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526200,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,332.16158,[M-H]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526201,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,332.16158,[M-H]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526202,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,332.16158,[M-H]-,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526203,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,332.16158,[M-H]-,30.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526204,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,332.16158,[M-H]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526205,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,368.13826,[M+Cl]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526206,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,368.13826,[M+Cl]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526207,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,368.13826,[M+Cl]-,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526208,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,368.13826,[M+Cl]-,15.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526209,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,368.13826,[M+Cl]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526210,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,378.16706,[M+FA]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526211,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,378.16706,[M+FA]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526212,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,378.16706,[M+FA]-,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526213,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,378.16706,[M+FA]-,15.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526214,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,378.16706,[M+FA]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526215,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,378.16706,[M+FA]-,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526216,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,378.16706,[M+FA]-,15.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526217,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,378.16706,[M+FA]-,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526218,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1,334.17613,[M+H]+,20.0,test,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1
526219,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1,334.17613,[M+H]+,20.0,test,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1
526220,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1,334.17613,[M+H]+,60.0,test,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1
526221,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1,334.17613,[M+H]+,30.0,test,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1
526222,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1,334.17613,[M+H]+,20.0,test,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1
526223,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1,334.17613,[M+H]+,30.0,test,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1
526224,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1,334.17613,[M+H]+,60.0,test,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1
526225,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1,334.17613,[M+H]+,20.0,test,COC(=O)c1ccc(CN2CCC(c3nnc(C(C)C)o3)CC2)o1
526226,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,334.17613,[M+H]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526227,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,334.17613,[M+H]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526228,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,334.17613,[M+H]+,60.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526229,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,334.17613,[M+H]+,30.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526230,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1,334.17613,[M+H]+,20.0,test,COC(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc2C1
526231,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1,350.17105,[M+H]+,20.0,test,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1
526232,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1,350.17105,[M+H]+,20.0,test,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1
526233,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1,350.17105,[M+H]+,30.0,test,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1
526234,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1,350.17105,[M+H]+,60.0,test,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1
526235,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1,350.17105,[M+H]+,15.0,test,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1
526236,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1,350.17105,[M+H]+,20.0,test,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1
526237,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1,350.17105,[M+H]+,60.0,test,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1
526238,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1,350.17105,[M+H]+,20.0,test,COC(=O)c1ccccc1N(C)C(=O)CN1CCCC(O)(C(N)=O)C1
526239,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1,298.20262,[M+H]+,20.0,test,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1
526240,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1,298.20262,[M+H]+,20.0,test,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1
526241,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1,298.20262,[M+H]+,30.0,test,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1
526242,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1,298.20262,[M+H]+,60.0,test,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1
526243,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1,298.20262,[M+H]+,15.0,test,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1
526244,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1,298.20262,[M+H]+,20.0,test,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1
526245,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1,298.20262,[M+H]+,60.0,test,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1
526246,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1,298.20262,[M+H]+,20.0,test,CCc1cc(CC)nc(N2CCN(c3ccccn3)CC2)n1
526247,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,392.16072,[M+Cl]-,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526248,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,392.16072,[M+Cl]-,60.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526249,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,392.16072,[M+Cl]-,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526250,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,402.18953,[M+FA]-,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526251,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,402.18953,[M+FA]-,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526252,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,402.18953,[M+FA]-,60.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526253,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,402.18953,[M+FA]-,15.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526254,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,402.18953,[M+FA]-,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526255,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,402.18953,[M+FA]-,60.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526256,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,402.18953,[M+FA]-,15.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526257,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,402.18953,[M+FA]-,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526258,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,402.18953,[M+FA]-,20.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526259,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,402.18953,[M+FA]-,20.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526260,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,402.18953,[M+FA]-,60.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526261,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,402.18953,[M+FA]-,15.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526262,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,402.18953,[M+FA]-,20.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526263,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,358.1986,[M+H]+,20.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526264,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,358.1986,[M+H]+,20.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526265,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,358.1986,[M+H]+,60.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526266,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,358.1986,[M+H]+,30.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526267,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,358.1986,[M+H]+,20.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526268,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,358.1986,[M+H]+,60.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526269,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,358.1986,[M+H]+,30.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526270,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ncncc2)C1,358.1986,[M+H]+,20.0,test,CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1
526271,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,358.1986,[M+H]+,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526272,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,358.1986,[M+H]+,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526273,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,358.1986,[M+H]+,60.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526274,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,358.1986,[M+H]+,30.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526275,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,358.1986,[M+H]+,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526276,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,358.1986,[M+H]+,60.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526277,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,358.1986,[M+H]+,30.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526278,Cc1n[nH]c(C)c1C1CCCN1c1c2ncn(C(CO)CO)c2ncn1,358.1986,[M+H]+,20.0,test,Cc1n[nH]c(C)c1C1CCCN1c1ncnc2c1ncn2C(CO)CO
526279,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1,358.1986,[M+H]+,20.0,test,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1
526280,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1,358.1986,[M+H]+,20.0,test,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1
526281,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1,358.1986,[M+H]+,60.0,test,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1
526282,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1,358.1986,[M+H]+,30.0,test,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1
526283,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1,358.1986,[M+H]+,20.0,test,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1
526284,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1,358.1986,[M+H]+,60.0,test,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1
526285,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1,358.1986,[M+H]+,30.0,test,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1
526286,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1,358.1986,[M+H]+,20.0,test,CN1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1
526287,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,336.1275,[M-H]-,20.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526288,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,336.1275,[M-H]-,20.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526289,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,336.1275,[M-H]-,60.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526290,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,336.1275,[M-H]-,15.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526291,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,336.1275,[M-H]-,20.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526292,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,338.14205,[M+H]+,20.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526293,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,338.14205,[M+H]+,20.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526294,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,338.14205,[M+H]+,60.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526295,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,338.14205,[M+H]+,30.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526296,O=C(O)Cc1cc(S(=O)(=O)N2CCC(C3CCCC3)C2)ccc1,338.14205,[M+H]+,20.0,test,O=C(O)Cc1cccc(S(=O)(=O)N2CCC(C3CCCC3)C2)c1
526297,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1,338.14205,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
526298,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1,338.14205,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
526299,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1,338.14205,[M+H]+,60.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
526300,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1,338.14205,[M+H]+,30.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
526301,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1,338.14205,[M+H]+,20.0,test,CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
526302,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1,338.14205,[M+H]+,30.0,test,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1
526303,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1,338.14205,[M+H]+,30.0,test,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1
526304,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1,338.14205,[M+H]+,20.0,test,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1
526305,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1,338.14205,[M+H]+,60.0,test,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1
526306,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1,338.14205,[M+H]+,30.0,test,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1
526307,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1,338.14205,[M+H]+,20.0,test,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1
526308,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1,338.14205,[M+H]+,60.0,test,CC(C)S(=O)(=O)CC(=O)N1CCOC2(CCc3ccccc32)C1
526309,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1,338.14205,[M+H]+,20.0,test,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1
526310,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1,338.14205,[M+H]+,20.0,test,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1
526311,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1,338.14205,[M+H]+,60.0,test,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1
526312,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1,338.14205,[M+H]+,30.0,test,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1
526313,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1,338.14205,[M+H]+,20.0,test,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1
526314,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1,338.14205,[M+H]+,60.0,test,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1
526315,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1,338.14205,[M+H]+,20.0,test,CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1
526316,COCCN(Cc1cocc1)S(=O)(=O)c1c(C)cc(C)c(C)c1,338.14205,[M+H]+,20.0,test,COCCN(Cc1ccoc1)S(=O)(=O)c1cc(C)c(C)cc1C
526317,COCCN(Cc1cocc1)S(=O)(=O)c1c(C)cc(C)c(C)c1,338.14205,[M+H]+,20.0,test,COCCN(Cc1ccoc1)S(=O)(=O)c1cc(C)c(C)cc1C
526318,COCCN(Cc1cocc1)S(=O)(=O)c1c(C)cc(C)c(C)c1,338.14205,[M+H]+,60.0,test,COCCN(Cc1ccoc1)S(=O)(=O)c1cc(C)c(C)cc1C
526319,COCCN(Cc1cocc1)S(=O)(=O)c1c(C)cc(C)c(C)c1,338.14205,[M+H]+,15.0,test,COCCN(Cc1ccoc1)S(=O)(=O)c1cc(C)c(C)cc1C
526320,COCCN(Cc1cocc1)S(=O)(=O)c1c(C)cc(C)c(C)c1,338.14205,[M+H]+,20.0,test,COCCN(Cc1ccoc1)S(=O)(=O)c1cc(C)c(C)cc1C
526321,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,336.1275,[M-H]-,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526322,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,336.1275,[M-H]-,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526323,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,336.1275,[M-H]-,60.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526324,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,336.1275,[M-H]-,30.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526325,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,336.1275,[M-H]-,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526326,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,336.1275,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526327,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,336.1275,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526328,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,336.1275,[M-H]-,60.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526329,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,336.1275,[M-H]-,30.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526330,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,336.1275,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526331,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,336.1275,[M-H]-,30.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526332,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,336.1275,[M-H]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526333,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,336.1275,[M-H]-,60.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526334,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,372.10418,[M+Cl]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526335,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,372.10418,[M+Cl]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526336,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,372.10418,[M+Cl]-,60.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526337,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C,372.10418,[M+Cl]-,20.0,test,Cc1cc(C)c(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1C
526338,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,320.13149,[M+H-H2O]+,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526339,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,320.13149,[M+H-H2O]+,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526340,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,320.13149,[M+H-H2O]+,60.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526341,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,320.13149,[M+H-H2O]+,30.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526342,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,320.13149,[M+H-H2O]+,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526343,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526344,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526345,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,60.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526346,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,30.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526347,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,20.0,test,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1
526348,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,20.0,test,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1
526349,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,20.0,test,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1
526350,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,60.0,test,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1
526351,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,30.0,test,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1
526352,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1,338.14205,[M+H]+,20.0,test,CCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1
526353,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,368.13509,[M-H]-,20.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526354,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,368.13509,[M-H]-,20.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526355,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,368.13509,[M-H]-,60.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526356,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,368.13509,[M-H]-,15.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526357,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,368.13509,[M-H]-,20.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526358,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,368.13509,[M-H]-,20.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526359,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,368.13509,[M-H]-,20.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526360,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,368.13509,[M-H]-,60.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526361,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,368.13509,[M-H]-,15.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526362,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,368.13509,[M-H]-,20.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526363,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,368.13509,[M-H]-,60.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526364,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,368.13509,[M-H]-,20.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526365,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,370.14964,[M+H]+,20.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526366,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,370.14964,[M+H]+,20.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526367,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,370.14964,[M+H]+,60.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526368,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,370.14964,[M+H]+,15.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526369,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O,370.14964,[M+H]+,20.0,test,C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
526370,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,370.14964,[M+H]+,20.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526371,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,370.14964,[M+H]+,20.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526372,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,370.14964,[M+H]+,60.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526373,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,370.14964,[M+H]+,15.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526374,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,370.14964,[M+H]+,20.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526375,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,370.14964,[M+H]+,60.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526376,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,370.14964,[M+H]+,15.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526377,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O,370.14964,[M+H]+,20.0,test,CC(O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)C(C)O
526378,CN(C(=O)Cc1c(Cl)sc(Cl)c1)C1CCCCC1N1CCCC1,375.10592,[M+H]+,20.0,test,CN(C(=O)Cc1cc(Cl)sc1Cl)C1CCCCC1N1CCCC1
526379,CN(C(=O)Cc1c(Cl)sc(Cl)c1)C1CCCCC1N1CCCC1,375.10592,[M+H]+,20.0,test,CN(C(=O)Cc1cc(Cl)sc1Cl)C1CCCCC1N1CCCC1
526380,CN(C(=O)Cc1c(Cl)sc(Cl)c1)C1CCCCC1N1CCCC1,375.10592,[M+H]+,60.0,test,CN(C(=O)Cc1cc(Cl)sc1Cl)C1CCCCC1N1CCCC1
526381,CN(C(=O)Cc1c(Cl)sc(Cl)c1)C1CCCCC1N1CCCC1,375.10592,[M+H]+,30.0,test,CN(C(=O)Cc1cc(Cl)sc1Cl)C1CCCCC1N1CCCC1
526382,CN(C(=O)Cc1c(Cl)sc(Cl)c1)C1CCCCC1N1CCCC1,375.10592,[M+H]+,20.0,test,CN(C(=O)Cc1cc(Cl)sc1Cl)C1CCCCC1N1CCCC1
526383,CN(C(=O)Cc1c(Cl)sc(Cl)c1)C1CCCCC1N1CCCC1,375.10592,[M+H]+,60.0,test,CN(C(=O)Cc1cc(Cl)sc1Cl)C1CCCCC1N1CCCC1
526384,CN(C(=O)Cc1c(Cl)sc(Cl)c1)C1CCCCC1N1CCCC1,375.10592,[M+H]+,30.0,test,CN(C(=O)Cc1cc(Cl)sc1Cl)C1CCCCC1N1CCCC1
526385,CN(C(=O)Cc1c(Cl)sc(Cl)c1)C1CCCCC1N1CCCC1,375.10592,[M+H]+,20.0,test,CN(C(=O)Cc1cc(Cl)sc1Cl)C1CCCCC1N1CCCC1
526386,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,347.15472,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526387,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,347.15472,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526388,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,347.15472,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526389,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,347.15472,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526390,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,347.15472,[M-H]-,45.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526391,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,347.15472,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526392,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,347.15472,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526393,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,347.15472,[M-H]-,45.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526394,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,393.1602,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526395,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,393.1602,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526396,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,393.1602,[M+FA]-,60.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526397,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,393.1602,[M+FA]-,15.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526398,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,393.1602,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526399,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,349.16927,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526400,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,349.16927,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526401,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,349.16927,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526402,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,349.16927,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526403,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,349.16927,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526404,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,349.16927,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526405,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,349.16927,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526406,Cc1c(N(C)C)cc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1,349.16927,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)NC2CC(Cn3cccn3)C2)cc1N(C)C
526407,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1,349.16927,[M+H]+,20.0,test,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1
526408,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1,349.16927,[M+H]+,20.0,test,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1
526409,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1,349.16927,[M+H]+,60.0,test,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1
526410,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1,349.16927,[M+H]+,20.0,test,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1
526411,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1,349.16927,[M+H]+,45.0,test,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1
526412,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1,349.16927,[M+H]+,60.0,test,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1
526413,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1,349.16927,[M+H]+,20.0,test,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1
526414,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1,349.16927,[M+H]+,45.0,test,CC(C)n1cc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cn1
526415,Cc1c(N(C)C)cc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1,349.16927,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1N(C)C
526416,Cc1c(N(C)C)cc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1,349.16927,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1N(C)C
526417,Cc1c(N(C)C)cc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1,349.16927,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1N(C)C
526418,Cc1c(N(C)C)cc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1,349.16927,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1N(C)C
526419,Cc1c(N(C)C)cc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1,349.16927,[M+H]+,45.0,test,Cc1ccc(S(=O)(=O)N2CCC(c3nccn3C)C2)cc1N(C)C
526420,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1,349.16927,[M+H]+,20.0,test,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1
526421,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1,349.16927,[M+H]+,20.0,test,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1
526422,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1,349.16927,[M+H]+,60.0,test,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1
526423,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1,349.16927,[M+H]+,20.0,test,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1
526424,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1,349.16927,[M+H]+,60.0,test,CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CCCO3)CC2)n1
526425,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526426,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526427,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526428,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526429,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,45.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526430,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526431,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526432,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,45.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526433,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,347.15472,[M-H]-,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526434,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,347.15472,[M-H]-,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526435,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,347.15472,[M-H]-,60.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526436,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,347.15472,[M-H]-,30.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526437,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,347.15472,[M-H]-,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526438,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,393.1602,[M+FA]-,20.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526439,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,393.1602,[M+FA]-,20.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526440,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,393.1602,[M+FA]-,60.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526441,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,393.1602,[M+FA]-,15.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526442,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,393.1602,[M+FA]-,20.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526443,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,347.15472,[M-H]-,20.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526444,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,347.15472,[M-H]-,20.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526445,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,347.15472,[M-H]-,45.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526446,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,347.15472,[M-H]-,60.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526447,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,347.15472,[M-H]-,20.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526448,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,347.15472,[M-H]-,45.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526449,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,347.15472,[M-H]-,60.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526450,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,347.15472,[M-H]-,20.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526451,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526452,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526453,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,30.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526454,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526455,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526456,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,45.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526457,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,60.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526458,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C,349.16927,[M+H]+,20.0,test,Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
526459,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1,349.16927,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1
526460,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1,349.16927,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1
526461,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1,349.16927,[M+H]+,30.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1
526462,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1,349.16927,[M+H]+,60.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1
526463,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1,349.16927,[M+H]+,20.0,test,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1
526464,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,349.16927,[M+H]+,20.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526465,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,349.16927,[M+H]+,20.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526466,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,349.16927,[M+H]+,60.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526467,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,349.16927,[M+H]+,30.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526468,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1,349.16927,[M+H]+,20.0,test,CC(C)Cc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1
526469,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,349.16927,[M+H]+,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526470,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,349.16927,[M+H]+,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526471,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,349.16927,[M+H]+,60.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526472,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,349.16927,[M+H]+,15.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526473,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,349.16927,[M+H]+,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526474,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,349.16927,[M+H]+,45.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526475,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,349.16927,[M+H]+,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526476,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,349.16927,[M+H]+,60.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526477,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,371.15121,[M+Na]+,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526478,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,371.15121,[M+Na]+,45.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526479,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,371.15121,[M+Na]+,60.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526480,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1,371.15121,[M+Na]+,20.0,test,CCCCS(=O)(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
526481,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,349.16927,[M+H]+,20.0,test,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
526482,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,349.16927,[M+H]+,20.0,test,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
526483,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,349.16927,[M+H]+,60.0,test,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
526484,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,349.16927,[M+H]+,30.0,test,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
526485,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,349.16927,[M+H]+,20.0,test,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
526486,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,349.16927,[M+H]+,30.0,test,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
526487,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,349.16927,[M+H]+,20.0,test,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
526488,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,349.16927,[M+H]+,60.0,test,CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
526489,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,349.16927,[M+H]+,20.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526490,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,349.16927,[M+H]+,20.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526491,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,349.16927,[M+H]+,15.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526492,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,349.16927,[M+H]+,60.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526493,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,349.16927,[M+H]+,20.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526494,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,349.16927,[M+H]+,45.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526495,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,349.16927,[M+H]+,20.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526496,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1,349.16927,[M+H]+,60.0,test,Cn1cccc1C(CNC(=O)NCc1cccs1)N1CCOCC1
526497,Cc1cnc(N2CCN(c3nc(C(C)C)nc(C)c3)CC2)nc1,313.21352,[M+H]+,20.0,test,Cc1cnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1
526498,Cc1cnc(N2CCN(c3nc(C(C)C)nc(C)c3)CC2)nc1,313.21352,[M+H]+,20.0,test,Cc1cnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1
526499,Cc1cnc(N2CCN(c3nc(C(C)C)nc(C)c3)CC2)nc1,313.21352,[M+H]+,60.0,test,Cc1cnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1
526500,Cc1cnc(N2CCN(c3nc(C(C)C)nc(C)c3)CC2)nc1,313.21352,[M+H]+,20.0,test,Cc1cnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1
526501,Cc1cnc(N2CCN(c3nc(C(C)C)nc(C)c3)CC2)nc1,313.21352,[M+H]+,45.0,test,Cc1cnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1
526502,Cc1cnc(N2CCN(c3nc(C(C)C)nc(C)c3)CC2)nc1,313.21352,[M+H]+,60.0,test,Cc1cnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1
526503,Cc1cnc(N2CCN(c3nc(C(C)C)nc(C)c3)CC2)nc1,313.21352,[M+H]+,20.0,test,Cc1cnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1
526504,Cc1cnc(N2CCN(c3nc(C(C)C)nc(C)c3)CC2)nc1,313.21352,[M+H]+,45.0,test,Cc1cnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1
526505,Cc1nn(-c2nnc(NC3CCN(C4CC4)CC3)cc2)c(C)c1,313.21352,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1
526506,Cc1nn(-c2nnc(NC3CCN(C4CC4)CC3)cc2)c(C)c1,313.21352,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1
526507,Cc1nn(-c2nnc(NC3CCN(C4CC4)CC3)cc2)c(C)c1,313.21352,[M+H]+,30.0,test,Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1
526508,Cc1nn(-c2nnc(NC3CCN(C4CC4)CC3)cc2)c(C)c1,313.21352,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1
526509,Cc1nn(-c2nnc(NC3CCN(C4CC4)CC3)cc2)c(C)c1,313.21352,[M+H]+,15.0,test,Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1
526510,Cc1nn(-c2nnc(NC3CCN(C4CC4)CC3)cc2)c(C)c1,313.21352,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1
526511,Cc1nn(-c2nnc(NC3CCN(C4CC4)CC3)cc2)c(C)c1,313.21352,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1
526512,Cc1nn(-c2nnc(NC3CCN(C4CC4)CC3)cc2)c(C)c1,313.21352,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1
526513,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1,313.21352,[M+H]+,20.0,test,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1
526514,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1,313.21352,[M+H]+,20.0,test,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1
526515,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1,313.21352,[M+H]+,45.0,test,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1
526516,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1,313.21352,[M+H]+,60.0,test,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1
526517,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1,313.21352,[M+H]+,20.0,test,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1
526518,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1,313.21352,[M+H]+,60.0,test,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1
526519,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1,313.21352,[M+H]+,45.0,test,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1
526520,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1,313.21352,[M+H]+,20.0,test,Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N(C)C)n1
526521,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,307.15717,[M+H-H2O]+,30.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526522,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,307.15717,[M+H-H2O]+,30.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526523,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,307.15717,[M+H-H2O]+,20.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526524,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,307.15717,[M+H-H2O]+,60.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526525,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,307.15717,[M+H-H2O]+,30.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526526,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,325.16773,[M+H]+,20.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526527,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,325.16773,[M+H]+,20.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526528,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,325.16773,[M+H]+,15.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526529,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,325.16773,[M+H]+,60.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526530,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,325.16773,[M+H]+,20.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526531,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,325.16773,[M+H]+,45.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526532,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,325.16773,[M+H]+,60.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526533,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1,325.16773,[M+H]+,20.0,test,CC(C)CNC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
526534,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2c1cc(F)cc2,357.16427,[M+H]+,20.0,test,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21
526535,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2c1cc(F)cc2,357.16427,[M+H]+,20.0,test,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21
526536,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2c1cc(F)cc2,357.16427,[M+H]+,60.0,test,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21
526537,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2c1cc(F)cc2,357.16427,[M+H]+,30.0,test,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21
526538,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2c1cc(F)cc2,357.16427,[M+H]+,20.0,test,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21
526539,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2c1cc(F)cc2,357.16427,[M+H]+,60.0,test,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21
526540,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2c1cc(F)cc2,357.16427,[M+H]+,30.0,test,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21
526541,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2c1cc(F)cc2,357.16427,[M+H]+,20.0,test,O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21
526542,CC1CN(C(=O)N[C@@H](C)c2cc(F)cnc2)CC1N1CCOCC1,337.20343,[M+H]+,20.0,test,CC1CN(C(=O)N[C@@H](C)c2cncc(F)c2)CC1N1CCOCC1
526543,CC1CN(C(=O)N[C@@H](C)c2cc(F)cnc2)CC1N1CCOCC1,337.20343,[M+H]+,20.0,test,CC1CN(C(=O)N[C@@H](C)c2cncc(F)c2)CC1N1CCOCC1
526544,CC1CN(C(=O)N[C@@H](C)c2cc(F)cnc2)CC1N1CCOCC1,337.20343,[M+H]+,60.0,test,CC1CN(C(=O)N[C@@H](C)c2cncc(F)c2)CC1N1CCOCC1
526545,CC1CN(C(=O)N[C@@H](C)c2cc(F)cnc2)CC1N1CCOCC1,337.20343,[M+H]+,30.0,test,CC1CN(C(=O)N[C@@H](C)c2cncc(F)c2)CC1N1CCOCC1
526546,CC1CN(C(=O)N[C@@H](C)c2cc(F)cnc2)CC1N1CCOCC1,337.20343,[M+H]+,20.0,test,CC1CN(C(=O)N[C@@H](C)c2cncc(F)c2)CC1N1CCOCC1
526547,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,382.14422,[M-H]-,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526548,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,382.14422,[M-H]-,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526549,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,382.14422,[M-H]-,60.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526550,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,382.14422,[M-H]-,15.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526551,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,382.14422,[M-H]-,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526552,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,428.14969,[M+FA]-,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526553,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,428.14969,[M+FA]-,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526554,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,428.14969,[M+FA]-,60.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526555,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,428.14969,[M+FA]-,15.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526556,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,428.14969,[M+FA]-,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526557,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,428.14969,[M+FA]-,60.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526558,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,428.14969,[M+FA]-,15.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526559,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,428.14969,[M+FA]-,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526560,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,384.15877,[M+H]+,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526561,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,384.15877,[M+H]+,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526562,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,384.15877,[M+H]+,60.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526563,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,384.15877,[M+H]+,30.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526564,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,384.15877,[M+H]+,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526565,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,384.15877,[M+H]+,60.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526566,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,384.15877,[M+H]+,30.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526567,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1,384.15877,[M+H]+,20.0,test,O=C(NCCN1CCS(=O)(=O)CC1)C1CCCCN1C(=O)c1ccco1
526568,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,382.14422,[M-H]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526569,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,382.14422,[M-H]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526570,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,382.14422,[M-H]-,60.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526571,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,382.14422,[M-H]-,30.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526572,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,382.14422,[M-H]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526573,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,418.12089,[M+Cl]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526574,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,418.12089,[M+Cl]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526575,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,418.12089,[M+Cl]-,60.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526576,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,418.12089,[M+Cl]-,15.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526577,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,418.12089,[M+Cl]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526578,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,428.14969,[M+FA]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526579,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,428.14969,[M+FA]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526580,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,428.14969,[M+FA]-,60.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526581,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,428.14969,[M+FA]-,15.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526582,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,428.14969,[M+FA]-,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526583,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,384.15877,[M+H]+,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526584,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,384.15877,[M+H]+,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526585,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,384.15877,[M+H]+,60.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526586,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,384.15877,[M+H]+,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526587,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,384.15877,[M+H]+,45.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526588,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,384.15877,[M+H]+,60.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526589,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,384.15877,[M+H]+,20.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526590,C=CCN1CCCC1CNC(=O)c1c(OC)c(OC)cc(S(N)(=O)=O)c1,384.15877,[M+H]+,45.0,test,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
526591,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1,384.15877,[M+H]+,20.0,test,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1
526592,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1,384.15877,[M+H]+,20.0,test,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1
526593,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1,384.15877,[M+H]+,60.0,test,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1
526594,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1,384.15877,[M+H]+,20.0,test,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1
526595,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1,384.15877,[M+H]+,45.0,test,Cc1noc(C)c1S(=O)(=O)N1C2CCC1CC1(C2)CN(C)C(=O)C(C)O1
526596,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,382.14422,[M-H]-,20.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526597,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,382.14422,[M-H]-,20.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526598,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,382.14422,[M-H]-,45.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526599,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,382.14422,[M-H]-,60.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526600,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,382.14422,[M-H]-,20.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526601,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,384.15877,[M+H]+,20.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526602,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,384.15877,[M+H]+,20.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526603,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,384.15877,[M+H]+,45.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526604,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,384.15877,[M+H]+,60.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526605,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,384.15877,[M+H]+,20.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526606,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,384.15877,[M+H]+,45.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526607,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,384.15877,[M+H]+,60.0,test,COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1
526608,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1,348.18526,[M+H]+,20.0,test,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1
526609,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1,348.18526,[M+H]+,20.0,test,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1
526610,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1,348.18526,[M+H]+,30.0,test,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1
526611,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1,348.18526,[M+H]+,60.0,test,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1
526612,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1,348.18526,[M+H]+,15.0,test,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1
526613,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1,348.18526,[M+H]+,20.0,test,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1
526614,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1,348.18526,[M+H]+,60.0,test,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1
526615,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1,348.18526,[M+H]+,20.0,test,CC(C)(C)n1cncc1C1CCCN(C(=O)NCc2nccs2)C1
526616,CCc1nc(CN2CCN(C(=O)c3c(C)n(C)nc3C)CC2)cs1,348.18526,[M+H]+,20.0,test,CCc1nc(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cs1
526617,CCc1nc(CN2CCN(C(=O)c3c(C)n(C)nc3C)CC2)cs1,348.18526,[M+H]+,20.0,test,CCc1nc(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cs1
526618,CCc1nc(CN2CCN(C(=O)c3c(C)n(C)nc3C)CC2)cs1,348.18526,[M+H]+,60.0,test,CCc1nc(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cs1
526619,CCc1nc(CN2CCN(C(=O)c3c(C)n(C)nc3C)CC2)cs1,348.18526,[M+H]+,30.0,test,CCc1nc(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cs1
526620,CCc1nc(CN2CCN(C(=O)c3c(C)n(C)nc3C)CC2)cs1,348.18526,[M+H]+,20.0,test,CCc1nc(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cs1
526621,CCc1nc(CN2CCN(C(=O)c3c(C)n(C)nc3C)CC2)cs1,348.18526,[M+H]+,60.0,test,CCc1nc(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cs1
526622,CCc1nc(CN2CCN(C(=O)c3c(C)n(C)nc3C)CC2)cs1,348.18526,[M+H]+,30.0,test,CCc1nc(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cs1
526623,CCc1nc(CN2CCN(C(=O)c3c(C)n(C)nc3C)CC2)cs1,348.18526,[M+H]+,20.0,test,CCc1nc(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cs1
526624,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,346.1707,[M-H]-,30.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526625,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,346.1707,[M-H]-,30.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526626,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,346.1707,[M-H]-,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526627,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,346.1707,[M-H]-,60.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526628,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,346.1707,[M-H]-,30.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526629,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,392.17618,[M+FA]-,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526630,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,392.17618,[M+FA]-,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526631,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,392.17618,[M+FA]-,60.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526632,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,392.17618,[M+FA]-,15.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526633,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,392.17618,[M+FA]-,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526634,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,392.17618,[M+FA]-,60.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526635,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,392.17618,[M+FA]-,15.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526636,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,392.17618,[M+FA]-,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526637,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,348.18526,[M+H]+,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526638,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,348.18526,[M+H]+,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526639,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,348.18526,[M+H]+,60.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526640,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,348.18526,[M+H]+,30.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526641,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,348.18526,[M+H]+,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526642,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,348.18526,[M+H]+,60.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526643,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,348.18526,[M+H]+,30.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526644,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12,348.18526,[M+H]+,20.0,test,CSCCC(NC(=O)NC1CCCCC1)c1nnc2ccccn12
526645,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,348.18526,[M+H]+,20.0,test,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
526646,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,348.18526,[M+H]+,20.0,test,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
526647,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,348.18526,[M+H]+,45.0,test,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
526648,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,348.18526,[M+H]+,60.0,test,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
526649,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,348.18526,[M+H]+,20.0,test,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
526650,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,348.18526,[M+H]+,45.0,test,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
526651,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,348.18526,[M+H]+,60.0,test,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
526652,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,348.18526,[M+H]+,20.0,test,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
526653,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1,348.18526,[M+H]+,20.0,test,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1
526654,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1,348.18526,[M+H]+,20.0,test,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1
526655,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1,348.18526,[M+H]+,45.0,test,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1
526656,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1,348.18526,[M+H]+,60.0,test,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1
526657,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1,348.18526,[M+H]+,20.0,test,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1
526658,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1,348.18526,[M+H]+,45.0,test,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1
526659,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1,348.18526,[M+H]+,20.0,test,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1
526660,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1,348.18526,[M+H]+,60.0,test,CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1
526661,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F,373.20457,[M+H]+,20.0,test,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
526662,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F,373.20457,[M+H]+,20.0,test,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
526663,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F,373.20457,[M+H]+,60.0,test,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
526664,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F,373.20457,[M+H]+,30.0,test,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
526665,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F,373.20457,[M+H]+,20.0,test,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
526666,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F,373.20457,[M+H]+,60.0,test,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
526667,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F,373.20457,[M+H]+,30.0,test,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
526668,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F,373.20457,[M+H]+,20.0,test,Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
526669,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1,307.20162,[M+H]+,20.0,test,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1
526670,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1,307.20162,[M+H]+,20.0,test,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1
526671,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1,307.20162,[M+H]+,60.0,test,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1
526672,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1,307.20162,[M+H]+,30.0,test,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1
526673,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1,307.20162,[M+H]+,20.0,test,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1
526674,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1,307.20162,[M+H]+,60.0,test,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1
526675,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1,307.20162,[M+H]+,30.0,test,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1
526676,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1,307.20162,[M+H]+,20.0,test,CCc1ccc(C(=O)N2CCN(C)C3(CCOCC3)CC2)o1
526677,COCCN1CCC(NC(=O)Cc2cc(OC)ccc2)CC1,307.20162,[M+H]+,20.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526678,COCCN1CCC(NC(=O)Cc2cc(OC)ccc2)CC1,307.20162,[M+H]+,20.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526679,COCCN1CCC(NC(=O)Cc2cc(OC)ccc2)CC1,307.20162,[M+H]+,60.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526680,COCCN1CCC(NC(=O)Cc2cc(OC)ccc2)CC1,307.20162,[M+H]+,20.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526681,COCCN1CCC(NC(=O)Cc2cc(OC)ccc2)CC1,307.20162,[M+H]+,45.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526682,COCCN1CCC(NC(=O)Cc2cc(OC)ccc2)CC1,307.20162,[M+H]+,60.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526683,COCCN1CCC(NC(=O)Cc2cc(OC)ccc2)CC1,307.20162,[M+H]+,20.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526684,COCCN1CCC(NC(=O)Cc2cc(OC)ccc2)CC1,307.20162,[M+H]+,45.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526685,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,305.18707,[M-H]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526686,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,305.18707,[M-H]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526687,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,305.18707,[M-H]-,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526688,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,305.18707,[M-H]-,15.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526689,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,305.18707,[M-H]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526690,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,341.16374,[M+Cl]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526691,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,341.16374,[M+Cl]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526692,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,341.16374,[M+Cl]-,30.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526693,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,341.16374,[M+Cl]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526694,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,351.19255,[M+FA]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526695,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,351.19255,[M+FA]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526696,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,351.19255,[M+FA]-,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526697,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,351.19255,[M+FA]-,15.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526698,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,351.19255,[M+FA]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526699,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,351.19255,[M+FA]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526700,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,351.19255,[M+FA]-,15.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526701,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,351.19255,[M+FA]-,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526702,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,307.20162,[M+H]+,20.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526703,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,307.20162,[M+H]+,20.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526704,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,307.20162,[M+H]+,30.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526705,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,307.20162,[M+H]+,60.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526706,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,307.20162,[M+H]+,15.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526707,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,307.20162,[M+H]+,20.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526708,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,307.20162,[M+H]+,20.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526709,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,307.20162,[M+H]+,60.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526710,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,329.18356,[M+Na]+,20.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526711,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,329.18356,[M+Na]+,45.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526712,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,329.18356,[M+Na]+,60.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526713,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1,329.18356,[M+Na]+,20.0,test,COCCNC(=O)NCC1(c2ccc(OC)cc2)CCCC1
526714,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,289.19106,[M+H-H2O]+,20.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526715,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,289.19106,[M+H-H2O]+,20.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526716,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,289.19106,[M+H-H2O]+,60.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526717,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,289.19106,[M+H-H2O]+,30.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526718,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,289.19106,[M+H-H2O]+,20.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526719,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,307.20162,[M+H]+,20.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526720,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,307.20162,[M+H]+,20.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526721,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,307.20162,[M+H]+,60.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526722,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,307.20162,[M+H]+,30.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526723,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,307.20162,[M+H]+,20.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526724,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,307.20162,[M+H]+,30.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526725,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,307.20162,[M+H]+,60.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526726,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1,307.20162,[M+H]+,20.0,test,O=C(C1CCCCC1)N1CCN(CC(O)c2ccco2)CC1
526727,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,289.19106,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526728,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,289.19106,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526729,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,289.19106,[M+H-H2O]+,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526730,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,289.19106,[M+H-H2O]+,30.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526731,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,289.19106,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526732,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,307.20162,[M+H]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526733,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,307.20162,[M+H]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526734,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,307.20162,[M+H]+,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526735,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,307.20162,[M+H]+,15.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526736,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1,307.20162,[M+H]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1
526737,CCOCCOc1ccccc1NC(=O)NC1CCCCC1,307.20162,[M+H]+,20.0,test,CCOCCOc1ccccc1NC(=O)NC1CCCCC1
526738,CCOCCOc1ccccc1NC(=O)NC1CCCCC1,307.20162,[M+H]+,20.0,test,CCOCCOc1ccccc1NC(=O)NC1CCCCC1
526739,CCOCCOc1ccccc1NC(=O)NC1CCCCC1,307.20162,[M+H]+,60.0,test,CCOCCOc1ccccc1NC(=O)NC1CCCCC1
526740,CCOCCOc1ccccc1NC(=O)NC1CCCCC1,307.20162,[M+H]+,15.0,test,CCOCCOc1ccccc1NC(=O)NC1CCCCC1
526741,CCOCCOc1ccccc1NC(=O)NC1CCCCC1,307.20162,[M+H]+,20.0,test,CCOCCOc1ccccc1NC(=O)NC1CCCCC1
526742,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C,307.20162,[M+H]+,20.0,test,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C
526743,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C,307.20162,[M+H]+,20.0,test,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C
526744,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C,307.20162,[M+H]+,60.0,test,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C
526745,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C,307.20162,[M+H]+,30.0,test,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C
526746,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C,307.20162,[M+H]+,20.0,test,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C
526747,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C,307.20162,[M+H]+,30.0,test,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C
526748,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C,307.20162,[M+H]+,20.0,test,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C
526749,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C,307.20162,[M+H]+,60.0,test,COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C
526750,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1,307.20162,[M+H]+,20.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526751,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1,307.20162,[M+H]+,20.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526752,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1,307.20162,[M+H]+,45.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526753,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1,307.20162,[M+H]+,60.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526754,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1,307.20162,[M+H]+,20.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526755,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1,307.20162,[M+H]+,45.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526756,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1,307.20162,[M+H]+,20.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526757,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1,307.20162,[M+H]+,60.0,test,COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1
526758,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O,307.20162,[M+H]+,20.0,test,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O
526759,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O,307.20162,[M+H]+,20.0,test,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O
526760,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O,307.20162,[M+H]+,60.0,test,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O
526761,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O,307.20162,[M+H]+,15.0,test,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O
526762,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O,307.20162,[M+H]+,20.0,test,COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O
526763,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,307.20162,[M+H]+,20.0,test,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
526764,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,307.20162,[M+H]+,20.0,test,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
526765,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,307.20162,[M+H]+,30.0,test,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
526766,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,307.20162,[M+H]+,60.0,test,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
526767,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,307.20162,[M+H]+,15.0,test,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
526768,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,307.20162,[M+H]+,20.0,test,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
526769,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,307.20162,[M+H]+,60.0,test,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
526770,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,307.20162,[M+H]+,20.0,test,Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
526771,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,367.17984,[M+H]+,20.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526772,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,367.17984,[M+H]+,20.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526773,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,367.17984,[M+H]+,60.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526774,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,367.17984,[M+H]+,15.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526775,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,367.17984,[M+H]+,20.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526776,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,367.17984,[M+H]+,60.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526777,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,367.17984,[M+H]+,15.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526778,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,367.17984,[M+H]+,20.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526779,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,389.16178,[M+Na]+,20.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526780,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,389.16178,[M+Na]+,20.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526781,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,389.16178,[M+Na]+,60.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526782,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,389.16178,[M+Na]+,20.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526783,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2nnc(C)cc2)C1,389.16178,[M+Na]+,45.0,test,CSCCC(NC(C)=O)C(=O)N1CCCC(Oc2ccc(C)nn2)C1
526784,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,20.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526785,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,20.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526786,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,60.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526787,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,20.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526788,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,45.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526789,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,20.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526790,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,20.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526791,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,60.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526792,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,20.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526793,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,45.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526794,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,60.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526795,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,20.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526796,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C,367.17984,[M+H]+,45.0,test,CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCC(C)C)c1C
526797,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1,367.17984,[M+H]+,20.0,test,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1
526798,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1,367.17984,[M+H]+,20.0,test,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1
526799,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1,367.17984,[M+H]+,60.0,test,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1
526800,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1,367.17984,[M+H]+,30.0,test,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1
526801,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1,367.17984,[M+H]+,20.0,test,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1
526802,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1,367.17984,[M+H]+,60.0,test,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1
526803,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1,367.17984,[M+H]+,30.0,test,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1
526804,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1,367.17984,[M+H]+,20.0,test,O=C(C1CCCN(Cc2nnc(C3CCOC3)o2)C1)N1CCSCC1
526805,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,336.17512,[M-H]-,20.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526806,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,382.1806,[M+FA]-,20.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526807,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,382.1806,[M+FA]-,20.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526808,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,382.1806,[M+FA]-,60.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526809,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,382.1806,[M+FA]-,15.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526810,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,382.1806,[M+FA]-,20.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526811,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1,338.18967,[M+H]+,20.0,test,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1
526812,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1,338.18967,[M+H]+,20.0,test,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1
526813,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1,338.18967,[M+H]+,60.0,test,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1
526814,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1,338.18967,[M+H]+,30.0,test,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1
526815,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1,338.18967,[M+H]+,20.0,test,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1
526816,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1,338.18967,[M+H]+,60.0,test,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1
526817,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1,338.18967,[M+H]+,30.0,test,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1
526818,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1,338.18967,[M+H]+,20.0,test,CC(C)(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1
526819,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1,338.18967,[M+H]+,20.0,test,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1
526820,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1,338.18967,[M+H]+,20.0,test,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1
526821,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1,338.18967,[M+H]+,60.0,test,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1
526822,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1,338.18967,[M+H]+,30.0,test,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1
526823,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1,338.18967,[M+H]+,20.0,test,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1
526824,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1,338.18967,[M+H]+,60.0,test,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1
526825,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1,338.18967,[M+H]+,30.0,test,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1
526826,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1,338.18967,[M+H]+,20.0,test,O=C(CN1CCOCC1)NCCc1nc(C2CCCCC2)cs1
526827,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,338.18967,[M+H]+,20.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526828,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,338.18967,[M+H]+,20.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526829,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,338.18967,[M+H]+,60.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526830,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,338.18967,[M+H]+,15.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526831,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1,338.18967,[M+H]+,20.0,test,CC(=O)N1CCCN(C(=O)NC(CC(C)C)c2cccs2)CC1
526832,CCSC1CCCCN(C(=O)c2nn(C3CCOCC3)cc2)C1,338.18967,[M+H]+,20.0,test,CCSC1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1
526833,CCSC1CCCCN(C(=O)c2nn(C3CCOCC3)cc2)C1,338.18967,[M+H]+,20.0,test,CCSC1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1
526834,CCSC1CCCCN(C(=O)c2nn(C3CCOCC3)cc2)C1,338.18967,[M+H]+,60.0,test,CCSC1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1
526835,CCSC1CCCCN(C(=O)c2nn(C3CCOCC3)cc2)C1,338.18967,[M+H]+,30.0,test,CCSC1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1
526836,CCSC1CCCCN(C(=O)c2nn(C3CCOCC3)cc2)C1,338.18967,[M+H]+,20.0,test,CCSC1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1
526837,CCSC1CCCCN(C(=O)c2nn(C3CCOCC3)cc2)C1,338.18967,[M+H]+,60.0,test,CCSC1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1
526838,CCSC1CCCCN(C(=O)c2nn(C3CCOCC3)cc2)C1,338.18967,[M+H]+,30.0,test,CCSC1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1
526839,CCSC1CCCCN(C(=O)c2nn(C3CCOCC3)cc2)C1,338.18967,[M+H]+,20.0,test,CCSC1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1
526840,COc1c(C(=O)N2CCN(CC3CCCCN3C)CC2)scc1,338.18967,[M+H]+,20.0,test,COc1ccsc1C(=O)N1CCN(CC2CCCCN2C)CC1
526841,COc1c(C(=O)N2CCN(CC3CCCCN3C)CC2)scc1,338.18967,[M+H]+,20.0,test,COc1ccsc1C(=O)N1CCN(CC2CCCCN2C)CC1
526842,COc1c(C(=O)N2CCN(CC3CCCCN3C)CC2)scc1,338.18967,[M+H]+,60.0,test,COc1ccsc1C(=O)N1CCN(CC2CCCCN2C)CC1
526843,COc1c(C(=O)N2CCN(CC3CCCCN3C)CC2)scc1,338.18967,[M+H]+,30.0,test,COc1ccsc1C(=O)N1CCN(CC2CCCCN2C)CC1
526844,COc1c(C(=O)N2CCN(CC3CCCCN3C)CC2)scc1,338.18967,[M+H]+,20.0,test,COc1ccsc1C(=O)N1CCN(CC2CCCCN2C)CC1
526845,COc1c(C(=O)N2CCN(CC3CCCCN3C)CC2)scc1,338.18967,[M+H]+,60.0,test,COc1ccsc1C(=O)N1CCN(CC2CCCCN2C)CC1
526846,COc1c(C(=O)N2CCN(CC3CCCCN3C)CC2)scc1,338.18967,[M+H]+,30.0,test,COc1ccsc1C(=O)N1CCN(CC2CCCCN2C)CC1
526847,COc1c(C(=O)N2CCN(CC3CCCCN3C)CC2)scc1,338.18967,[M+H]+,20.0,test,COc1ccsc1C(=O)N1CCN(CC2CCCCN2C)CC1
526848,Cc1cn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)nc1,338.18967,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526849,Cc1cn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)nc1,338.18967,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526850,Cc1cn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)nc1,338.18967,[M+H]+,60.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526851,Cc1cn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)nc1,338.18967,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526852,Cc1cn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)nc1,338.18967,[M+H]+,45.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526853,Cc1cn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)nc1,338.18967,[M+H]+,60.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526854,Cc1cn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)nc1,338.18967,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526855,Cc1cn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)nc1,338.18967,[M+H]+,45.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526856,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1,338.18967,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526857,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1,338.18967,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526858,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1,338.18967,[M+H]+,60.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526859,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1,338.18967,[M+H]+,15.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526860,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1,338.18967,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526861,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1,338.18967,[M+H]+,45.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526862,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1,338.18967,[M+H]+,60.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526863,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1,338.18967,[M+H]+,20.0,test,Cc1cnn(C2CC3CCC(C2)N3CC2CCS(=O)(=O)CC2)c1
526864,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526865,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526866,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526867,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526868,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526869,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526870,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526871,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526872,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526873,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526874,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526875,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526876,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,60.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526877,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,15.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526878,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,325.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526879,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,347.19412,[M+Na]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526880,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,347.19412,[M+Na]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526881,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,347.19412,[M+Na]+,60.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526882,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,347.19412,[M+Na]+,30.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526883,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1,347.19412,[M+Na]+,20.0,test,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3COCC3C2)C1
526884,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC,325.21218,[M+H]+,20.0,test,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC
526885,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC,325.21218,[M+H]+,20.0,test,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC
526886,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC,325.21218,[M+H]+,60.0,test,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC
526887,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC,325.21218,[M+H]+,30.0,test,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC
526888,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC,325.21218,[M+H]+,20.0,test,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC
526889,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC,325.21218,[M+H]+,60.0,test,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC
526890,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC,325.21218,[M+H]+,30.0,test,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC
526891,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC,325.21218,[M+H]+,20.0,test,COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC
526892,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1,325.21218,[M+H]+,20.0,test,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1
526893,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1,325.21218,[M+H]+,20.0,test,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1
526894,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1,325.21218,[M+H]+,60.0,test,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1
526895,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1,325.21218,[M+H]+,30.0,test,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1
526896,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1,325.21218,[M+H]+,20.0,test,O=C(NC1CCCCC1)OCC1CN(C2CCCCC2)C(=O)O1
526897,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,347.2201,[M-H]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526898,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,347.2201,[M-H]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526899,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,347.2201,[M-H]-,60.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526900,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,347.2201,[M-H]-,30.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526901,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,347.2201,[M-H]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526902,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,383.19678,[M+Cl]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526903,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,383.19678,[M+Cl]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526904,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,383.19678,[M+Cl]-,60.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526905,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,383.19678,[M+Cl]-,15.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526906,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,383.19678,[M+Cl]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526907,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,393.22558,[M+FA]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526908,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,393.22558,[M+FA]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526909,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,393.22558,[M+FA]-,60.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526910,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,393.22558,[M+FA]-,15.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526911,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,393.22558,[M+FA]-,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526912,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,349.23465,[M+H]+,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526913,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,349.23465,[M+H]+,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526914,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,349.23465,[M+H]+,60.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526915,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,349.23465,[M+H]+,30.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526916,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,349.23465,[M+H]+,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526917,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,349.23465,[M+H]+,60.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526918,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,349.23465,[M+H]+,30.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526919,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1,349.23465,[M+H]+,20.0,test,O=C(NCC1(N2CCOCC2)CCCCC1)N1CCn2cnnc2C1
526920,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,20.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526921,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,20.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526922,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,60.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526923,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,20.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526924,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,45.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526925,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,60.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526926,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,20.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526927,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,45.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526928,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,20.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526929,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,20.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526930,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,60.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526931,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,30.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526932,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,20.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526933,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,347.2201,[M-H]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526934,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,347.2201,[M-H]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526935,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,347.2201,[M-H]-,45.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526936,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,347.2201,[M-H]-,60.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526937,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,347.2201,[M-H]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526938,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,347.2201,[M-H]-,45.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526939,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,347.2201,[M-H]-,60.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526940,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,347.2201,[M-H]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526941,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,383.19678,[M+Cl]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526942,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,383.19678,[M+Cl]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526943,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,383.19678,[M+Cl]-,60.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526944,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,383.19678,[M+Cl]-,15.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526945,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,383.19678,[M+Cl]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526946,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,383.19678,[M+Cl]-,15.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526947,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,383.19678,[M+Cl]-,60.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526948,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,383.19678,[M+Cl]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526949,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,393.22558,[M+FA]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526950,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,393.22558,[M+FA]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526951,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,393.22558,[M+FA]-,60.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526952,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,393.22558,[M+FA]-,15.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526953,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,393.22558,[M+FA]-,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526954,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1,349.23465,[M+H]+,20.0,test,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
526955,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1,349.23465,[M+H]+,20.0,test,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
526956,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1,349.23465,[M+H]+,45.0,test,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
526957,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1,349.23465,[M+H]+,60.0,test,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
526958,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1,349.23465,[M+H]+,20.0,test,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
526959,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1,349.23465,[M+H]+,60.0,test,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
526960,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1,349.23465,[M+H]+,45.0,test,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
526961,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1,349.23465,[M+H]+,20.0,test,Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
526962,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,20.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526963,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,20.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526964,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,60.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526965,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,30.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526966,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,20.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526967,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,30.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526968,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,20.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526969,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C,349.23465,[M+H]+,60.0,test,CCCCCn1nc(C)c(/C=N/NC(=O)CC2NCCNC2=O)c1C
526970,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,349.23465,[M+H]+,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526971,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,349.23465,[M+H]+,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526972,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,349.23465,[M+H]+,30.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526973,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,349.23465,[M+H]+,60.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526974,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,349.23465,[M+H]+,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526975,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,349.23465,[M+H]+,45.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526976,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,349.23465,[M+H]+,20.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526977,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C,349.23465,[M+H]+,60.0,test,CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
526978,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,20.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526979,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,20.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526980,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,45.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526981,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,60.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526982,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,20.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526983,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,45.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526984,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,60.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526985,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1,349.23465,[M+H]+,20.0,test,CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1
526986,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,341.2082,[M-H]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526987,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,341.2082,[M-H]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526988,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,341.2082,[M-H]-,60.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526989,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,341.2082,[M-H]-,30.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526990,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,341.2082,[M-H]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526991,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,341.2082,[M-H]-,30.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526992,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,341.2082,[M-H]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526993,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,377.18487,[M+Cl]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526994,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,377.18487,[M+Cl]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526995,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,377.18487,[M+Cl]-,60.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526996,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,377.18487,[M+Cl]-,15.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526997,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,377.18487,[M+Cl]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526998,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,387.21367,[M+FA]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
526999,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,387.21367,[M+FA]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527000,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,387.21367,[M+FA]-,60.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527001,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,387.21367,[M+FA]-,15.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527002,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,387.21367,[M+FA]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527003,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,387.21367,[M+FA]-,60.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527004,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,387.21367,[M+FA]-,15.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527005,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,387.21367,[M+FA]-,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527006,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,343.22275,[M+H]+,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527007,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,343.22275,[M+H]+,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527008,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,343.22275,[M+H]+,60.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527009,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,343.22275,[M+H]+,30.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527010,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,343.22275,[M+H]+,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527011,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,343.22275,[M+H]+,60.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527012,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,343.22275,[M+H]+,30.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527013,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,343.22275,[M+H]+,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527014,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,365.20469,[M+Na]+,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527015,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,365.20469,[M+Na]+,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527016,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,365.20469,[M+Na]+,30.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527017,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,365.20469,[M+Na]+,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527018,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,365.20469,[M+Na]+,30.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527019,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,365.20469,[M+Na]+,20.0,test,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
527020,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,372.25039,[M+FA]-,20.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527021,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,372.25039,[M+FA]-,15.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527022,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,372.25039,[M+FA]-,20.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527023,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,328.25947,[M+H]+,20.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527024,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,328.25947,[M+H]+,20.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527025,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,328.25947,[M+H]+,60.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527026,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,328.25947,[M+H]+,30.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527027,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,328.25947,[M+H]+,20.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527028,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,328.25947,[M+H]+,60.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527029,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,328.25947,[M+H]+,30.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527030,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1,328.25947,[M+H]+,20.0,test,CC(C)N1CCC(C(=O)NCC(C)(O)CN2CCOCC2)CC1
527031,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,333.05486,[M-H]-,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527032,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,333.05486,[M-H]-,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527033,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,333.05486,[M-H]-,45.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527034,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,333.05486,[M-H]-,60.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527035,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,333.05486,[M-H]-,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527036,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,333.05486,[M-H]-,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527037,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,333.05486,[M-H]-,60.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527038,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,369.03154,[M+Cl]-,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527039,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,369.03154,[M+Cl]-,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527040,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,369.03154,[M+Cl]-,60.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527041,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,335.06941,[M+H]+,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527042,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,335.06941,[M+H]+,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527043,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,335.06941,[M+H]+,60.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527044,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,335.06941,[M+H]+,20.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527045,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1,335.06941,[M+H]+,60.0,test,N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1
527046,O=C(/C=C/c1nc2cc(C(F)(F)F)ccc2cc1)c1ccncc1,329.08962,[M+H]+,20.0,test,O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1
527047,O=C(/C=C/c1nc2cc(C(F)(F)F)ccc2cc1)c1ccncc1,329.08962,[M+H]+,20.0,test,O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1
527048,O=C(/C=C/c1nc2cc(C(F)(F)F)ccc2cc1)c1ccncc1,329.08962,[M+H]+,60.0,test,O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1
527049,O=C(/C=C/c1nc2cc(C(F)(F)F)ccc2cc1)c1ccncc1,329.08962,[M+H]+,20.0,test,O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1
527050,O=C(/C=C/c1nc2cc(C(F)(F)F)ccc2cc1)c1ccncc1,329.08962,[M+H]+,45.0,test,O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1
527051,O=C(/C=C/c1nc2cc(C(F)(F)F)ccc2cc1)c1ccncc1,329.08962,[M+H]+,60.0,test,O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1
527052,O=C(/C=C/c1nc2cc(C(F)(F)F)ccc2cc1)c1ccncc1,329.08962,[M+H]+,20.0,test,O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1
527053,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527054,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527055,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,60.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527056,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527057,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,45.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527058,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527059,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527060,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,60.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527061,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527062,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,45.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527063,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527064,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527065,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,60.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527066,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,15.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527067,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527068,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,60.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527069,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,15.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527070,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,448.98836,[M-H]-,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527071,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527072,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527073,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,60.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527074,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,30.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527075,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527076,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527077,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527078,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,60.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527079,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,30.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527080,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527081,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527082,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527083,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,60.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527084,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,30.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527085,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527086,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527087,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527088,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,60.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527089,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,30.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527090,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2cc(Cl)c(Cl)cc2)cs1,451.00291,[M+H]+,20.0,test,O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
527091,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,415.99358,[M-H]-,20.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527092,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,415.99358,[M-H]-,20.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527093,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,415.99358,[M-H]-,60.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527094,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,415.99358,[M-H]-,15.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527095,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,415.99358,[M-H]-,20.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527096,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,415.99358,[M-H]-,60.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527097,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,415.99358,[M-H]-,15.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527098,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,415.99358,[M-H]-,20.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527099,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,418.00814,[M+H]+,20.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527100,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,418.00814,[M+H]+,20.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527101,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,418.00814,[M+H]+,60.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527102,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,418.00814,[M+H]+,30.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527103,COc1c(Cl)cc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1,418.00814,[M+H]+,20.0,test,COc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl
527104,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,321.06923,[M+H]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
527105,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,321.06923,[M+H]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
527106,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,321.06923,[M+H]+,60.0,test,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
527107,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,321.06923,[M+H]+,30.0,test,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
527108,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,321.06923,[M+H]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
527109,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,321.06923,[M+H]+,60.0,test,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
527110,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,321.06923,[M+H]+,30.0,test,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
527111,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,321.06923,[M+H]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
527112,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,293.08083,[M+H]+,20.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527113,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,293.08083,[M+H]+,20.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527114,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,293.08083,[M+H]+,45.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527115,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,293.08083,[M+H]+,60.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527116,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,293.08083,[M+H]+,20.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527117,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,293.08083,[M+H]+,20.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527118,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,293.08083,[M+H]+,60.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527119,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,293.08083,[M+H]+,45.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527120,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,315.06278,[M+Na]+,20.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527121,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,315.06278,[M+Na]+,20.0,test,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
527122,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,339.05103,[M-H]-,60.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527123,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,339.05103,[M-H]-,60.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527124,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,339.05103,[M-H]-,20.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527125,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,339.05103,[M-H]-,60.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527126,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,339.05103,[M-H]-,60.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527127,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,385.05651,[M+FA]-,30.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527128,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,385.05651,[M+FA]-,30.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527129,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,385.05651,[M+FA]-,60.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527130,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,385.05651,[M+FA]-,20.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527131,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,385.05651,[M+FA]-,30.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527132,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,341.06558,[M+H]+,20.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527133,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,341.06558,[M+H]+,20.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527134,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,341.06558,[M+H]+,60.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527135,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,341.06558,[M+H]+,30.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527136,COc1c2c(=O)c3c(O)cccc3oc2cc2c1[C@]1(O)C=CO[C@@H]1O2,341.06558,[M+H]+,20.0,test,COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O
527137,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,394.05756,[M-H]-,20.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527138,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,394.05756,[M-H]-,20.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527139,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,394.05756,[M-H]-,30.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527140,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,394.05756,[M-H]-,20.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527141,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,396.07211,[M+H]+,20.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527142,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,396.07211,[M+H]+,20.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527143,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,396.07211,[M+H]+,60.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527144,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,396.07211,[M+H]+,20.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527145,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,396.07211,[M+H]+,45.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527146,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,396.07211,[M+H]+,60.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527147,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,396.07211,[M+H]+,20.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527148,COC(=O)C1=C(C)NC(c2c(F)cc(F)cn2)=NC1c1c(Cl)cc(F)cc1,396.07211,[M+H]+,45.0,test,COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=NC1c1ccc(F)cc1Cl
527149,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1,325.08054,[M+H]+,20.0,test,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1
527150,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1,325.08054,[M+H]+,20.0,test,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1
527151,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1,325.08054,[M+H]+,60.0,test,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1
527152,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1,325.08054,[M+H]+,15.0,test,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1
527153,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1,325.08054,[M+H]+,20.0,test,O=C(NC(=S)Nc1ccccc1F)c1ccc2ccccc2c1
527154,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1,325.08054,[M+H]+,20.0,test,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1
527155,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1,325.08054,[M+H]+,20.0,test,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1
527156,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1,325.08054,[M+H]+,60.0,test,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1
527157,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1,325.08054,[M+H]+,30.0,test,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1
527158,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1,325.08054,[M+H]+,20.0,test,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1
527159,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1,325.08054,[M+H]+,60.0,test,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1
527160,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1,325.08054,[M+H]+,30.0,test,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1
527161,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1,325.08054,[M+H]+,20.0,test,O=C1CSC(c2ccc3ccccc3n2)N1c1ccc(F)cc1
527162,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12,325.08054,[M+H]+,20.0,test,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12
527163,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12,325.08054,[M+H]+,20.0,test,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12
527164,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12,325.08054,[M+H]+,30.0,test,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12
527165,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12,325.08054,[M+H]+,60.0,test,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12
527166,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12,325.08054,[M+H]+,20.0,test,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12
527167,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12,325.08054,[M+H]+,45.0,test,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12
527168,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12,325.08054,[M+H]+,60.0,test,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12
527169,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12,325.08054,[M+H]+,20.0,test,N#CCSc1nccc2c(OCc3ccc(F)cc3)cccc12
527170,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,335.09498,[M-H]-,20.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527171,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,335.09498,[M-H]-,20.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527172,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,335.09498,[M-H]-,60.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527173,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,335.09498,[M-H]-,20.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527174,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,335.09498,[M-H]-,45.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527175,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,337.10953,[M+H]+,20.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527176,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,337.10953,[M+H]+,20.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527177,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,337.10953,[M+H]+,60.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527178,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,337.10953,[M+H]+,20.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527179,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,337.10953,[M+H]+,45.0,test,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
527180,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,314.10473,[M-H]-,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527181,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,314.10473,[M-H]-,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527182,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,314.10473,[M-H]-,60.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527183,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,314.10473,[M-H]-,30.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527184,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,314.10473,[M-H]-,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527185,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,360.11021,[M+FA]-,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527186,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,360.11021,[M+FA]-,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527187,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,316.11929,[M+H]+,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527188,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,316.11929,[M+H]+,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527189,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,316.11929,[M+H]+,60.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527190,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,316.11929,[M+H]+,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527191,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,316.11929,[M+H]+,45.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527192,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,316.11929,[M+H]+,60.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527193,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,316.11929,[M+H]+,20.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527194,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1,316.11929,[M+H]+,45.0,test,c1cc(-c2nc(Cn3cnc4ccccc43)no2)c2[nH]ccc2c1
527195,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,314.10473,[M-H]-,20.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527196,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,314.10473,[M-H]-,20.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527197,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,314.10473,[M-H]-,45.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527198,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,314.10473,[M-H]-,60.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527199,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,314.10473,[M-H]-,20.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527200,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,314.10473,[M-H]-,45.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527201,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,314.10473,[M-H]-,60.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527202,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,314.10473,[M-H]-,20.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527203,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,316.11929,[M+H]+,20.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527204,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,316.11929,[M+H]+,20.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527205,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,316.11929,[M+H]+,45.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527206,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,316.11929,[M+H]+,60.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527207,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,316.11929,[M+H]+,20.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527208,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,316.11929,[M+H]+,60.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527209,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1,316.11929,[M+H]+,20.0,test,O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1
527210,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,354.01351,[M-H]-,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527211,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,354.01351,[M-H]-,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527212,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,354.01351,[M-H]-,60.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527213,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,354.01351,[M-H]-,30.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527214,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,354.01351,[M-H]-,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527215,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,356.02807,[M+H]+,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527216,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,356.02807,[M+H]+,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527217,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,356.02807,[M+H]+,60.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527218,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,356.02807,[M+H]+,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527219,O=C(NCc1ccccc1)C1=Cc2c(ccc(Br)c2)OC=C1,356.02807,[M+H]+,45.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527220,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1,400.01899,[M+FA]-,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527221,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1,400.01899,[M+FA]-,15.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527222,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1,400.01899,[M+FA]-,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527223,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1,356.02807,[M+H]+,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527224,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1,356.02807,[M+H]+,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527225,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1,356.02807,[M+H]+,60.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527226,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1,356.02807,[M+H]+,30.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527227,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1,356.02807,[M+H]+,20.0,test,O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
527228,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,359.03596,[M-H]-,20.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527229,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,359.03596,[M-H]-,20.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527230,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,359.03596,[M-H]-,60.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527231,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,359.03596,[M-H]-,15.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527232,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,359.03596,[M-H]-,20.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527233,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,361.05051,[M+H]+,20.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527234,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,361.05051,[M+H]+,20.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527235,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,361.05051,[M+H]+,60.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527236,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,361.05051,[M+H]+,15.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527237,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(Cl)cc2)N1,361.05051,[M+H]+,20.0,test,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1
527238,Cc1c(C(=O)N(C)c2ccc(Cl)cc2)c(-c2ccccc2Cl)no1,361.05051,[M+H]+,20.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1
527239,Cc1c(C(=O)N(C)c2ccc(Cl)cc2)c(-c2ccccc2Cl)no1,361.05051,[M+H]+,20.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1
527240,Cc1c(C(=O)N(C)c2ccc(Cl)cc2)c(-c2ccccc2Cl)no1,361.05051,[M+H]+,60.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1
527241,Cc1c(C(=O)N(C)c2ccc(Cl)cc2)c(-c2ccccc2Cl)no1,361.05051,[M+H]+,30.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1
527242,Cc1c(C(=O)N(C)c2ccc(Cl)cc2)c(-c2ccccc2Cl)no1,361.05051,[M+H]+,20.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1
527243,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1,361.05051,[M+H]+,20.0,test,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1
527244,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1,361.05051,[M+H]+,20.0,test,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1
527245,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1,361.05051,[M+H]+,60.0,test,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1
527246,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1,361.05051,[M+H]+,30.0,test,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1
527247,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1,361.05051,[M+H]+,20.0,test,O=C1CC(N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1
527248,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,435.00909,[M-H]-,20.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527249,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,435.00909,[M-H]-,20.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527250,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,435.00909,[M-H]-,60.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527251,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,435.00909,[M-H]-,15.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527252,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,435.00909,[M-H]-,20.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527253,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,435.00909,[M-H]-,60.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527254,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,435.00909,[M-H]-,15.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527255,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,435.00909,[M-H]-,20.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527256,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,437.02364,[M+H]+,20.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527257,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,437.02364,[M+H]+,20.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527258,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,437.02364,[M+H]+,60.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527259,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,437.02364,[M+H]+,20.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527260,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,437.02364,[M+H]+,45.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527261,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,437.02364,[M+H]+,60.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527262,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,437.02364,[M+H]+,20.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527263,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2)cc1,437.02364,[M+H]+,45.0,test,Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
527264,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,408.04576,[M-H]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527265,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,408.04576,[M-H]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527266,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,408.04576,[M-H]-,60.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527267,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,408.04576,[M-H]-,30.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527268,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,408.04576,[M-H]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527269,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,408.04576,[M-H]-,60.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527270,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,408.04576,[M-H]-,30.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527271,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,408.04576,[M-H]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527272,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,444.02244,[M+Cl]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527273,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,444.02244,[M+Cl]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527274,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,444.02244,[M+Cl]-,60.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527275,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,444.02244,[M+Cl]-,15.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527276,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,444.02244,[M+Cl]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527277,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,454.05124,[M+FA]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527278,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,454.05124,[M+FA]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527279,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,454.05124,[M+FA]-,60.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527280,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,454.05124,[M+FA]-,15.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527281,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,454.05124,[M+FA]-,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527282,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,410.06032,[M+H]+,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527283,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,410.06032,[M+H]+,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527284,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,410.06032,[M+H]+,60.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527285,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,410.06032,[M+H]+,30.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527286,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,410.06032,[M+H]+,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527287,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,410.06032,[M+H]+,60.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527288,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,410.06032,[M+H]+,30.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527289,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1,410.06032,[M+H]+,20.0,test,O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1
527290,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12,340.09144,[M+H]+,20.0,test,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12
527291,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12,340.09144,[M+H]+,20.0,test,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12
527292,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12,340.09144,[M+H]+,60.0,test,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12
527293,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12,340.09144,[M+H]+,20.0,test,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12
527294,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12,340.09144,[M+H]+,60.0,test,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12
527295,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12,340.09144,[M+H]+,20.0,test,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc(F)cc3)cnc12
527296,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,435.02737,[M-H]-,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527297,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,435.02737,[M-H]-,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527298,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,435.02737,[M-H]-,60.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527299,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,435.02737,[M-H]-,15.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527300,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,435.02737,[M-H]-,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527301,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,435.02737,[M-H]-,60.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527302,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,435.02737,[M-H]-,15.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527303,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,435.02737,[M-H]-,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527304,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,471.00405,[M+Cl]-,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527305,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,471.00405,[M+Cl]-,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527306,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,471.00405,[M+Cl]-,60.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527307,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,471.00405,[M+Cl]-,15.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527308,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,471.00405,[M+Cl]-,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527309,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,437.04192,[M+H]+,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527310,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,437.04192,[M+H]+,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527311,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,437.04192,[M+H]+,60.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527312,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,437.04192,[M+H]+,20.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527313,COc1c(-c2c(Br)cnn2C)cc(NC(=O)Nc2c(F)cc(F)cc2)cc1,437.04192,[M+H]+,45.0,test,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
527314,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,440.0227,[M-H]-,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527315,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,440.0227,[M-H]-,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527316,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,440.0227,[M-H]-,45.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527317,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,440.0227,[M-H]-,60.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527318,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,440.0227,[M-H]-,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527319,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,486.02818,[M+FA]-,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527320,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,486.02818,[M+FA]-,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527321,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,486.02818,[M+FA]-,60.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527322,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,486.02818,[M+FA]-,15.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527323,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,486.02818,[M+FA]-,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527324,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,442.03725,[M+H]+,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527325,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,442.03725,[M+H]+,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527326,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,442.03725,[M+H]+,60.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527327,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,442.03725,[M+H]+,30.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527328,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,442.03725,[M+H]+,20.0,test,O=C(Cc1ccccc1Br)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
527329,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,385.00157,[M-H]-,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527330,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,385.00157,[M-H]-,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527331,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,385.00157,[M-H]-,60.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527332,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,385.00157,[M-H]-,30.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527333,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,385.00157,[M-H]-,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527334,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,385.00157,[M-H]-,30.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527335,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,385.00157,[M-H]-,60.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527336,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,385.00157,[M-H]-,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527337,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,431.00705,[M+FA]-,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527338,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,431.00705,[M+FA]-,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527339,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,431.00705,[M+FA]-,60.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527340,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,431.00705,[M+FA]-,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527341,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,387.01612,[M+H]+,45.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527342,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,387.01612,[M+H]+,45.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527343,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,387.01612,[M+H]+,45.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527344,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,387.01612,[M+H]+,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527345,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,387.01612,[M+H]+,60.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527346,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,387.01612,[M+H]+,45.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527347,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,387.01612,[M+H]+,60.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527348,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1,387.01612,[M+H]+,20.0,test,Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1
527349,CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O,346.04071,[M-H]-,20.0,test,CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
527350,CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O,346.04071,[M-H]-,20.0,test,CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
527351,CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O,346.04071,[M-H]-,30.0,test,CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
527352,CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O,346.04071,[M-H]-,20.0,test,CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
527353,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2,328.10113,[M+H]+,20.0,test,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2
527354,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2,328.10113,[M+H]+,20.0,test,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2
527355,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2,328.10113,[M+H]+,45.0,test,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2
527356,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2,328.10113,[M+H]+,60.0,test,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2
527357,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2,328.10113,[M+H]+,20.0,test,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2
527358,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2,328.10113,[M+H]+,45.0,test,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2
527359,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2,328.10113,[M+H]+,60.0,test,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2
527360,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2,328.10113,[M+H]+,20.0,test,Cc1ccc2c(c1)-c1cc(C)nn1C(c1c(F)cccc1Cl)N2
527361,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,309.08002,[M-H]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527362,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,309.08002,[M-H]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527363,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,309.08002,[M-H]-,60.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527364,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,309.08002,[M-H]-,30.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527365,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,309.08002,[M-H]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527366,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,345.05669,[M+Cl]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527367,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,345.05669,[M+Cl]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527368,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,345.05669,[M+Cl]-,15.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527369,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,345.05669,[M+Cl]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527370,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,345.05669,[M+Cl]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527371,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,345.05669,[M+Cl]-,15.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527372,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,355.08549,[M+FA]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527373,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,355.08549,[M+FA]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527374,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,355.08549,[M+FA]-,60.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527375,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,355.08549,[M+FA]-,15.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527376,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,355.08549,[M+FA]-,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527377,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,311.09457,[M+H]+,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527378,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,311.09457,[M+H]+,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527379,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,311.09457,[M+H]+,60.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527380,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,311.09457,[M+H]+,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527381,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,311.09457,[M+H]+,60.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527382,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1,311.09457,[M+H]+,20.0,test,Cc1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2n1
527383,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1,311.09457,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1
527384,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1,311.09457,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1
527385,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1,311.09457,[M+H]+,30.0,test,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1
527386,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1,311.09457,[M+H]+,60.0,test,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1
527387,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1,311.09457,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1
527388,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1,311.09457,[M+H]+,45.0,test,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1
527389,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1,311.09457,[M+H]+,20.0,test,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1
527390,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1,311.09457,[M+H]+,60.0,test,O=C(Nc1ccccc1Cl)C(c1ccccc1)n1cccc1
527391,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,325.07493,[M-H]-,20.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527392,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,325.07493,[M-H]-,20.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527393,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,325.07493,[M-H]-,60.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527394,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,325.07493,[M-H]-,20.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527395,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,325.07493,[M-H]-,45.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527396,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,327.08948,[M+H]+,20.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527397,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,327.08948,[M+H]+,20.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527398,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,327.08948,[M+H]+,60.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527399,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,327.08948,[M+H]+,15.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527400,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,327.08948,[M+H]+,20.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527401,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,327.08948,[M+H]+,45.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527402,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,327.08948,[M+H]+,60.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527403,COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1,327.08948,[M+H]+,20.0,test,COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12
527404,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,325.07493,[M-H]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527405,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,325.07493,[M-H]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527406,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,325.07493,[M-H]-,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527407,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,325.07493,[M-H]-,30.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527408,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,325.07493,[M-H]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527409,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,325.07493,[M-H]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527410,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,325.07493,[M-H]-,30.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527411,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,325.07493,[M-H]-,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527412,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,371.08041,[M+FA]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527413,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,371.08041,[M+FA]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527414,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,371.08041,[M+FA]-,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527415,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,371.08041,[M+FA]-,15.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527416,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1,371.08041,[M+FA]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
527417,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,325.07493,[M-H]-,20.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527418,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,325.07493,[M-H]-,20.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527419,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,325.07493,[M-H]-,60.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527420,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,325.07493,[M-H]-,30.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527421,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,325.07493,[M-H]-,20.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527422,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,371.08041,[M+FA]-,30.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527423,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,371.08041,[M+FA]-,30.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527424,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,371.08041,[M+FA]-,20.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527425,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,371.08041,[M+FA]-,30.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527426,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1,327.08948,[M+H]+,20.0,test,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1
527427,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1,327.08948,[M+H]+,20.0,test,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1
527428,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1,327.08948,[M+H]+,60.0,test,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1
527429,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1,327.08948,[M+H]+,30.0,test,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1
527430,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1,327.08948,[M+H]+,20.0,test,Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1
527431,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl,327.08948,[M+H]+,20.0,test,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl
527432,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl,327.08948,[M+H]+,20.0,test,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl
527433,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl,327.08948,[M+H]+,45.0,test,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl
527434,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl,327.08948,[M+H]+,60.0,test,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl
527435,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl,327.08948,[M+H]+,20.0,test,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl
527436,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl,327.08948,[M+H]+,60.0,test,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl
527437,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl,327.08948,[M+H]+,45.0,test,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl
527438,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl,327.08948,[M+H]+,20.0,test,Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl
527439,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1,327.08948,[M+H]+,20.0,test,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
527440,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1,327.08948,[M+H]+,20.0,test,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
527441,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1,327.08948,[M+H]+,45.0,test,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
527442,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1,327.08948,[M+H]+,60.0,test,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
527443,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1,327.08948,[M+H]+,20.0,test,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
527444,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1,327.08948,[M+H]+,45.0,test,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
527445,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1,327.08948,[M+H]+,60.0,test,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
527446,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1,327.08948,[M+H]+,20.0,test,CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
527447,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1,327.08948,[M+H]+,20.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1
527448,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1,327.08948,[M+H]+,20.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1
527449,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1,327.08948,[M+H]+,60.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1
527450,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1,327.08948,[M+H]+,30.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1
527451,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1,327.08948,[M+H]+,20.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1
527452,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1,327.08948,[M+H]+,30.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1
527453,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1,327.08948,[M+H]+,60.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1
527454,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1,327.08948,[M+H]+,20.0,test,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1
527455,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1,327.08948,[M+H]+,20.0,test,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1
527456,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1,327.08948,[M+H]+,20.0,test,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1
527457,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1,327.08948,[M+H]+,60.0,test,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1
527458,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1,327.08948,[M+H]+,15.0,test,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1
527459,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1,327.08948,[M+H]+,20.0,test,O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccco2)c1
527460,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,326.08166,[M]+,20.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527461,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,326.08166,[M]+,20.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527462,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,326.08166,[M]+,60.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527463,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,326.08166,[M]+,30.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527464,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,326.08166,[M]+,20.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527465,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,327.08948,[M+H]+,20.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527466,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,327.08948,[M+H]+,20.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527467,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,327.08948,[M+H]+,30.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527468,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,327.08948,[M+H]+,60.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527469,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,327.08948,[M+H]+,15.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527470,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,327.08948,[M+H]+,20.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527471,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,327.08948,[M+H]+,60.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527472,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1,327.08948,[M+H]+,20.0,test,O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1
527473,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1,327.08948,[M+H]+,20.0,test,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1
527474,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1,327.08948,[M+H]+,20.0,test,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1
527475,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1,327.08948,[M+H]+,60.0,test,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1
527476,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1,327.08948,[M+H]+,30.0,test,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1
527477,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1,327.08948,[M+H]+,20.0,test,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1
527478,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1,327.08948,[M+H]+,60.0,test,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1
527479,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1,327.08948,[M+H]+,30.0,test,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1
527480,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1,327.08948,[M+H]+,20.0,test,O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1
527481,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12,327.08948,[M+H]+,30.0,test,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12
527482,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12,327.08948,[M+H]+,30.0,test,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12
527483,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12,327.08948,[M+H]+,20.0,test,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12
527484,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12,327.08948,[M+H]+,60.0,test,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12
527485,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12,327.08948,[M+H]+,30.0,test,COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12
527486,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,327.08948,[M+H]+,30.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527487,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,327.08948,[M+H]+,30.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527488,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,327.08948,[M+H]+,20.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527489,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,327.08948,[M+H]+,60.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527490,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1,327.08948,[M+H]+,30.0,test,Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1
527491,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,401.04806,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527492,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,401.04806,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527493,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,401.04806,[M-H]-,60.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527494,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,401.04806,[M-H]-,30.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527495,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,401.04806,[M-H]-,20.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527496,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,403.06261,[M+H]+,20.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527497,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,403.06261,[M+H]+,20.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527498,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,403.06261,[M+H]+,60.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527499,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,403.06261,[M+H]+,15.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527500,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1,403.06261,[M+H]+,20.0,test,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1
527501,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1,417.04298,[M-H]-,20.0,test,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1
527502,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1,417.04298,[M-H]-,20.0,test,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1
527503,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1,417.04298,[M-H]-,60.0,test,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1
527504,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1,417.04298,[M-H]-,15.0,test,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1
527505,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1,417.04298,[M-H]-,20.0,test,COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1
527506,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,346.08964,[M-H]-,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527507,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,346.08964,[M-H]-,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527508,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,346.08964,[M-H]-,60.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527509,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,346.08964,[M-H]-,30.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527510,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,346.08964,[M-H]-,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527511,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,346.08964,[M-H]-,60.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527512,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,346.08964,[M-H]-,30.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527513,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,346.08964,[M-H]-,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527514,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,348.10419,[M+H]+,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527515,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,348.10419,[M+H]+,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527516,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,348.10419,[M+H]+,60.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527517,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,348.10419,[M+H]+,30.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527518,CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C1c1c(F)cc(F)cc1,348.10419,[M+H]+,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527519,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,346.08964,[M-H]-,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527520,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,346.08964,[M-H]-,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527521,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,346.08964,[M-H]-,60.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527522,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,346.08964,[M-H]-,30.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527523,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,346.08964,[M-H]-,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527524,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,348.10419,[M+H]+,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527525,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,348.10419,[M+H]+,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527526,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,348.10419,[M+H]+,60.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527527,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,348.10419,[M+H]+,30.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527528,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F,348.10419,[M+H]+,20.0,test,CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F
527529,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,384.08645,[M-H]-,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527530,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,384.08645,[M-H]-,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527531,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,384.08645,[M-H]-,15.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527532,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,384.08645,[M-H]-,60.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527533,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,384.08645,[M-H]-,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527534,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,430.09192,[M+FA]-,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527535,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,430.09192,[M+FA]-,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527536,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,430.09192,[M+FA]-,60.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527537,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,430.09192,[M+FA]-,15.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527538,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,430.09192,[M+FA]-,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527539,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,386.101,[M+H]+,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527540,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,386.101,[M+H]+,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527541,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,386.101,[M+H]+,60.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527542,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,386.101,[M+H]+,15.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527543,O=C(NCCOCCOC(=O)c1cc(F)c(F)cc1)c1cc(F)c(F)cc1,386.101,[M+H]+,20.0,test,O=C(NCCOCCOC(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
527544,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1,304.10915,[M-H]-,20.0,test,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1
527545,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1,304.10915,[M-H]-,20.0,test,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1
527546,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1,304.10915,[M-H]-,45.0,test,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1
527547,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1,304.10915,[M-H]-,60.0,test,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1
527548,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1,304.10915,[M-H]-,20.0,test,COc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1
527549,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,304.10915,[M-H]-,30.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527550,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,304.10915,[M-H]-,30.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527551,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,304.10915,[M-H]-,20.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527552,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,304.10915,[M-H]-,60.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527553,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,304.10915,[M-H]-,30.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527554,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,304.10915,[M-H]-,20.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527555,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,304.10915,[M-H]-,20.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527556,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,304.10915,[M-H]-,60.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527557,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,304.10915,[M-H]-,30.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527558,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,304.10915,[M-H]-,20.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527559,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,304.10915,[M-H]-,20.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527560,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,304.10915,[M-H]-,30.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527561,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,304.10915,[M-H]-,60.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527562,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,340.08583,[M+Cl]-,15.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527563,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,340.08583,[M+Cl]-,15.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527564,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,340.08583,[M+Cl]-,60.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527565,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,306.1237,[M+H]+,20.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527566,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,306.1237,[M+H]+,20.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527567,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,306.1237,[M+H]+,60.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527568,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,306.1237,[M+H]+,30.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527569,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,306.1237,[M+H]+,20.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527570,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,306.1237,[M+H]+,60.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527571,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,306.1237,[M+H]+,30.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527572,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1,306.1237,[M+H]+,20.0,test,O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1
527573,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,306.1237,[M+H]+,20.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527574,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,306.1237,[M+H]+,20.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527575,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,306.1237,[M+H]+,45.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527576,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,306.1237,[M+H]+,60.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527577,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,306.1237,[M+H]+,20.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527578,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,306.1237,[M+H]+,60.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527579,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,306.1237,[M+H]+,45.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527580,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12,306.1237,[M+H]+,20.0,test,O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
527581,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12,306.1237,[M+H]+,20.0,test,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12
527582,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12,306.1237,[M+H]+,20.0,test,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12
527583,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12,306.1237,[M+H]+,45.0,test,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12
527584,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12,306.1237,[M+H]+,60.0,test,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12
527585,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12,306.1237,[M+H]+,20.0,test,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12
527586,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12,306.1237,[M+H]+,45.0,test,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12
527587,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12,306.1237,[M+H]+,60.0,test,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12
527588,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12,306.1237,[M+H]+,20.0,test,COC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12
527589,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,306.1237,[M+H]+,20.0,test,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
527590,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,306.1237,[M+H]+,20.0,test,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
527591,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,306.1237,[M+H]+,45.0,test,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
527592,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,306.1237,[M+H]+,60.0,test,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
527593,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,306.1237,[M+H]+,20.0,test,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
527594,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,306.1237,[M+H]+,45.0,test,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
527595,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,306.1237,[M+H]+,60.0,test,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
527596,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,306.1237,[M+H]+,20.0,test,Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
527597,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1,306.1237,[M+H]+,20.0,test,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
527598,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1,306.1237,[M+H]+,20.0,test,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
527599,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1,306.1237,[M+H]+,45.0,test,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
527600,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1,306.1237,[M+H]+,60.0,test,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
527601,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1,306.1237,[M+H]+,20.0,test,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
527602,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1,306.1237,[M+H]+,60.0,test,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
527603,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1,306.1237,[M+H]+,45.0,test,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
527604,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1,306.1237,[M+H]+,20.0,test,COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
527605,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1,310.10738,[M+H]+,20.0,test,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1
527606,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1,310.10738,[M+H]+,20.0,test,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1
527607,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1,310.10738,[M+H]+,60.0,test,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1
527608,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1,310.10738,[M+H]+,15.0,test,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1
527609,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1,310.10738,[M+H]+,20.0,test,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1
527610,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,292.09682,[M+H-H2O]+,20.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527611,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,292.09682,[M+H-H2O]+,20.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527612,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,292.09682,[M+H-H2O]+,60.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527613,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,292.09682,[M+H-H2O]+,20.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527614,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,292.09682,[M+H-H2O]+,45.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527615,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,310.10738,[M+H]+,20.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527616,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,310.10738,[M+H]+,20.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527617,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,310.10738,[M+H]+,60.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527618,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,310.10738,[M+H]+,20.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527619,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,310.10738,[M+H]+,45.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527620,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,332.08933,[M+Na]+,20.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527621,CN(Cc1ccccc1)c1cc2c(cc1)cc(C(=O)O)c(=O)o2,332.08933,[M+Na]+,20.0,test,CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1
527622,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,308.09283,[M-H]-,20.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527623,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,308.09283,[M-H]-,20.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527624,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,308.09283,[M-H]-,45.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527625,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,308.09283,[M-H]-,60.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527626,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,308.09283,[M-H]-,20.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527627,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,308.09283,[M-H]-,20.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527628,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,308.09283,[M-H]-,45.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527629,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,308.09283,[M-H]-,60.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527630,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,308.09283,[M-H]-,20.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527631,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,308.09283,[M-H]-,20.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527632,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,308.09283,[M-H]-,45.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527633,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,308.09283,[M-H]-,60.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527634,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,308.09283,[M-H]-,20.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527635,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,308.09283,[M-H]-,60.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527636,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,308.09283,[M-H]-,45.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527637,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,308.09283,[M-H]-,20.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527638,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,308.09283,[M-H]-,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527639,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,308.09283,[M-H]-,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527640,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,308.09283,[M-H]-,45.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527641,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,308.09283,[M-H]-,60.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527642,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,308.09283,[M-H]-,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527643,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,308.09283,[M-H]-,45.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527644,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,308.09283,[M-H]-,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527645,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,308.09283,[M-H]-,60.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527646,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,344.06951,[M+Cl]-,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527647,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,344.06951,[M+Cl]-,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527648,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,344.06951,[M+Cl]-,60.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527649,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O,310.10738,[M+H]+,20.0,test,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O
527650,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O,310.10738,[M+H]+,20.0,test,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O
527651,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O,310.10738,[M+H]+,60.0,test,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O
527652,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O,310.10738,[M+H]+,15.0,test,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O
527653,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O,310.10738,[M+H]+,20.0,test,CCOC(=O)c1cc(Oc2ccccc2)c2ccccn2c1=O
527654,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O,310.10738,[M+H]+,20.0,test,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O
527655,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O,310.10738,[M+H]+,20.0,test,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O
527656,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O,310.10738,[M+H]+,60.0,test,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O
527657,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O,310.10738,[M+H]+,30.0,test,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O
527658,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O,310.10738,[M+H]+,20.0,test,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O
527659,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O,310.10738,[M+H]+,60.0,test,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O
527660,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O,310.10738,[M+H]+,30.0,test,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O
527661,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O,310.10738,[M+H]+,20.0,test,COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O
527662,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,310.10738,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527663,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,310.10738,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527664,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,310.10738,[M+H]+,45.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527665,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,310.10738,[M+H]+,60.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527666,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,310.10738,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527667,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,310.10738,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527668,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,310.10738,[M+H]+,45.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527669,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1,310.10738,[M+H]+,60.0,test,COc1cc(OC)c2c(=O)c(C(=O)c3ccccc3)c[nH]c2c1
527670,COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C,310.10738,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C
527671,COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C,310.10738,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C
527672,COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C,310.10738,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C
527673,COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C,310.10738,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C
527674,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,310.10738,[M+H]+,20.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527675,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,310.10738,[M+H]+,20.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527676,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,310.10738,[M+H]+,60.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527677,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,310.10738,[M+H]+,15.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527678,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC,310.10738,[M+H]+,20.0,test,COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC
527679,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1,310.10738,[M+H]+,20.0,test,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1
527680,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1,310.10738,[M+H]+,20.0,test,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1
527681,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1,310.10738,[M+H]+,30.0,test,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1
527682,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1,310.10738,[M+H]+,60.0,test,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1
527683,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1,310.10738,[M+H]+,15.0,test,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1
527684,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1,310.10738,[M+H]+,20.0,test,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1
527685,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1,310.10738,[M+H]+,60.0,test,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1
527686,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1,310.10738,[M+H]+,20.0,test,COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1
527687,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,310.10738,[M+H]+,20.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527688,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,310.10738,[M+H]+,20.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527689,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,310.10738,[M+H]+,60.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527690,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,310.10738,[M+H]+,15.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527691,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,310.10738,[M+H]+,20.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527692,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,310.10738,[M+H]+,60.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527693,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,310.10738,[M+H]+,20.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527694,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O,310.10738,[M+H]+,15.0,test,CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
527695,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12,310.10738,[M+H]+,20.0,test,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12
527696,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12,310.10738,[M+H]+,20.0,test,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12
527697,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12,310.10738,[M+H]+,60.0,test,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12
527698,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12,310.10738,[M+H]+,20.0,test,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12
527699,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12,310.10738,[M+H]+,60.0,test,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12
527700,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12,310.10738,[M+H]+,20.0,test,COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12
527701,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1,429.042,[M+H]+,20.0,test,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1
527702,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1,429.042,[M+H]+,20.0,test,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1
527703,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1,429.042,[M+H]+,60.0,test,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1
527704,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1,429.042,[M+H]+,30.0,test,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1
527705,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1,429.042,[M+H]+,20.0,test,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1
527706,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1,429.042,[M+H]+,30.0,test,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1
527707,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1,429.042,[M+H]+,60.0,test,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1
527708,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1,429.042,[M+H]+,20.0,test,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc(Br)cn2)C1
527709,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,435.96822,[M-H]-,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527710,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,435.96822,[M-H]-,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527711,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,435.96822,[M-H]-,60.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527712,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,435.96822,[M-H]-,15.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527713,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,435.96822,[M-H]-,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527714,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,481.9737,[M+FA]-,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527715,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,481.9737,[M+FA]-,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527716,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,481.9737,[M+FA]-,60.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527717,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,481.9737,[M+FA]-,15.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527718,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,481.9737,[M+FA]-,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527719,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,419.97221,[M+H-H2O]+,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527720,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,419.97221,[M+H-H2O]+,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527721,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,419.97221,[M+H-H2O]+,60.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527722,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,419.97221,[M+H-H2O]+,30.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527723,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1,419.97221,[M+H-H2O]+,20.0,test,COc1ccc(Br)c(C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
527724,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,467.05306,[M+FA]-,20.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527725,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,467.05306,[M+FA]-,60.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527726,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,467.05306,[M+FA]-,15.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527727,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,467.05306,[M+FA]-,20.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527728,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,20.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527729,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,20.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527730,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,60.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527731,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,30.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527732,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,20.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527733,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,20.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527734,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,20.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527735,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,60.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527736,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,30.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527737,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3c(o2)c(Cl)cc(Cl)c3)CC1,423.06214,[M+H]+,20.0,test,Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1
527738,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,361.07607,[M-H]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527739,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,361.07607,[M-H]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527740,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,361.07607,[M-H]-,15.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527741,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,361.07607,[M-H]-,60.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527742,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,361.07607,[M-H]-,30.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527743,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,361.07607,[M-H]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527744,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,361.07607,[M-H]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527745,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,361.07607,[M-H]-,60.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527746,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,397.05275,[M+Cl]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527747,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,397.05275,[M+Cl]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527748,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,397.05275,[M+Cl]-,60.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527749,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,397.05275,[M+Cl]-,15.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527750,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,397.05275,[M+Cl]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527751,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,397.05275,[M+Cl]-,15.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527752,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,397.05275,[M+Cl]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527753,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,397.05275,[M+Cl]-,60.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527754,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,407.08155,[M+FA]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527755,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,407.08155,[M+FA]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527756,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,407.08155,[M+FA]-,60.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527757,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,407.08155,[M+FA]-,15.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527758,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,407.08155,[M+FA]-,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527759,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,363.09062,[M+H]+,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527760,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,363.09062,[M+H]+,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527761,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,363.09062,[M+H]+,60.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527762,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,363.09062,[M+H]+,15.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527763,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1,363.09062,[M+H]+,20.0,test,COC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)c(Cl)c1
527764,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,368.09198,[M-H]-,20.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527765,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,368.09198,[M-H]-,20.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527766,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,368.09198,[M-H]-,60.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527767,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,368.09198,[M-H]-,30.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527768,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,368.09198,[M-H]-,20.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527769,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,370.10653,[M+H]+,20.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527770,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,370.10653,[M+H]+,20.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527771,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,370.10653,[M+H]+,60.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527772,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,370.10653,[M+H]+,15.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527773,CC(=O)Nc1c(Cl)ccc(NC(=O)Cc2nn(-c3ccccc3)nc2)c1,370.10653,[M+H]+,20.0,test,CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
527774,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,356.08745,[M-H]-,20.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527775,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,356.08745,[M-H]-,60.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527776,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,356.08745,[M-H]-,20.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527777,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,356.08745,[M-H]-,20.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527778,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,358.102,[M+H]+,30.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527779,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,358.102,[M+H]+,30.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527780,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,358.102,[M+H]+,20.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527781,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,358.102,[M+H]+,60.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527782,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,358.102,[M+H]+,30.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527783,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,358.102,[M+H]+,20.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527784,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,358.102,[M+H]+,60.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527785,CCCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3F)cc2)s1,358.102,[M+H]+,30.0,test,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
527786,O=C(COc1ccccc1F)NCCc1ccc(-c2cocc2)s1,346.09077,[M+H]+,20.0,test,O=C(COc1ccccc1F)NCCc1ccc(-c2ccoc2)s1
527787,O=C(COc1ccccc1F)NCCc1ccc(-c2cocc2)s1,346.09077,[M+H]+,20.0,test,O=C(COc1ccccc1F)NCCc1ccc(-c2ccoc2)s1
527788,O=C(COc1ccccc1F)NCCc1ccc(-c2cocc2)s1,346.09077,[M+H]+,60.0,test,O=C(COc1ccccc1F)NCCc1ccc(-c2ccoc2)s1
527789,O=C(COc1ccccc1F)NCCc1ccc(-c2cocc2)s1,346.09077,[M+H]+,30.0,test,O=C(COc1ccccc1F)NCCc1ccc(-c2ccoc2)s1
527790,O=C(COc1ccccc1F)NCCc1ccc(-c2cocc2)s1,346.09077,[M+H]+,20.0,test,O=C(COc1ccccc1F)NCCc1ccc(-c2ccoc2)s1
527791,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,307.09106,[M-H]-,20.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527792,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,307.09106,[M-H]-,20.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527793,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,307.09106,[M-H]-,60.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527794,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,307.09106,[M-H]-,20.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527795,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,307.09106,[M-H]-,45.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527796,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527797,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527798,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,309.10561,[M+H]+,30.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527799,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,309.10561,[M+H]+,60.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527800,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527801,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,309.10561,[M+H]+,45.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527802,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,309.10561,[M+H]+,60.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527803,Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
527804,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,307.09106,[M-H]-,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527805,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,307.09106,[M-H]-,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527806,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,307.09106,[M-H]-,30.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527807,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,307.09106,[M-H]-,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527808,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,353.09654,[M+FA]-,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527809,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,353.09654,[M+FA]-,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527810,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,353.09654,[M+FA]-,60.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527811,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,353.09654,[M+FA]-,15.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527812,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,353.09654,[M+FA]-,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527813,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,353.09654,[M+FA]-,15.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527814,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,353.09654,[M+FA]-,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527815,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,353.09654,[M+FA]-,60.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527816,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,307.09106,[M-H]-,20.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527817,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,307.09106,[M-H]-,20.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527818,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,307.09106,[M-H]-,60.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527819,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,307.09106,[M-H]-,15.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527820,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,307.09106,[M-H]-,20.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527821,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,353.09654,[M+FA]-,20.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527822,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,353.09654,[M+FA]-,20.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527823,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,353.09654,[M+FA]-,60.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527824,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,353.09654,[M+FA]-,15.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527825,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,353.09654,[M+FA]-,20.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527826,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,307.09106,[M-H]-,20.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527827,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,307.09106,[M-H]-,20.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527828,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,307.09106,[M-H]-,60.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527829,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,307.09106,[M-H]-,30.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527830,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,307.09106,[M-H]-,20.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527831,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,307.09106,[M-H]-,20.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527832,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,307.09106,[M-H]-,20.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527833,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,307.09106,[M-H]-,60.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527834,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,307.09106,[M-H]-,20.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527835,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,307.09106,[M-H]-,20.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527836,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,307.09106,[M-H]-,60.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527837,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,307.09106,[M-H]-,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527838,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,307.09106,[M-H]-,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527839,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,307.09106,[M-H]-,60.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527840,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,307.09106,[M-H]-,15.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527841,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,307.09106,[M-H]-,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527842,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,307.09106,[M-H]-,60.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527843,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,307.09106,[M-H]-,15.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527844,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,307.09106,[M-H]-,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527845,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,343.06774,[M+Cl]-,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527846,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,343.06774,[M+Cl]-,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527847,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,343.06774,[M+Cl]-,15.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527848,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,343.06774,[M+Cl]-,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527849,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,307.09106,[M-H]-,20.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527850,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,307.09106,[M-H]-,20.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527851,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,307.09106,[M-H]-,45.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527852,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,307.09106,[M-H]-,60.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527853,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,307.09106,[M-H]-,20.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527854,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,307.09106,[M-H]-,20.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527855,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,307.09106,[M-H]-,20.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527856,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,307.09106,[M-H]-,45.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527857,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,307.09106,[M-H]-,60.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527858,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,307.09106,[M-H]-,20.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527859,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,307.09106,[M-H]-,20.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527860,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,307.09106,[M-H]-,60.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527861,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,307.09106,[M-H]-,30.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527862,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,307.09106,[M-H]-,20.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527863,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,307.09106,[M-H]-,30.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527864,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,307.09106,[M-H]-,20.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527865,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,307.09106,[M-H]-,60.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527866,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1,309.10561,[M+H]+,20.0,test,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1
527867,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1,309.10561,[M+H]+,20.0,test,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1
527868,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1,309.10561,[M+H]+,45.0,test,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1
527869,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1,309.10561,[M+H]+,60.0,test,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1
527870,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1,309.10561,[M+H]+,20.0,test,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1
527871,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1,309.10561,[M+H]+,60.0,test,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1
527872,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1,309.10561,[M+H]+,45.0,test,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1
527873,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1,309.10561,[M+H]+,20.0,test,CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1
527874,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,309.10561,[M+H]+,20.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527875,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,309.10561,[M+H]+,20.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527876,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,309.10561,[M+H]+,60.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527877,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,309.10561,[M+H]+,30.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527878,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,309.10561,[M+H]+,20.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527879,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,309.10561,[M+H]+,20.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527880,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,309.10561,[M+H]+,30.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527881,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1,309.10561,[M+H]+,60.0,test,O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1
527882,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,309.10561,[M+H]+,20.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527883,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,309.10561,[M+H]+,20.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527884,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,309.10561,[M+H]+,60.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527885,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,309.10561,[M+H]+,30.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527886,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1,309.10561,[M+H]+,20.0,test,CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
527887,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2,309.10561,[M+H]+,20.0,test,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2
527888,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2,309.10561,[M+H]+,20.0,test,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2
527889,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2,309.10561,[M+H]+,60.0,test,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2
527890,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2,309.10561,[M+H]+,30.0,test,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2
527891,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2,309.10561,[M+H]+,20.0,test,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2
527892,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2,309.10561,[M+H]+,60.0,test,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2
527893,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2,309.10561,[M+H]+,30.0,test,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2
527894,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2,309.10561,[M+H]+,20.0,test,Cc1ccc2c(c1)N=C1C(CC(=O)N1Cc1ccccc1)S2
527895,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2,309.10561,[M+H]+,20.0,test,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
527896,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2,309.10561,[M+H]+,20.0,test,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
527897,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2,309.10561,[M+H]+,45.0,test,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
527898,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2,309.10561,[M+H]+,60.0,test,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
527899,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2,309.10561,[M+H]+,20.0,test,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
527900,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2,309.10561,[M+H]+,20.0,test,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
527901,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2,309.10561,[M+H]+,45.0,test,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
527902,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2,309.10561,[M+H]+,60.0,test,CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
527903,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1,309.10561,[M+H]+,45.0,test,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
527904,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1,309.10561,[M+H]+,45.0,test,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
527905,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1,309.10561,[M+H]+,45.0,test,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
527906,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1,309.10561,[M+H]+,20.0,test,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
527907,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1,309.10561,[M+H]+,60.0,test,CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
527908,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527909,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527910,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,309.10561,[M+H]+,60.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527911,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,309.10561,[M+H]+,15.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527912,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)c1ccccc1
527913,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527914,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527915,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,309.10561,[M+H]+,45.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527916,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,309.10561,[M+H]+,60.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527917,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527918,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,309.10561,[M+H]+,60.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527919,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,309.10561,[M+H]+,45.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527920,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1
527921,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,309.10561,[M+H]+,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527922,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,309.10561,[M+H]+,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527923,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,309.10561,[M+H]+,60.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527924,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,309.10561,[M+H]+,30.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527925,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1,309.10561,[M+H]+,20.0,test,S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1
527926,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1
527927,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1
527928,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1,309.10561,[M+H]+,45.0,test,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1
527929,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1,309.10561,[M+H]+,60.0,test,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1
527930,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1
527931,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1,309.10561,[M+H]+,20.0,test,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1
527932,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1,309.10561,[M+H]+,20.0,test,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1
527933,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1,309.10561,[M+H]+,60.0,test,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1
527934,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1,309.10561,[M+H]+,30.0,test,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1
527935,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1,309.10561,[M+H]+,20.0,test,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1
527936,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1,309.10561,[M+H]+,60.0,test,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1
527937,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1,309.10561,[M+H]+,30.0,test,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1
527938,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1,309.10561,[M+H]+,20.0,test,O=C(NCCSc1ccccc1)c1ccc2ccccc2n1
527939,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1
527940,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1
527941,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1,309.10561,[M+H]+,60.0,test,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1
527942,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1,309.10561,[M+H]+,30.0,test,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1
527943,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1
527944,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1,309.10561,[M+H]+,60.0,test,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1
527945,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1,309.10561,[M+H]+,30.0,test,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1
527946,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1,309.10561,[M+H]+,20.0,test,CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1
527947,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,309.10561,[M+H]+,20.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527948,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,309.10561,[M+H]+,20.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527949,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,309.10561,[M+H]+,45.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527950,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,309.10561,[M+H]+,60.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527951,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,309.10561,[M+H]+,20.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527952,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,309.10561,[M+H]+,45.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527953,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,309.10561,[M+H]+,60.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527954,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1,309.10561,[M+H]+,20.0,test,Cc1ccc2sc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1
527955,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,309.10561,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527956,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,309.10561,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527957,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,309.10561,[M+H]+,60.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527958,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,309.10561,[M+H]+,30.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527959,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,309.10561,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527960,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,309.10561,[M+H]+,60.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527961,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,309.10561,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527962,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1,309.10561,[M+H]+,30.0,test,O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1
527963,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,309.10561,[M+H]+,20.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527964,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,309.10561,[M+H]+,20.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527965,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,309.10561,[M+H]+,60.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527966,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,309.10561,[M+H]+,30.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527967,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,309.10561,[M+H]+,20.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527968,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,309.10561,[M+H]+,60.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527969,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,309.10561,[M+H]+,20.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527970,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1,309.10561,[M+H]+,30.0,test,Cc1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1
527971,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,309.10561,[M+H]+,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527972,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,309.10561,[M+H]+,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527973,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,309.10561,[M+H]+,60.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527974,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,309.10561,[M+H]+,15.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527975,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1,309.10561,[M+H]+,20.0,test,O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1
527976,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
527977,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
527978,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1,309.10561,[M+H]+,60.0,test,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
527979,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1,309.10561,[M+H]+,30.0,test,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
527980,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
527981,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1,309.10561,[M+H]+,60.0,test,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
527982,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1,309.10561,[M+H]+,30.0,test,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
527983,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1,309.10561,[M+H]+,20.0,test,Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
527984,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,303.12514,[M-H]-,20.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527985,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,303.12514,[M-H]-,20.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527986,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,303.12514,[M-H]-,60.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527987,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,303.12514,[M-H]-,20.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527988,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,303.12514,[M-H]-,45.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527989,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,303.12514,[M-H]-,60.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527990,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,303.12514,[M-H]-,20.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527991,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,303.12514,[M-H]-,45.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527992,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,305.13969,[M+H]+,20.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527993,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,305.13969,[M+H]+,20.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527994,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,305.13969,[M+H]+,60.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527995,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,305.13969,[M+H]+,15.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527996,Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccnn1,305.13969,[M+H]+,20.0,test,Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
527997,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,305.13969,[M+H]+,20.0,test,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
527998,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,305.13969,[M+H]+,20.0,test,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
527999,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,305.13969,[M+H]+,60.0,test,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
528000,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,305.13969,[M+H]+,20.0,test,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
528001,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,305.13969,[M+H]+,45.0,test,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
528002,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,303.12514,[M-H]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528003,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,303.12514,[M-H]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528004,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,303.12514,[M-H]-,60.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528005,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,303.12514,[M-H]-,30.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528006,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,303.12514,[M-H]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528007,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,303.12514,[M-H]-,60.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528008,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,303.12514,[M-H]-,30.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528009,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,303.12514,[M-H]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528010,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,339.10181,[M+Cl]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528011,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,339.10181,[M+Cl]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528012,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,339.10181,[M+Cl]-,60.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528013,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,339.10181,[M+Cl]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528014,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,305.13969,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528015,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,305.13969,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528016,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,305.13969,[M+H]+,60.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528017,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,305.13969,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528018,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,305.13969,[M+H]+,45.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528019,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,305.13969,[M+H]+,60.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528020,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,305.13969,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528021,Cc1cc2cc(C(=O)N/N=C/c3cnccc3)c(C)nc2cc1,305.13969,[M+H]+,45.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528022,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,303.12514,[M-H]-,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528023,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,303.12514,[M-H]-,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528024,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,303.12514,[M-H]-,45.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528025,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,303.12514,[M-H]-,60.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528026,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,303.12514,[M-H]-,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528027,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,303.12514,[M-H]-,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528028,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,303.12514,[M-H]-,45.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528029,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,303.12514,[M-H]-,60.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528030,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,339.10181,[M+Cl]-,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528031,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,339.10181,[M+Cl]-,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528032,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,339.10181,[M+Cl]-,60.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528033,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,339.10181,[M+Cl]-,15.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528034,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,339.10181,[M+Cl]-,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528035,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,303.12514,[M-H]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528036,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,303.12514,[M-H]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528037,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,303.12514,[M-H]-,45.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528038,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,303.12514,[M-H]-,60.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528039,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,303.12514,[M-H]-,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528040,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,303.12514,[M-H]-,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528041,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,303.12514,[M-H]-,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528042,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,303.12514,[M-H]-,60.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528043,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,303.12514,[M-H]-,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528044,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,303.12514,[M-H]-,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528045,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,303.12514,[M-H]-,60.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528046,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,349.13061,[M+FA]-,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528047,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,349.13061,[M+FA]-,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528048,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,349.13061,[M+FA]-,60.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528049,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,349.13061,[M+FA]-,15.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528050,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,349.13061,[M+FA]-,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528051,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,349.13061,[M+FA]-,15.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528052,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,349.13061,[M+FA]-,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528053,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,349.13061,[M+FA]-,60.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528054,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1,305.13969,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1
528055,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1,305.13969,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1
528056,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1,305.13969,[M+H]+,45.0,test,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1
528057,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1,305.13969,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1
528058,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1,305.13969,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1
528059,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1,305.13969,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1
528060,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1,305.13969,[M+H]+,45.0,test,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1
528061,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1,305.13969,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1
528062,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,305.13969,[M+H]+,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528063,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,305.13969,[M+H]+,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528064,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,305.13969,[M+H]+,45.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528065,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,305.13969,[M+H]+,60.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528066,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,305.13969,[M+H]+,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528067,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,305.13969,[M+H]+,60.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528068,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,305.13969,[M+H]+,45.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528069,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21,305.13969,[M+H]+,20.0,test,Cn1cnc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21
528070,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,305.13969,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528071,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,305.13969,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528072,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,305.13969,[M+H]+,45.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528073,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,305.13969,[M+H]+,60.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528074,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,305.13969,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528075,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,305.13969,[M+H]+,60.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528076,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,305.13969,[M+H]+,45.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528077,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1,305.13969,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1
528078,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2,305.13969,[M+H]+,20.0,test,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2
528079,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2,305.13969,[M+H]+,20.0,test,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2
528080,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2,305.13969,[M+H]+,45.0,test,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2
528081,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2,305.13969,[M+H]+,60.0,test,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2
528082,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2,305.13969,[M+H]+,20.0,test,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2
528083,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2,305.13969,[M+H]+,45.0,test,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2
528084,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2,305.13969,[M+H]+,60.0,test,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2
528085,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2,305.13969,[M+H]+,20.0,test,O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2
528086,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,305.13969,[M+H]+,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528087,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,305.13969,[M+H]+,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528088,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,305.13969,[M+H]+,60.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528089,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,305.13969,[M+H]+,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528090,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,305.13969,[M+H]+,60.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528091,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1,305.13969,[M+H]+,20.0,test,O=C(CCc1ccccc1)Nc1cnc(-c2cccnc2)nc1
528092,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21,305.13969,[M+H]+,20.0,test,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21
528093,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21,305.13969,[M+H]+,20.0,test,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21
528094,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21,305.13969,[M+H]+,60.0,test,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21
528095,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21,305.13969,[M+H]+,15.0,test,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21
528096,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21,305.13969,[M+H]+,20.0,test,O=C(c1ccc(Cn2cncn2)cc1)N1CCc2ccccc21
528097,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1,305.13969,[M+H]+,20.0,test,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1
528098,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1,305.13969,[M+H]+,20.0,test,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1
528099,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1,305.13969,[M+H]+,45.0,test,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1
528100,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1,305.13969,[M+H]+,60.0,test,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1
528101,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1,305.13969,[M+H]+,20.0,test,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1
528102,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1,305.13969,[M+H]+,45.0,test,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1
528103,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1,305.13969,[M+H]+,60.0,test,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1
528104,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1,305.13969,[M+H]+,20.0,test,O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1
528105,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1,305.13969,[M+H]+,20.0,test,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1
528106,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1,305.13969,[M+H]+,20.0,test,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1
528107,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1,305.13969,[M+H]+,60.0,test,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1
528108,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1,305.13969,[M+H]+,30.0,test,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1
528109,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1,305.13969,[M+H]+,20.0,test,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1
528110,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1,305.13969,[M+H]+,60.0,test,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1
528111,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1,305.13969,[M+H]+,20.0,test,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1
528112,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1,305.13969,[M+H]+,30.0,test,N#Cc1ccc(N2CCCC(c3nc4ccccc4o3)C2)nc1
528113,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,20.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528114,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,20.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528115,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,60.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528116,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,15.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528117,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,20.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528118,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,315.13637,[M-H]-,20.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528119,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,315.13637,[M-H]-,20.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528120,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,315.13637,[M-H]-,45.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528121,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,315.13637,[M-H]-,60.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528122,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,315.13637,[M-H]-,45.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528123,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,315.13637,[M-H]-,60.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528124,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,361.14185,[M+FA]-,20.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528125,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,361.14185,[M+FA]-,20.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528126,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,361.14185,[M+FA]-,60.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528127,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,361.14185,[M+FA]-,20.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528128,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,361.14185,[M+FA]-,20.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528129,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,361.14185,[M+FA]-,60.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528130,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,361.14185,[M+FA]-,15.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528131,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,361.14185,[M+FA]-,20.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528132,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1,317.15092,[M+H]+,20.0,test,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1
528133,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1,317.15092,[M+H]+,20.0,test,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1
528134,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1,317.15092,[M+H]+,45.0,test,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1
528135,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1,317.15092,[M+H]+,60.0,test,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1
528136,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1,317.15092,[M+H]+,20.0,test,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1
528137,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1,317.15092,[M+H]+,45.0,test,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1
528138,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1,317.15092,[M+H]+,60.0,test,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1
528139,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1,317.15092,[M+H]+,20.0,test,N#Cc1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)n1
528140,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,317.15092,[M+H]+,20.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528141,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,317.15092,[M+H]+,20.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528142,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,317.15092,[M+H]+,45.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528143,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,317.15092,[M+H]+,60.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528144,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,317.15092,[M+H]+,20.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528145,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,317.15092,[M+H]+,45.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528146,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,317.15092,[M+H]+,60.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528147,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1,317.15092,[M+H]+,20.0,test,Cc1nc2ccccc2n1C1CN(c2ncnc3ncccc23)C1
528148,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1,317.15092,[M+H]+,20.0,test,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1
528149,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1,317.15092,[M+H]+,20.0,test,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1
528150,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1,317.15092,[M+H]+,45.0,test,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1
528151,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1,317.15092,[M+H]+,60.0,test,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1
528152,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1,317.15092,[M+H]+,20.0,test,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1
528153,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1,317.15092,[M+H]+,60.0,test,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1
528154,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1,317.15092,[M+H]+,45.0,test,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1
528155,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1,317.15092,[M+H]+,20.0,test,N#Cc1cc2ccccc2nc1N1CCN(c2ccncn2)CC1
528156,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,317.15092,[M+H]+,20.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528157,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,317.15092,[M+H]+,20.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528158,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,317.15092,[M+H]+,60.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528159,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,317.15092,[M+H]+,30.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528160,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,317.15092,[M+H]+,20.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528161,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,317.15092,[M+H]+,45.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528162,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,317.15092,[M+H]+,60.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528163,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,317.15092,[M+H]+,20.0,test,Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1
528164,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,20.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528165,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,20.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528166,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,60.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528167,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,15.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528168,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1,317.15092,[M+H]+,20.0,test,CCn1ccnc(-n2nnc3ccccc32)c1=Nc1ccccc1
528169,COc1ccc(-c2cc(=O)c3c(cc(OC)cc3OC)o2)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
528170,COc1ccc(-c2cc(=O)c3c(cc(OC)cc3OC)o2)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
528171,COc1ccc(-c2cc(=O)c3c(cc(OC)cc3OC)o2)cc1,313.10705,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
528172,COc1ccc(-c2cc(=O)c3c(cc(OC)cc3OC)o2)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
528173,COc1ccc(-c2cc(=O)c3c(cc(OC)cc3OC)o2)cc1,313.10705,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
528174,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,311.0925,[M-H]-,20.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528175,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,311.0925,[M-H]-,20.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528176,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,311.0925,[M-H]-,60.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528177,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,311.0925,[M-H]-,30.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528178,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,311.0925,[M-H]-,20.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528179,COc1ccccc1-c1cc(=O)c2c(ccc(OC)c2OC)o1,313.10705,[M+H]+,20.0,test,COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1
528180,COc1ccccc1-c1cc(=O)c2c(ccc(OC)c2OC)o1,313.10705,[M+H]+,20.0,test,COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1
528181,COc1ccccc1-c1cc(=O)c2c(ccc(OC)c2OC)o1,313.10705,[M+H]+,60.0,test,COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1
528182,COc1ccccc1-c1cc(=O)c2c(ccc(OC)c2OC)o1,313.10705,[M+H]+,20.0,test,COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1
528183,COc1ccccc1-c1cc(=O)c2c(ccc(OC)c2OC)o1,313.10705,[M+H]+,45.0,test,COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1
528184,COc1ccccc1-c1cc(=O)c2c(ccc(OC)c2OC)o1,313.10705,[M+H]+,60.0,test,COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1
528185,COc1ccccc1-c1cc(=O)c2c(ccc(OC)c2OC)o1,313.10705,[M+H]+,20.0,test,COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1
528186,COc1ccccc1-c1cc(=O)c2c(ccc(OC)c2OC)o1,313.10705,[M+H]+,45.0,test,COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1
528187,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528188,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528189,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,313.10705,[M+H]+,60.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528190,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,313.10705,[M+H]+,30.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528191,COc1cc(O)c(C2=CC(=O)OC2Cc2ccc(O)cc2)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1
528192,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,311.0925,[M-H]-,45.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528193,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,311.0925,[M-H]-,45.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528194,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,311.0925,[M-H]-,45.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528195,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,311.0925,[M-H]-,20.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528196,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,313.10705,[M+H]+,20.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528197,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,313.10705,[M+H]+,20.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528198,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,313.10705,[M+H]+,60.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528199,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,313.10705,[M+H]+,15.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528200,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC,313.10705,[M+H]+,20.0,test,COc1ccc(C(=O)CC2OC(=O)c3ccccc32)cc1OC
528201,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12,313.10705,[M+H]+,20.0,test,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12
528202,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12,313.10705,[M+H]+,20.0,test,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12
528203,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12,313.10705,[M+H]+,45.0,test,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12
528204,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12,313.10705,[M+H]+,60.0,test,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12
528205,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12,313.10705,[M+H]+,20.0,test,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12
528206,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12,313.10705,[M+H]+,60.0,test,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12
528207,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12,313.10705,[M+H]+,45.0,test,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12
528208,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12,313.10705,[M+H]+,20.0,test,CCOC(=O)C(C)Oc1ccc2c(c1)oc(=O)c1ccccc12
528209,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1
528210,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1
528211,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1,313.10705,[M+H]+,60.0,test,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1
528212,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1
528213,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1,313.10705,[M+H]+,60.0,test,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1
528214,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1,313.10705,[M+H]+,20.0,test,COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1
528215,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,313.10705,[M+H]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528216,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,313.10705,[M+H]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528217,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,313.10705,[M+H]+,45.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528218,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,313.10705,[M+H]+,60.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528219,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,313.10705,[M+H]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528220,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,313.10705,[M+H]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528221,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,313.10705,[M+H]+,60.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528222,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,313.10705,[M+H]+,45.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528223,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,335.08899,[M+Na]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528224,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,335.08899,[M+Na]+,30.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528225,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC,335.08899,[M+Na]+,20.0,test,COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
528226,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,313.10705,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
528227,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,313.10705,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
528228,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,313.10705,[M+H]+,45.0,test,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
528229,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,313.10705,[M+H]+,60.0,test,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
528230,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,313.10705,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
528231,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,313.10705,[M+H]+,60.0,test,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
528232,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,313.10705,[M+H]+,45.0,test,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
528233,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,313.10705,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
528234,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC,313.10705,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC
528235,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC,313.10705,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC
528236,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC,313.10705,[M+H]+,45.0,test,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC
528237,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC,313.10705,[M+H]+,60.0,test,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC
528238,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC,313.10705,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC
528239,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC,313.10705,[M+H]+,60.0,test,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC
528240,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC,313.10705,[M+H]+,45.0,test,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC
528241,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC,313.10705,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1OC
528242,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,387.03498,[M-H]-,20.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528243,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,387.03498,[M-H]-,20.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528244,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,387.03498,[M-H]-,60.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528245,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,387.03498,[M-H]-,30.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528246,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,387.03498,[M-H]-,20.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528247,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,389.04953,[M+H]+,20.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528248,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,389.04953,[M+H]+,20.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528249,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,389.04953,[M+H]+,60.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528250,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,389.04953,[M+H]+,20.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528251,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,389.04953,[M+H]+,45.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528252,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,389.04953,[M+H]+,60.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528253,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,389.04953,[M+H]+,20.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528254,COc1cc(Nc2c3cc(Br)ccc3ncc2)cc(OC)c1OC,389.04953,[M+H]+,45.0,test,COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
528255,CCn1ccc2c(c(C(=O)NCc3ccccc3Br)c(C)o2)c1=O,389.04953,[M+H]+,20.0,test,CCn1ccc2oc(C)c(C(=O)NCc3ccccc3Br)c2c1=O
528256,CCn1ccc2c(c(C(=O)NCc3ccccc3Br)c(C)o2)c1=O,389.04953,[M+H]+,20.0,test,CCn1ccc2oc(C)c(C(=O)NCc3ccccc3Br)c2c1=O
528257,CCn1ccc2c(c(C(=O)NCc3ccccc3Br)c(C)o2)c1=O,389.04953,[M+H]+,60.0,test,CCn1ccc2oc(C)c(C(=O)NCc3ccccc3Br)c2c1=O
528258,CCn1ccc2c(c(C(=O)NCc3ccccc3Br)c(C)o2)c1=O,389.04953,[M+H]+,30.0,test,CCn1ccc2oc(C)c(C(=O)NCc3ccccc3Br)c2c1=O
528259,CCn1ccc2c(c(C(=O)NCc3ccccc3Br)c(C)o2)c1=O,389.04953,[M+H]+,20.0,test,CCn1ccc2oc(C)c(C(=O)NCc3ccccc3Br)c2c1=O
528260,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1,389.04953,[M+H]+,20.0,test,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1
528261,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1,389.04953,[M+H]+,20.0,test,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1
528262,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1,389.04953,[M+H]+,60.0,test,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1
528263,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1,389.04953,[M+H]+,30.0,test,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1
528264,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1,389.04953,[M+H]+,20.0,test,O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1
528265,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,387.03498,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528266,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,387.03498,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528267,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,387.03498,[M-H]-,60.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528268,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,387.03498,[M-H]-,30.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528269,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,387.03498,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528270,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,423.01166,[M+Cl]-,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528271,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,423.01166,[M+Cl]-,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528272,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,423.01166,[M+Cl]-,60.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528273,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,423.01166,[M+Cl]-,15.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528274,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,423.01166,[M+Cl]-,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528275,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,433.04046,[M+FA]-,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528276,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,433.04046,[M+FA]-,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528277,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,387.03498,[M-H]-,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528278,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,387.03498,[M-H]-,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528279,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,387.03498,[M-H]-,45.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528280,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,387.03498,[M-H]-,60.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528281,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,387.03498,[M-H]-,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528282,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,387.03498,[M-H]-,60.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528283,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,387.03498,[M-H]-,45.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528284,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,387.03498,[M-H]-,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528285,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,433.04046,[M+FA]-,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528286,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,433.04046,[M+FA]-,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528287,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,389.04953,[M+H]+,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528288,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,389.04953,[M+H]+,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528289,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,389.04953,[M+H]+,45.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528290,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,389.04953,[M+H]+,60.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528291,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,389.04953,[M+H]+,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528292,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,389.04953,[M+H]+,45.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528293,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,389.04953,[M+H]+,60.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528294,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O,389.04953,[M+H]+,20.0,test,COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O
528295,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,389.04953,[M+H]+,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528296,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,389.04953,[M+H]+,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528297,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,389.04953,[M+H]+,60.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528298,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,389.04953,[M+H]+,30.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528299,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,389.04953,[M+H]+,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528300,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,389.04953,[M+H]+,60.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528301,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,389.04953,[M+H]+,30.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528302,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1,389.04953,[M+H]+,20.0,test,O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1
528303,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,383.0513,[M-H]-,20.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528304,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,383.0513,[M-H]-,20.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528305,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,383.0513,[M-H]-,60.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528306,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,383.0513,[M-H]-,30.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528307,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,383.0513,[M-H]-,20.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528308,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,383.0513,[M-H]-,60.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528309,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,383.0513,[M-H]-,30.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528310,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,383.0513,[M-H]-,20.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528311,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,385.06585,[M+H]+,20.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528312,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,385.06585,[M+H]+,20.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528313,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,385.06585,[M+H]+,60.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528314,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,385.06585,[M+H]+,30.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528315,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,385.06585,[M+H]+,20.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528316,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,385.06585,[M+H]+,60.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528317,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,385.06585,[M+H]+,30.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528318,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12,385.06585,[M+H]+,20.0,test,CC(Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12
528319,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528320,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528321,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,15.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528322,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528323,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,461.01782,[M+Cl]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528324,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,461.01782,[M+Cl]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528325,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,461.01782,[M+Cl]-,15.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528326,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,461.01782,[M+Cl]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528327,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,471.04662,[M+FA]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528328,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,471.04662,[M+FA]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528329,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,471.04662,[M+FA]-,60.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528330,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,471.04662,[M+FA]-,15.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528331,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,471.04662,[M+FA]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528332,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528333,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528334,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,60.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528335,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,15.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528336,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,425.04114,[M-H]-,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528337,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528338,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528339,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,60.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528340,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,30.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528341,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528342,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528343,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528344,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,60.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528345,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,30.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528346,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528347,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,60.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528348,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,30.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528349,Cn1ncc(Cl)c1-c1c(Cl)sc(C(=O)N[C@H](CN)Cc2cc(F)ccc2)c1,427.05569,[M+H]+,20.0,test,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
528350,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c(Cl)ccc(C(F)(F)F)c1,416.09833,[M+H]+,20.0,test,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
528351,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c(Cl)ccc(C(F)(F)F)c1,416.09833,[M+H]+,20.0,test,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
528352,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c(Cl)ccc(C(F)(F)F)c1,416.09833,[M+H]+,60.0,test,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
528353,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c(Cl)ccc(C(F)(F)F)c1,416.09833,[M+H]+,30.0,test,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
528354,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c(Cl)ccc(C(F)(F)F)c1,416.09833,[M+H]+,20.0,test,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
528355,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F,386.07763,[M-H]-,20.0,test,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F
528356,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F,386.07763,[M-H]-,20.0,test,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F
528357,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F,386.07763,[M-H]-,60.0,test,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F
528358,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F,386.07763,[M-H]-,15.0,test,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F
528359,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F,386.07763,[M-H]-,20.0,test,COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F
528360,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1,318.10555,[M+H]+,20.0,test,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
528361,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1,318.10555,[M+H]+,20.0,test,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
528362,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1,318.10555,[M+H]+,60.0,test,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
528363,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1,318.10555,[M+H]+,30.0,test,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
528364,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1,318.10555,[M+H]+,20.0,test,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
528365,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1,318.10555,[M+H]+,60.0,test,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
528366,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1,318.10555,[M+H]+,30.0,test,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
528367,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1,318.10555,[M+H]+,20.0,test,O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
528368,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,327.09058,[M-H]-,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528369,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,327.09058,[M-H]-,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528370,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,327.09058,[M-H]-,60.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528371,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,327.09058,[M-H]-,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528372,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,327.09058,[M-H]-,45.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528373,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,373.09606,[M+FA]-,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528374,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,373.09606,[M+FA]-,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528375,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,373.09606,[M+FA]-,60.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528376,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,373.09606,[M+FA]-,15.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528377,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,373.09606,[M+FA]-,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528378,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,327.09058,[M-H]-,20.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528379,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,327.09058,[M-H]-,20.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528380,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,327.09058,[M-H]-,60.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528381,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,327.09058,[M-H]-,30.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528382,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,327.09058,[M-H]-,20.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528383,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,327.09058,[M-H]-,60.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528384,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,327.09058,[M-H]-,30.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528385,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,327.09058,[M-H]-,20.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528386,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,373.09606,[M+FA]-,15.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528387,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,373.09606,[M+FA]-,15.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528388,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,373.09606,[M+FA]-,20.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528389,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,373.09606,[M+FA]-,60.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528390,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,373.09606,[M+FA]-,15.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528391,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,329.10513,[M+H]+,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528392,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,329.10513,[M+H]+,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528393,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,329.10513,[M+H]+,60.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528394,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,329.10513,[M+H]+,15.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528395,Cc1c(C(N)=O)cc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1,329.10513,[M+H]+,20.0,test,Cc1ccc(NC(=O)C2CC2c2ccc(Cl)cc2)cc1C(N)=O
528396,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,329.10513,[M+H]+,20.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528397,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,329.10513,[M+H]+,20.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528398,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,329.10513,[M+H]+,60.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528399,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,329.10513,[M+H]+,30.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528400,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1,329.10513,[M+H]+,20.0,test,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
528401,Cc1c(C(=O)N2CCCC(=O)c3c2ccc(Cl)c3)ccc(N)c1,329.10513,[M+H]+,20.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528402,Cc1c(C(=O)N2CCCC(=O)c3c2ccc(Cl)c3)ccc(N)c1,329.10513,[M+H]+,20.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528403,Cc1c(C(=O)N2CCCC(=O)c3c2ccc(Cl)c3)ccc(N)c1,329.10513,[M+H]+,60.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528404,Cc1c(C(=O)N2CCCC(=O)c3c2ccc(Cl)c3)ccc(N)c1,329.10513,[M+H]+,30.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528405,Cc1c(C(=O)N2CCCC(=O)c3c2ccc(Cl)c3)ccc(N)c1,329.10513,[M+H]+,20.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528406,Cc1c(C(=O)N2CCCC(=O)c3c2ccc(Cl)c3)ccc(N)c1,329.10513,[M+H]+,60.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528407,Cc1c(C(=O)N2CCCC(=O)c3c2ccc(Cl)c3)ccc(N)c1,329.10513,[M+H]+,30.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528408,Cc1c(C(=O)N2CCCC(=O)c3c2ccc(Cl)c3)ccc(N)c1,329.10513,[M+H]+,20.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528409,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,327.09058,[M-H]-,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528410,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,327.09058,[M-H]-,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528411,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,327.09058,[M-H]-,45.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528412,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,327.09058,[M-H]-,60.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528413,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,327.09058,[M-H]-,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528414,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,327.09058,[M-H]-,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528415,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,327.09058,[M-H]-,45.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528416,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,327.09058,[M-H]-,60.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528417,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,363.06726,[M+Cl]-,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528418,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,363.06726,[M+Cl]-,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528419,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,363.06726,[M+Cl]-,60.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528420,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,363.06726,[M+Cl]-,15.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528421,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,363.06726,[M+Cl]-,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528422,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,327.09058,[M-H]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528423,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,327.09058,[M-H]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528424,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,327.09058,[M-H]-,60.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528425,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,327.09058,[M-H]-,30.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528426,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,327.09058,[M-H]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528427,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,327.09058,[M-H]-,30.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528428,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,327.09058,[M-H]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528429,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,327.09058,[M-H]-,60.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528430,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,363.06726,[M+Cl]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528431,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,363.06726,[M+Cl]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528432,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,363.06726,[M+Cl]-,60.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528433,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,363.06726,[M+Cl]-,15.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528434,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,363.06726,[M+Cl]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528435,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,373.09606,[M+FA]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528436,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,373.09606,[M+FA]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528437,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,373.09606,[M+FA]-,60.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528438,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,373.09606,[M+FA]-,15.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528439,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,373.09606,[M+FA]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528440,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,373.09606,[M+FA]-,15.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528441,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,373.09606,[M+FA]-,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528442,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,373.09606,[M+FA]-,60.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528443,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,327.09058,[M-H]-,20.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528444,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,327.09058,[M-H]-,20.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528445,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,327.09058,[M-H]-,60.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528446,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,327.09058,[M-H]-,30.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528447,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,327.09058,[M-H]-,20.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528448,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,373.09606,[M+FA]-,15.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528449,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,373.09606,[M+FA]-,15.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528450,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,373.09606,[M+FA]-,20.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528451,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,373.09606,[M+FA]-,60.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528452,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,373.09606,[M+FA]-,15.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528453,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,327.09058,[M-H]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528454,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,327.09058,[M-H]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528455,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,327.09058,[M-H]-,60.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528456,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,327.09058,[M-H]-,30.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528457,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,327.09058,[M-H]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528458,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,373.09606,[M+FA]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528459,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,373.09606,[M+FA]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528460,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,373.09606,[M+FA]-,60.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528461,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,373.09606,[M+FA]-,15.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528462,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,373.09606,[M+FA]-,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528463,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,329.10513,[M+H]+,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528464,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,329.10513,[M+H]+,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528465,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,329.10513,[M+H]+,45.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528466,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,329.10513,[M+H]+,60.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528467,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21,329.10513,[M+H]+,20.0,test,CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
528468,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,329.10513,[M+H]+,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528469,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,329.10513,[M+H]+,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528470,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,329.10513,[M+H]+,30.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528471,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,329.10513,[M+H]+,60.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528472,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,329.10513,[M+H]+,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528473,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,329.10513,[M+H]+,45.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528474,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,329.10513,[M+H]+,60.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528475,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1,329.10513,[M+H]+,20.0,test,Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1
528476,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1,329.10513,[M+H]+,20.0,test,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1
528477,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1,329.10513,[M+H]+,20.0,test,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1
528478,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1,329.10513,[M+H]+,60.0,test,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1
528479,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1,329.10513,[M+H]+,15.0,test,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1
528480,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1,329.10513,[M+H]+,20.0,test,Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1
528481,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,329.10513,[M+H]+,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528482,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,329.10513,[M+H]+,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528483,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,329.10513,[M+H]+,60.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528484,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,329.10513,[M+H]+,30.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528485,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,329.10513,[M+H]+,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528486,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,329.10513,[M+H]+,60.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528487,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,329.10513,[M+H]+,20.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528488,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1,329.10513,[M+H]+,30.0,test,O=C(Cc1ccc(Cl)cc1)NC1CC(=O)N(c2ccccc2)C1
528489,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1,329.10513,[M+H]+,20.0,test,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1
528490,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1,329.10513,[M+H]+,20.0,test,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1
528491,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1,329.10513,[M+H]+,60.0,test,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1
528492,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1,329.10513,[M+H]+,30.0,test,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1
528493,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1,329.10513,[M+H]+,20.0,test,O=C1CC(NCCc2ccccc2Cl)C(=O)N1c1ccccc1
528494,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,311.09457,[M+H-H2O]+,20.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528495,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,311.09457,[M+H-H2O]+,20.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528496,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,311.09457,[M+H-H2O]+,60.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528497,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,311.09457,[M+H-H2O]+,30.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528498,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,311.09457,[M+H-H2O]+,20.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528499,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,311.09457,[M+H-H2O]+,60.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528500,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,311.09457,[M+H-H2O]+,30.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528501,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21,311.09457,[M+H-H2O]+,20.0,test,Cn1cc(C(O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
528502,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1,329.10513,[M+H]+,20.0,test,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1
528503,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1,329.10513,[M+H]+,20.0,test,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1
528504,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1,329.10513,[M+H]+,60.0,test,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1
528505,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1,329.10513,[M+H]+,30.0,test,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1
528506,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1,329.10513,[M+H]+,20.0,test,CC1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(Cl)cc1
528507,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21,329.10513,[M+H]+,20.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528508,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21,329.10513,[M+H]+,20.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528509,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21,329.10513,[M+H]+,60.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528510,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21,329.10513,[M+H]+,15.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528511,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21,329.10513,[M+H]+,20.0,test,Cc1cc(N)ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21
528512,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,364.10337,[M+Cl]-,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528513,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,364.10337,[M+Cl]-,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528514,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,364.10337,[M+Cl]-,60.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528515,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,364.10337,[M+Cl]-,15.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528516,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,364.10337,[M+Cl]-,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528517,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,374.13217,[M+FA]-,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528518,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,374.13217,[M+FA]-,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528519,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,374.13217,[M+FA]-,60.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528520,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,374.13217,[M+FA]-,15.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528521,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,374.13217,[M+FA]-,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528522,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528523,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528524,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,15.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528525,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,60.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528526,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,30.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528527,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528528,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,20.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528529,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,60.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528530,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21,330.14124,[M+H]+,15.0,test,CC(C)n1nc(CNC(=O)c2ccc(F)c(F)c2)c2ccccc21
528531,CCCCOc1c2cn[nH]c2ncc1C(=O)c1c(F)cc(C)cc1F,346.13616,[M+H]+,20.0,test,CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12
528532,CCCCOc1c2cn[nH]c2ncc1C(=O)c1c(F)cc(C)cc1F,346.13616,[M+H]+,20.0,test,CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12
528533,CCCCOc1c2cn[nH]c2ncc1C(=O)c1c(F)cc(C)cc1F,346.13616,[M+H]+,60.0,test,CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12
528534,CCCCOc1c2cn[nH]c2ncc1C(=O)c1c(F)cc(C)cc1F,346.13616,[M+H]+,30.0,test,CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12
528535,CCCCOc1c2cn[nH]c2ncc1C(=O)c1c(F)cc(C)cc1F,346.13616,[M+H]+,20.0,test,CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12
528536,CCCCOc1c2cn[nH]c2ncc1C(=O)c1c(F)cc(C)cc1F,346.13616,[M+H]+,60.0,test,CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12
528537,CCCCOc1c2cn[nH]c2ncc1C(=O)c1c(F)cc(C)cc1F,346.13616,[M+H]+,30.0,test,CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12
528538,CCCCOc1c2cn[nH]c2ncc1C(=O)c1c(F)cc(C)cc1F,346.13616,[M+H]+,20.0,test,CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12
528539,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,344.12161,[M-H]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528540,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,344.12161,[M-H]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528541,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,344.12161,[M-H]-,60.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528542,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,344.12161,[M-H]-,30.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528543,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,344.12161,[M-H]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528544,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,344.12161,[M-H]-,30.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528545,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,344.12161,[M-H]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528546,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,344.12161,[M-H]-,60.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528547,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,380.09828,[M+Cl]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528548,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,380.09828,[M+Cl]-,15.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528549,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,390.12709,[M+FA]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528550,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,390.12709,[M+FA]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528551,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,390.12709,[M+FA]-,60.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528552,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,390.12709,[M+FA]-,15.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528553,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,390.12709,[M+FA]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528554,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,390.12709,[M+FA]-,15.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528555,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,390.12709,[M+FA]-,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528556,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,390.12709,[M+FA]-,60.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528557,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,344.12161,[M-H]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528558,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,344.12161,[M-H]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528559,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,344.12161,[M-H]-,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528560,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,344.12161,[M-H]-,15.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528561,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,344.12161,[M-H]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528562,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,344.12161,[M-H]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528563,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,344.12161,[M-H]-,15.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528564,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,344.12161,[M-H]-,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528565,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,380.09828,[M+Cl]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528566,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,380.09828,[M+Cl]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528567,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,380.09828,[M+Cl]-,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528568,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,380.09828,[M+Cl]-,15.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528569,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,380.09828,[M+Cl]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528570,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,380.09828,[M+Cl]-,15.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528571,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,380.09828,[M+Cl]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528572,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,380.09828,[M+Cl]-,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528573,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,390.12709,[M+FA]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528574,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,390.12709,[M+FA]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528575,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,390.12709,[M+FA]-,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528576,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,390.12709,[M+FA]-,15.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528577,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,390.12709,[M+FA]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528578,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,390.12709,[M+FA]-,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528579,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,390.12709,[M+FA]-,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528580,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,390.12709,[M+FA]-,15.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528581,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1,346.13616,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1
528582,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1,346.13616,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1
528583,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1,346.13616,[M+H]+,60.0,test,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1
528584,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1,346.13616,[M+H]+,30.0,test,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1
528585,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1,346.13616,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1
528586,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1,346.13616,[M+H]+,60.0,test,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1
528587,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1,346.13616,[M+H]+,30.0,test,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1
528588,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1,346.13616,[M+H]+,20.0,test,Cc1nn(CCNC(=O)c2c(F)cccc2F)c(C)c1-c1ccco1
528589,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,345.12833,[M]+,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528590,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,345.12833,[M]+,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528591,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,345.12833,[M]+,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528592,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,345.12833,[M]+,30.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528593,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,345.12833,[M]+,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528594,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,346.13616,[M+H]+,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528595,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,346.13616,[M+H]+,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528596,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,346.13616,[M+H]+,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528597,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,346.13616,[M+H]+,30.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528598,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,346.13616,[M+H]+,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528599,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,346.13616,[M+H]+,60.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528600,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,346.13616,[M+H]+,30.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528601,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21,346.13616,[M+H]+,20.0,test,CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
528602,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,346.13616,[M+H]+,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528603,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,346.13616,[M+H]+,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528604,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,346.13616,[M+H]+,60.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528605,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,346.13616,[M+H]+,15.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528606,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F,346.13616,[M+H]+,20.0,test,Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)C2=O)ccc1F
528607,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1,346.13616,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1
528608,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1,346.13616,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1
528609,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1,346.13616,[M+H]+,60.0,test,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1
528610,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1,346.13616,[M+H]+,15.0,test,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1
528611,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1,346.13616,[M+H]+,20.0,test,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1
528612,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,340.13793,[M-H]-,20.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528613,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,340.13793,[M-H]-,20.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528614,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,340.13793,[M-H]-,60.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528615,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,340.13793,[M-H]-,20.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528616,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,340.13793,[M-H]-,45.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528617,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,342.15248,[M+H]+,20.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528618,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,342.15248,[M+H]+,20.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528619,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,342.15248,[M+H]+,60.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528620,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,342.15248,[M+H]+,20.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528621,Fc1cccc(F)c1-c1nnc(N2CCC(c3ncc[nH]3)CC2)cc1,342.15248,[M+H]+,45.0,test,Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1
528622,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,397.08392,[M-H]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528623,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,397.08392,[M-H]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528624,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,397.08392,[M-H]-,60.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528625,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,397.08392,[M-H]-,30.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528626,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,397.08392,[M-H]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528627,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,397.08392,[M-H]-,60.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528628,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,397.08392,[M-H]-,30.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528629,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,397.08392,[M-H]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528630,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,433.0606,[M+Cl]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528631,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,433.0606,[M+Cl]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528632,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,433.0606,[M+Cl]-,60.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528633,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,443.0894,[M+FA]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528634,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,443.0894,[M+FA]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528635,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,443.0894,[M+FA]-,60.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528636,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,443.0894,[M+FA]-,15.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528637,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,443.0894,[M+FA]-,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528638,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,399.09847,[M+H]+,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528639,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,399.09847,[M+H]+,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528640,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,399.09847,[M+H]+,60.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528641,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,399.09847,[M+H]+,30.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528642,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F,399.09847,[M+H]+,20.0,test,O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F
528643,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,423.12856,[M+FA]-,20.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528644,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,423.12856,[M+FA]-,20.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528645,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,423.12856,[M+FA]-,60.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528646,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,423.12856,[M+FA]-,15.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528647,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,423.12856,[M+FA]-,20.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528648,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,379.13764,[M+H]+,20.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528649,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,379.13764,[M+H]+,20.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528650,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,379.13764,[M+H]+,60.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528651,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,379.13764,[M+H]+,30.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528652,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,379.13764,[M+H]+,20.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528653,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,379.13764,[M+H]+,60.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528654,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,379.13764,[M+H]+,30.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528655,Cc1c(CCNC(=O)c2cn(C)nc2C(F)(F)F)nc(-c2ccccc2)o1,379.13764,[M+H]+,20.0,test,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cn(C)nc1C(F)(F)F
528656,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,377.12308,[M-H]-,20.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528657,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,377.12308,[M-H]-,20.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528658,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,377.12308,[M-H]-,60.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528659,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,377.12308,[M-H]-,20.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528660,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,377.12308,[M-H]-,60.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528661,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,377.12308,[M-H]-,20.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528662,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,413.09976,[M+Cl]-,15.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528663,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,413.09976,[M+Cl]-,15.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528664,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,379.13764,[M+H]+,20.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528665,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,379.13764,[M+H]+,20.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528666,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,379.13764,[M+H]+,60.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528667,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,379.13764,[M+H]+,20.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528668,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,379.13764,[M+H]+,20.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528669,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O,379.13764,[M+H]+,60.0,test,CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)C1=O
528670,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,470.02701,[M+FA]-,20.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528671,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,470.02701,[M+FA]-,20.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528672,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,470.02701,[M+FA]-,60.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528673,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,470.02701,[M+FA]-,30.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528674,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,470.02701,[M+FA]-,20.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528675,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,426.03608,[M+H]+,30.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528676,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,426.03608,[M+H]+,30.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528677,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,426.03608,[M+H]+,20.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528678,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,426.03608,[M+H]+,60.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528679,C#CCOc1c(OCC)cc(CNc2ccc(F)cc2)cc1I,426.03608,[M+H]+,30.0,test,C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC
528680,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,355.10343,[M-H]-,20.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528681,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,355.10343,[M-H]-,20.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528682,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,355.10343,[M-H]-,60.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528683,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,355.10343,[M-H]-,30.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528684,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,355.10343,[M-H]-,20.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528685,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,355.10343,[M-H]-,60.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528686,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,355.10343,[M-H]-,30.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528687,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,355.10343,[M-H]-,20.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528688,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,357.11799,[M+H]+,20.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528689,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,357.11799,[M+H]+,20.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528690,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,357.11799,[M+H]+,60.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528691,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,357.11799,[M+H]+,30.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528692,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,357.11799,[M+H]+,20.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528693,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,357.11799,[M+H]+,60.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528694,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,357.11799,[M+H]+,30.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528695,CCc1c(C)scc1C(=O)N/N=C/c1c(-c2ccc(F)cc2)[nH]nc1,357.11799,[M+H]+,20.0,test,CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
528696,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1,357.11799,[M+H]+,20.0,test,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1
528697,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1,357.11799,[M+H]+,20.0,test,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1
528698,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1,357.11799,[M+H]+,45.0,test,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1
528699,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1,357.11799,[M+H]+,60.0,test,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1
528700,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1,357.11799,[M+H]+,20.0,test,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1
528701,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1,357.11799,[M+H]+,60.0,test,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1
528702,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1,357.11799,[M+H]+,45.0,test,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1
528703,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1,357.11799,[M+H]+,20.0,test,Cc1cc(F)cnc1C(=O)N1CCN(c2nsc3ccccc23)CC1
528704,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,383.12734,[M-H]-,20.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528705,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,383.12734,[M-H]-,20.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528706,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,383.12734,[M-H]-,60.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528707,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,383.12734,[M-H]-,30.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528708,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,383.12734,[M-H]-,20.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528709,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,383.12734,[M-H]-,60.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528710,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,383.12734,[M-H]-,30.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528711,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,383.12734,[M-H]-,20.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528712,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,385.14189,[M+H]+,20.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528713,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,385.14189,[M+H]+,20.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528714,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,385.14189,[M+H]+,60.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528715,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,385.14189,[M+H]+,30.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528716,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,385.14189,[M+H]+,20.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528717,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,385.14189,[M+H]+,60.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528718,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,385.14189,[M+H]+,30.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528719,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cc(F)cnc1,385.14189,[M+H]+,20.0,test,CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1
528720,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1,356.1241,[M+H]+,20.0,test,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
528721,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1,356.1241,[M+H]+,20.0,test,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
528722,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1,356.1241,[M+H]+,60.0,test,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
528723,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1,356.1241,[M+H]+,30.0,test,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
528724,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1,356.1241,[M+H]+,20.0,test,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
528725,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1,356.1241,[M+H]+,60.0,test,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
528726,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1,356.1241,[M+H]+,30.0,test,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
528727,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1,356.1241,[M+H]+,20.0,test,COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
528728,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528729,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528730,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,30.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528731,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,60.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528732,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528733,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,45.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528734,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,60.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528735,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528736,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528737,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528738,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,60.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528739,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,15.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528740,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528741,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,364.14151,[M+FA]-,20.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528742,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,364.14151,[M+FA]-,20.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528743,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,364.14151,[M+FA]-,60.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528744,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,364.14151,[M+FA]-,15.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528745,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,364.14151,[M+FA]-,20.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528746,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,320.15059,[M+H]+,20.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528747,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,320.15059,[M+H]+,20.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528748,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,320.15059,[M+H]+,60.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528749,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,320.15059,[M+H]+,20.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528750,Cc1c(C#N)c2nc3ccccc3n2c(/N=C/N2CCOCC2)c1,320.15059,[M+H]+,60.0,test,Cc1cc(/N=C/N2CCOCC2)n2c(nc3ccccc32)c1C#N
528751,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528752,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528753,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,30.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528754,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528755,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528756,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,45.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528757,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528758,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528759,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528760,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528761,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,45.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528762,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,60.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528763,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,318.13603,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528764,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528765,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528766,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,15.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528767,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,364.14151,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528768,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,318.13603,[M-H]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528769,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,318.13603,[M-H]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528770,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,318.13603,[M-H]-,60.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528771,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,318.13603,[M-H]-,30.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528772,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,318.13603,[M-H]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528773,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,318.13603,[M-H]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528774,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,318.13603,[M-H]-,30.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528775,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,318.13603,[M-H]-,60.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528776,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,354.11271,[M+Cl]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528777,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,354.11271,[M+Cl]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528778,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,354.11271,[M+Cl]-,60.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528779,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,354.11271,[M+Cl]-,15.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528780,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,354.11271,[M+Cl]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528781,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,364.14151,[M+FA]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528782,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,364.14151,[M+FA]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528783,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,364.14151,[M+FA]-,60.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528784,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,364.14151,[M+FA]-,15.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528785,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,364.14151,[M+FA]-,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528786,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,318.13603,[M-H]-,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528787,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,318.13603,[M-H]-,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528788,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,318.13603,[M-H]-,45.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528789,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,318.13603,[M-H]-,60.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528790,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,318.13603,[M-H]-,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528791,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,318.13603,[M-H]-,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528792,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,318.13603,[M-H]-,45.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528793,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,318.13603,[M-H]-,60.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528794,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,364.14151,[M+FA]-,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528795,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,364.14151,[M+FA]-,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528796,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,364.14151,[M+FA]-,60.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528797,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,364.14151,[M+FA]-,15.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528798,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,364.14151,[M+FA]-,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528799,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,318.13603,[M-H]-,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528800,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,318.13603,[M-H]-,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528801,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,318.13603,[M-H]-,60.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528802,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,318.13603,[M-H]-,30.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528803,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,318.13603,[M-H]-,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528804,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,364.14151,[M+FA]-,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528805,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,364.14151,[M+FA]-,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528806,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,364.14151,[M+FA]-,60.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528807,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,364.14151,[M+FA]-,15.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528808,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,364.14151,[M+FA]-,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528809,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21,320.15059,[M+H]+,20.0,test,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21
528810,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21,320.15059,[M+H]+,20.0,test,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21
528811,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21,320.15059,[M+H]+,30.0,test,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21
528812,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21,320.15059,[M+H]+,60.0,test,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21
528813,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21,320.15059,[M+H]+,20.0,test,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21
528814,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21,320.15059,[M+H]+,45.0,test,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21
528815,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21,320.15059,[M+H]+,60.0,test,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21
528816,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21,320.15059,[M+H]+,20.0,test,Cn1c(CCNC(=O)c2cn3ccccc3n2)nc2ccccc21
528817,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,320.15059,[M+H]+,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528818,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,320.15059,[M+H]+,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528819,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,320.15059,[M+H]+,60.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528820,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,320.15059,[M+H]+,30.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528821,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,320.15059,[M+H]+,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528822,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,320.15059,[M+H]+,30.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528823,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,320.15059,[M+H]+,60.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528824,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O,320.15059,[M+H]+,20.0,test,Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
528825,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,320.15059,[M+H]+,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528826,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,320.15059,[M+H]+,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528827,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,320.15059,[M+H]+,60.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528828,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,320.15059,[M+H]+,30.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528829,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,320.15059,[M+H]+,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528830,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,320.15059,[M+H]+,20.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528831,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,320.15059,[M+H]+,60.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528832,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2,320.15059,[M+H]+,30.0,test,O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncnc2c1CCCC2
528833,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1,320.15059,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1
528834,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1,320.15059,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1
528835,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1,320.15059,[M+H]+,30.0,test,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1
528836,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1,320.15059,[M+H]+,60.0,test,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1
528837,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1,320.15059,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1
528838,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1,320.15059,[M+H]+,45.0,test,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1
528839,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1,320.15059,[M+H]+,60.0,test,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1
528840,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1,320.15059,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1
528841,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1,320.15059,[M+H]+,20.0,test,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1
528842,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1,320.15059,[M+H]+,20.0,test,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1
528843,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1,320.15059,[M+H]+,45.0,test,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1
528844,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1,320.15059,[M+H]+,60.0,test,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1
528845,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1,320.15059,[M+H]+,20.0,test,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1
528846,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1,320.15059,[M+H]+,60.0,test,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1
528847,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1,320.15059,[M+H]+,45.0,test,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1
528848,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1,320.15059,[M+H]+,20.0,test,N#Cc1ccc(N2CC3CN(C(=O)c4ccccn4)CC3C2)nc1
528849,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,320.15059,[M+H]+,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528850,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,320.15059,[M+H]+,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528851,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,320.15059,[M+H]+,60.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528852,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,320.15059,[M+H]+,15.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528853,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1,320.15059,[M+H]+,20.0,test,COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1
528854,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,301.1322,[M-H2O]+,45.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528855,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,301.1322,[M-H2O]+,45.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528856,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,301.1322,[M-H2O]+,60.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528857,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,301.1322,[M-H2O]+,20.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528858,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,320.15059,[M+H]+,20.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528859,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,320.15059,[M+H]+,20.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528860,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,320.15059,[M+H]+,60.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528861,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,320.15059,[M+H]+,15.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528862,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,320.15059,[M+H]+,20.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528863,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,320.15059,[M+H]+,45.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528864,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,320.15059,[M+H]+,60.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528865,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12,320.15059,[M+H]+,20.0,test,COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
528866,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21,320.15059,[M+H]+,20.0,test,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21
528867,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21,320.15059,[M+H]+,20.0,test,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21
528868,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21,320.15059,[M+H]+,45.0,test,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21
528869,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21,320.15059,[M+H]+,60.0,test,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21
528870,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21,320.15059,[M+H]+,20.0,test,CCn1nnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21
528871,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528872,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528873,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,30.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528874,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528875,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528876,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,45.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528877,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528878,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1,320.15059,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nc(C2CC2)n1
528879,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1,320.15059,[M+H]+,20.0,test,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1
528880,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1,320.15059,[M+H]+,20.0,test,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1
528881,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1,320.15059,[M+H]+,45.0,test,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1
528882,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1,320.15059,[M+H]+,60.0,test,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1
528883,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1,320.15059,[M+H]+,20.0,test,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1
528884,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1,320.15059,[M+H]+,45.0,test,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1
528885,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1,320.15059,[M+H]+,60.0,test,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1
528886,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1,320.15059,[M+H]+,20.0,test,CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1
528887,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,362.1371,[M-H]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528888,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,362.1371,[M-H]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528889,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,362.1371,[M-H]-,60.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528890,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,362.1371,[M-H]-,15.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528891,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,362.1371,[M-H]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528892,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,398.11377,[M+Cl]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528893,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,398.11377,[M+Cl]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528894,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,398.11377,[M+Cl]-,60.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528895,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,398.11377,[M+Cl]-,15.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528896,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,398.11377,[M+Cl]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528897,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,408.14258,[M+FA]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528898,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,408.14258,[M+FA]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528899,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,408.14258,[M+FA]-,60.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528900,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,408.14258,[M+FA]-,15.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528901,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,408.14258,[M+FA]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528902,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,408.14258,[M+FA]-,60.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528903,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,408.14258,[M+FA]-,15.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528904,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,408.14258,[M+FA]-,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528905,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,362.1371,[M-H]-,20.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528906,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,362.1371,[M-H]-,20.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528907,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,362.1371,[M-H]-,60.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528908,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,362.1371,[M-H]-,30.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528909,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,362.1371,[M-H]-,20.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528910,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,362.1371,[M-H]-,60.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528911,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,362.1371,[M-H]-,30.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528912,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,362.1371,[M-H]-,20.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528913,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,364.15165,[M+H]+,20.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528914,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,364.15165,[M+H]+,20.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528915,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,364.15165,[M+H]+,60.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528916,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,364.15165,[M+H]+,30.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528917,Cc1cc(=O)[nH]c(-c2cc(NC(=O)c3cn(CCCC#N)nn3)ccc2)n1,364.15165,[M+H]+,20.0,test,Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1
528918,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,364.15165,[M+H]+,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528919,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,364.15165,[M+H]+,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528920,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,364.15165,[M+H]+,60.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528921,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,364.15165,[M+H]+,15.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528922,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2nnnc2N)ccc1,364.15165,[M+H]+,20.0,test,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
528923,CN1CCc2ccccc2C1CNC(=O)c1cc(Cl)c(Cl)cc1,349.08689,[M+H]+,20.0,test,CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
528924,CN1CCc2ccccc2C1CNC(=O)c1cc(Cl)c(Cl)cc1,349.08689,[M+H]+,20.0,test,CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
528925,CN1CCc2ccccc2C1CNC(=O)c1cc(Cl)c(Cl)cc1,349.08689,[M+H]+,60.0,test,CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
528926,CN1CCc2ccccc2C1CNC(=O)c1cc(Cl)c(Cl)cc1,349.08689,[M+H]+,20.0,test,CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
528927,CN1CCc2ccccc2C1CNC(=O)c1cc(Cl)c(Cl)cc1,349.08689,[M+H]+,45.0,test,CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
528928,CN1CCc2ccccc2C1CNC(=O)c1cc(Cl)c(Cl)cc1,349.08689,[M+H]+,60.0,test,CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
528929,CN1CCc2ccccc2C1CNC(=O)c1cc(Cl)c(Cl)cc1,349.08689,[M+H]+,20.0,test,CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
528930,CN1CCc2ccccc2C1CNC(=O)c1cc(Cl)c(Cl)cc1,349.08689,[M+H]+,45.0,test,CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
528931,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1,349.08689,[M+H]+,20.0,test,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
528932,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1,349.08689,[M+H]+,20.0,test,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
528933,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1,349.08689,[M+H]+,60.0,test,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
528934,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1,349.08689,[M+H]+,30.0,test,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
528935,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1,349.08689,[M+H]+,20.0,test,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
528936,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1,349.08689,[M+H]+,30.0,test,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
528937,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1,349.08689,[M+H]+,60.0,test,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
528938,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1,349.08689,[M+H]+,20.0,test,O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
528939,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,326.10656,[M-H]-,20.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528940,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,326.10656,[M-H]-,20.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528941,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,326.10656,[M-H]-,60.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528942,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,326.10656,[M-H]-,20.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528943,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,326.10656,[M-H]-,45.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528944,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,372.11204,[M+FA]-,20.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528945,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,372.11204,[M+FA]-,60.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528946,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,372.11204,[M+FA]-,15.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528947,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,372.11204,[M+FA]-,20.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528948,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528949,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528950,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,60.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528951,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,30.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528952,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528953,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,328.12112,[M+H]+,20.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528954,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,328.12112,[M+H]+,20.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528955,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,328.12112,[M+H]+,30.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528956,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,328.12112,[M+H]+,60.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528957,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,328.12112,[M+H]+,15.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528958,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,328.12112,[M+H]+,20.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528959,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,328.12112,[M+H]+,60.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528960,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1,328.12112,[M+H]+,20.0,test,CC(O)(c1ccccc1)C(Cc1ccc(Cl)cc1)n1cncn1
528961,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,328.12112,[M+H]+,20.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528962,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,328.12112,[M+H]+,20.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528963,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,328.12112,[M+H]+,60.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528964,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,328.12112,[M+H]+,30.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528965,CCNCc1c(O)ccc(Nc2c3ccc(Cl)cc3ncc2)c1,328.12112,[M+H]+,20.0,test,CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
528966,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528967,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528968,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,60.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528969,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,30.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528970,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528971,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,60.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528972,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,30.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528973,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528974,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528975,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528976,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1,328.12112,[M+H]+,60.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528977,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1,328.12112,[M+H]+,30.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528978,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528979,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1,328.12112,[M+H]+,60.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528980,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1,328.12112,[M+H]+,30.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528981,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528982,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528983,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528984,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,30.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528985,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,60.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528986,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528987,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,45.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528988,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,60.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528989,CN1CCN(C2=Nc3ccccc3Oc3c2cc(Cl)cc3)CC1,328.12112,[M+H]+,20.0,test,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
528990,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,326.10656,[M-H]-,20.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
528991,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,326.10656,[M-H]-,20.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
528992,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,326.10656,[M-H]-,60.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
528993,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,326.10656,[M-H]-,30.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
528994,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,326.10656,[M-H]-,20.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
528995,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,326.10656,[M-H]-,20.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
528996,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,326.10656,[M-H]-,20.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
528997,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,326.10656,[M-H]-,60.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
528998,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,326.10656,[M-H]-,30.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
528999,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,326.10656,[M-H]-,20.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529000,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,372.11204,[M+FA]-,20.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529001,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,372.11204,[M+FA]-,20.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529002,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,372.11204,[M+FA]-,60.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529003,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,372.11204,[M+FA]-,15.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529004,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,372.11204,[M+FA]-,20.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529005,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,328.12112,[M+H]+,30.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529006,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,328.12112,[M+H]+,30.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529007,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,328.12112,[M+H]+,60.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529008,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,328.12112,[M+H]+,20.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529009,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C,328.12112,[M+H]+,30.0,test,Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C
529010,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,328.12112,[M+H]+,20.0,test,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
529011,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,328.12112,[M+H]+,20.0,test,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
529012,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,328.12112,[M+H]+,45.0,test,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
529013,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,328.12112,[M+H]+,60.0,test,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
529014,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,328.12112,[M+H]+,20.0,test,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
529015,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,328.12112,[M+H]+,45.0,test,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
529016,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,328.12112,[M+H]+,60.0,test,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
529017,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,328.12112,[M+H]+,20.0,test,CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
529018,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl,328.12112,[M+H]+,20.0,test,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl
529019,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl,328.12112,[M+H]+,20.0,test,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl
529020,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl,328.12112,[M+H]+,60.0,test,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl
529021,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl,328.12112,[M+H]+,30.0,test,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl
529022,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl,328.12112,[M+H]+,20.0,test,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl
529023,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,328.12112,[M+H]+,20.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
529024,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,328.12112,[M+H]+,20.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
529025,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,328.12112,[M+H]+,45.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
529026,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,328.12112,[M+H]+,60.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
529027,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl,328.12112,[M+H]+,20.0,test,CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl
529028,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21,328.12112,[M+H]+,20.0,test,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21
529029,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21,328.12112,[M+H]+,20.0,test,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21
529030,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21,328.12112,[M+H]+,45.0,test,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21
529031,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21,328.12112,[M+H]+,60.0,test,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21
529032,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21,328.12112,[M+H]+,20.0,test,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21
529033,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21,328.12112,[M+H]+,60.0,test,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21
529034,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21,328.12112,[M+H]+,45.0,test,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21
529035,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21,328.12112,[M+H]+,20.0,test,O=C(c1cccc(Cl)c1)N1CCC2CN(c3ccccn3)CC21
529036,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,380.12275,[M-H]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529037,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,380.12275,[M-H]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529038,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,380.12275,[M-H]-,60.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529039,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,380.12275,[M-H]-,30.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529040,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,380.12275,[M-H]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529041,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,380.12275,[M-H]-,60.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529042,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,380.12275,[M-H]-,30.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529043,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,380.12275,[M-H]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529044,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,416.09943,[M+Cl]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529045,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,416.09943,[M+Cl]-,60.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529046,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,416.09943,[M+Cl]-,15.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529047,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,416.09943,[M+Cl]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529048,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,426.12823,[M+FA]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529049,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,426.12823,[M+FA]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529050,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,426.12823,[M+FA]-,60.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529051,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,426.12823,[M+FA]-,15.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529052,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,426.12823,[M+FA]-,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529053,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,380.12275,[M-H]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529054,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,380.12275,[M-H]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529055,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,380.12275,[M-H]-,60.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529056,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,380.12275,[M-H]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529057,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,380.12275,[M-H]-,45.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529058,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,380.12275,[M-H]-,60.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529059,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,380.12275,[M-H]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529060,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,380.12275,[M-H]-,45.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529061,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,416.09943,[M+Cl]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529062,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,416.09943,[M+Cl]-,60.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529063,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,416.09943,[M+Cl]-,15.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529064,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,416.09943,[M+Cl]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529065,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,416.09943,[M+Cl]-,60.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529066,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,416.09943,[M+Cl]-,15.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529067,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,416.09943,[M+Cl]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529068,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,426.12823,[M+FA]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529069,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,426.12823,[M+FA]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529070,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,426.12823,[M+FA]-,60.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529071,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,426.12823,[M+FA]-,15.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529072,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,426.12823,[M+FA]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529073,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,426.12823,[M+FA]-,60.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529074,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,426.12823,[M+FA]-,15.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529075,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,426.12823,[M+FA]-,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529076,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,382.1373,[M+H]+,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529077,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,382.1373,[M+H]+,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529078,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,382.1373,[M+H]+,60.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529079,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,382.1373,[M+H]+,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529080,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,382.1373,[M+H]+,60.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529081,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(N2CCOCC2)cnc1,382.1373,[M+H]+,20.0,test,O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1
529082,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,382.1373,[M+H]+,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529083,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,382.1373,[M+H]+,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529084,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,382.1373,[M+H]+,60.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529085,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,382.1373,[M+H]+,15.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529086,Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C(F)(F)F)occ3)CC2)cc1,382.1373,[M+H]+,20.0,test,Cc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1
529087,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1,382.11954,[M+H]+,20.0,test,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1
529088,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1,382.11954,[M+H]+,20.0,test,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1
529089,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1,382.11954,[M+H]+,45.0,test,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1
529090,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1,382.11954,[M+H]+,60.0,test,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1
529091,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1,382.11954,[M+H]+,20.0,test,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1
529092,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1,382.11954,[M+H]+,60.0,test,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1
529093,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1,382.11954,[M+H]+,20.0,test,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1
529094,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1,382.11954,[M+H]+,45.0,test,O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccs3)CC2C1
529095,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,310.13611,[M-H]-,20.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529096,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,310.13611,[M-H]-,20.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529097,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,310.13611,[M-H]-,60.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529098,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,310.13611,[M-H]-,30.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529099,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,310.13611,[M-H]-,20.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529100,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,312.15067,[M+H]+,20.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529101,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,312.15067,[M+H]+,20.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529102,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,312.15067,[M+H]+,60.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529103,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,312.15067,[M+H]+,30.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529104,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,312.15067,[M+H]+,20.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529105,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,312.15067,[M+H]+,60.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529106,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,312.15067,[M+H]+,30.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529107,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1,312.15067,[M+H]+,20.0,test,O=C(Nc1ccncc1)N1CCC(=Cc2ccccc2F)CC1
529108,Cc1cc(NC(=O)N(C2=NCCC2)c2cc(F)ccc2)ccc1,312.15067,[M+H]+,20.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529109,Cc1cc(NC(=O)N(C2=NCCC2)c2cc(F)ccc2)ccc1,312.15067,[M+H]+,20.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529110,Cc1cc(NC(=O)N(C2=NCCC2)c2cc(F)ccc2)ccc1,312.15067,[M+H]+,60.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529111,Cc1cc(NC(=O)N(C2=NCCC2)c2cc(F)ccc2)ccc1,312.15067,[M+H]+,30.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529112,Cc1cc(NC(=O)N(C2=NCCC2)c2cc(F)ccc2)ccc1,312.15067,[M+H]+,20.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529113,Cc1cc(NC(=O)N(C2=NCCC2)c2cc(F)ccc2)ccc1,312.15067,[M+H]+,60.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529114,Cc1cc(NC(=O)N(C2=NCCC2)c2cc(F)ccc2)ccc1,312.15067,[M+H]+,30.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529115,Cc1cc(NC(=O)N(C2=NCCC2)c2cc(F)ccc2)ccc1,312.15067,[M+H]+,20.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529116,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1,312.15067,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1
529117,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1,312.15067,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1
529118,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1,312.15067,[M+H]+,45.0,test,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1
529119,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1,312.15067,[M+H]+,60.0,test,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1
529120,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1,312.15067,[M+H]+,20.0,test,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1
529121,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1,312.15067,[M+H]+,60.0,test,Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1
529122,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1,312.15067,[M+H]+,20.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529123,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1,312.15067,[M+H]+,20.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529124,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1,312.15067,[M+H]+,30.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529125,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1,312.15067,[M+H]+,60.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529126,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1,312.15067,[M+H]+,15.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529127,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1,312.15067,[M+H]+,20.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529128,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1,312.15067,[M+H]+,60.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529129,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1,312.15067,[M+H]+,20.0,test,Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1
529130,CC(C)Nc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,372.12888,[M+H]+,20.0,test,CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
529131,CC(C)Nc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,372.12888,[M+H]+,20.0,test,CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
529132,CC(C)Nc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,372.12888,[M+H]+,60.0,test,CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
529133,CC(C)Nc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,372.12888,[M+H]+,20.0,test,CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
529134,CC(C)Nc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,372.12888,[M+H]+,45.0,test,CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
529135,COC(=O)c1coc(Cn2cnc3c(c4c(CC(C)CC4)s3)c2=O)c1,359.106,[M+H]+,20.0,test,COC(=O)c1coc(Cn2cnc3sc4c(c3c2=O)CCC(C)C4)c1
529136,COC(=O)c1coc(Cn2cnc3c(c4c(CC(C)CC4)s3)c2=O)c1,359.106,[M+H]+,20.0,test,COC(=O)c1coc(Cn2cnc3sc4c(c3c2=O)CCC(C)C4)c1
529137,COC(=O)c1coc(Cn2cnc3c(c4c(CC(C)CC4)s3)c2=O)c1,359.106,[M+H]+,60.0,test,COC(=O)c1coc(Cn2cnc3sc4c(c3c2=O)CCC(C)C4)c1
529138,COC(=O)c1coc(Cn2cnc3c(c4c(CC(C)CC4)s3)c2=O)c1,359.106,[M+H]+,30.0,test,COC(=O)c1coc(Cn2cnc3sc4c(c3c2=O)CCC(C)C4)c1
529139,COC(=O)c1coc(Cn2cnc3c(c4c(CC(C)CC4)s3)c2=O)c1,359.106,[M+H]+,20.0,test,COC(=O)c1coc(Cn2cnc3sc4c(c3c2=O)CCC(C)C4)c1
529140,COC(=O)c1coc(Cn2cnc3c(c4c(CC(C)CC4)s3)c2=O)c1,359.106,[M+H]+,60.0,test,COC(=O)c1coc(Cn2cnc3sc4c(c3c2=O)CCC(C)C4)c1
529141,COC(=O)c1coc(Cn2cnc3c(c4c(CC(C)CC4)s3)c2=O)c1,359.106,[M+H]+,30.0,test,COC(=O)c1coc(Cn2cnc3sc4c(c3c2=O)CCC(C)C4)c1
529142,COC(=O)c1coc(Cn2cnc3c(c4c(CC(C)CC4)s3)c2=O)c1,359.106,[M+H]+,20.0,test,COC(=O)c1coc(Cn2cnc3sc4c(c3c2=O)CCC(C)C4)c1
529143,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,357.09145,[M-H]-,20.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529144,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,357.09145,[M-H]-,20.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529145,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,357.09145,[M-H]-,60.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529146,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,357.09145,[M-H]-,15.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529147,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,357.09145,[M-H]-,20.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529148,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,359.106,[M+H]+,20.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529149,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,359.106,[M+H]+,20.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529150,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,359.106,[M+H]+,60.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529151,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,359.106,[M+H]+,30.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529152,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,359.106,[M+H]+,20.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529153,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,381.08795,[M+Na]+,20.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529154,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,381.08795,[M+Na]+,20.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529155,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,381.08795,[M+Na]+,60.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529156,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,381.08795,[M+Na]+,30.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529157,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1,381.08795,[M+Na]+,20.0,test,COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)o1
529158,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,359.106,[M+H]+,20.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529159,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,359.106,[M+H]+,20.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529160,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,359.106,[M+H]+,60.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529161,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,359.106,[M+H]+,30.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529162,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,359.106,[M+H]+,20.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529163,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,359.106,[M+H]+,60.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529164,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,359.106,[M+H]+,30.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529165,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,359.106,[M+H]+,20.0,test,CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
529166,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,337.13061,[M-H]-,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529167,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,337.13061,[M-H]-,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529168,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,337.13061,[M-H]-,60.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529169,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,337.13061,[M-H]-,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529170,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,337.13061,[M-H]-,45.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529171,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,337.13061,[M-H]-,60.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529172,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,337.13061,[M-H]-,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529173,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,337.13061,[M-H]-,45.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529174,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,373.10729,[M+Cl]-,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529175,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,373.10729,[M+Cl]-,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529176,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,373.10729,[M+Cl]-,60.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529177,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,373.10729,[M+Cl]-,15.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529178,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,373.10729,[M+Cl]-,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529179,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,337.13061,[M-H]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529180,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,337.13061,[M-H]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529181,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,337.13061,[M-H]-,60.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529182,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,337.13061,[M-H]-,30.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529183,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,337.13061,[M-H]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529184,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,337.13061,[M-H]-,60.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529185,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,337.13061,[M-H]-,30.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529186,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,337.13061,[M-H]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529187,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,373.10729,[M+Cl]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529188,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,373.10729,[M+Cl]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529189,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,373.10729,[M+Cl]-,60.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529190,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,373.10729,[M+Cl]-,15.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529191,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,373.10729,[M+Cl]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529192,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,383.13609,[M+FA]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529193,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,383.13609,[M+FA]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529194,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,383.13609,[M+FA]-,60.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529195,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,383.13609,[M+FA]-,15.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529196,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,383.13609,[M+FA]-,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529197,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,337.13061,[M-H]-,20.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529198,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,337.13061,[M-H]-,20.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529199,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,337.13061,[M-H]-,60.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529200,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,337.13061,[M-H]-,20.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529201,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,337.13061,[M-H]-,45.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529202,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,337.13061,[M-H]-,60.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529203,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,337.13061,[M-H]-,20.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529204,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,337.13061,[M-H]-,20.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529205,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,337.13061,[M-H]-,20.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529206,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,337.13061,[M-H]-,60.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529207,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,337.13061,[M-H]-,15.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529208,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,337.13061,[M-H]-,20.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529209,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,337.13061,[M-H]-,20.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529210,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,337.13061,[M-H]-,20.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529211,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,337.13061,[M-H]-,60.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529212,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,337.13061,[M-H]-,30.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529213,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,337.13061,[M-H]-,20.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529214,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,337.13061,[M-H]-,60.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529215,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,337.13061,[M-H]-,30.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529216,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,337.13061,[M-H]-,20.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529217,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529218,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529219,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,60.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529220,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,30.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529221,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529222,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529223,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529224,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,60.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529225,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,15.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529226,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529227,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,337.13061,[M-H]-,20.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529228,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,337.13061,[M-H]-,20.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529229,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,337.13061,[M-H]-,60.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529230,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,337.13061,[M-H]-,20.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529231,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,337.13061,[M-H]-,45.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529232,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,337.13061,[M-H]-,60.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529233,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,337.13061,[M-H]-,20.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529234,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,337.13061,[M-H]-,45.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529235,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529236,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529237,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,60.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529238,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,30.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529239,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529240,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,60.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529241,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,30.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529242,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,337.13061,[M-H]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529243,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,15.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529244,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,15.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529245,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529246,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,60.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529247,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,383.13609,[M+FA]-,15.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529248,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,321.13461,[M+H-H2O]+,20.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529249,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,321.13461,[M+H-H2O]+,20.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529250,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,321.13461,[M+H-H2O]+,60.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529251,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,321.13461,[M+H-H2O]+,30.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529252,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12,321.13461,[M+H-H2O]+,20.0,test,O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]n2c(=O)ccnc12
529253,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,339.14517,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529254,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,339.14517,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529255,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,339.14517,[M+H]+,60.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529256,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,339.14517,[M+H]+,15.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529257,Cc1nn(-c2ccccc2)c2c1cc(NC(=O)C1(O)CCOC1)cn2,339.14517,[M+H]+,20.0,test,Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3(O)CCOC3)cc12
529258,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,339.14517,[M+H]+,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529259,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,339.14517,[M+H]+,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529260,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,339.14517,[M+H]+,60.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529261,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,339.14517,[M+H]+,30.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529262,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,339.14517,[M+H]+,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529263,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,339.14517,[M+H]+,60.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529264,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,339.14517,[M+H]+,30.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529265,CCOc1c(OC)cc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1,339.14517,[M+H]+,20.0,test,CCOc1ccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cc1OC
529266,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,339.14517,[M+H]+,20.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529267,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,339.14517,[M+H]+,20.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529268,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,339.14517,[M+H]+,60.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529269,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,339.14517,[M+H]+,30.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529270,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,339.14517,[M+H]+,20.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529271,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,339.14517,[M+H]+,60.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529272,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,339.14517,[M+H]+,30.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529273,CC(C)C(NC(=O)c1ncc(C(=O)O)cc1)c1nc2ccccc2[nH]1,339.14517,[M+H]+,20.0,test,CC(C)C(NC(=O)c1ccc(C(=O)O)cn1)c1nc2ccccc2[nH]1
529274,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,339.14517,[M+H]+,20.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529275,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,339.14517,[M+H]+,20.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529276,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,339.14517,[M+H]+,60.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529277,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,339.14517,[M+H]+,20.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529278,CCN(Cc1cc2c(cc1)OCCO2)C(=O)c1cnc2nc[nH]c2c1,339.14517,[M+H]+,45.0,test,CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc2nc[nH]c2c1
529279,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,339.14517,[M+H]+,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529280,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,339.14517,[M+H]+,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529281,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,339.14517,[M+H]+,60.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529282,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,339.14517,[M+H]+,15.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529283,COc1cc2c(C(=O)NC(Cc3ccccc3)C(N)=O)cnn2cc1,339.14517,[M+H]+,20.0,test,COc1ccn2ncc(C(=O)NC(Cc3ccccc3)C(N)=O)c2c1
529284,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,339.14517,[M+H]+,20.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529285,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,339.14517,[M+H]+,20.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529286,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,339.14517,[M+H]+,30.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529287,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,339.14517,[M+H]+,60.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529288,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,339.14517,[M+H]+,15.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529289,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,339.14517,[M+H]+,20.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529290,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,339.14517,[M+H]+,60.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529291,Cc1nc2c(C(=O)NCC(C(=O)O)c3ccccc3)cnn2c(C)c1,339.14517,[M+H]+,20.0,test,Cc1cc(C)n2ncc(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
529292,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,337.13061,[M-H]-,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529293,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,337.13061,[M-H]-,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529294,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,337.13061,[M-H]-,60.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529295,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,337.13061,[M-H]-,30.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529296,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,337.13061,[M-H]-,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529297,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,337.13061,[M-H]-,60.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529298,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,337.13061,[M-H]-,30.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529299,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,337.13061,[M-H]-,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529300,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,339.14517,[M+H]+,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529301,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,339.14517,[M+H]+,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529302,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,339.14517,[M+H]+,60.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529303,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,339.14517,[M+H]+,30.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529304,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,339.14517,[M+H]+,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529305,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,339.14517,[M+H]+,60.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529306,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,339.14517,[M+H]+,30.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529307,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc12,339.14517,[M+H]+,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529308,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,337.13061,[M-H]-,20.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529309,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,337.13061,[M-H]-,20.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529310,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,337.13061,[M-H]-,60.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529311,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,337.13061,[M-H]-,30.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529312,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,337.13061,[M-H]-,20.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529313,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,339.14517,[M+H]+,20.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529314,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,339.14517,[M+H]+,20.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529315,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,339.14517,[M+H]+,60.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529316,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,339.14517,[M+H]+,30.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529317,O=C(O)CCC(=O)N1CCc2c(nc[nH]2)C1c1c2cc[nH]c2ccc1,339.14517,[M+H]+,20.0,test,O=C(O)CCC(=O)N1CCc2[nH]cnc2C1c1cccc2[nH]ccc12
529318,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,337.13061,[M-H]-,20.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529319,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,337.13061,[M-H]-,20.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529320,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,337.13061,[M-H]-,60.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529321,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,337.13061,[M-H]-,30.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529322,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,337.13061,[M-H]-,20.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529323,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,383.13609,[M+FA]-,20.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529324,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,383.13609,[M+FA]-,20.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529325,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,383.13609,[M+FA]-,60.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529326,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,383.13609,[M+FA]-,15.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529327,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1,383.13609,[M+FA]-,20.0,test,CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)o1
529328,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,337.13061,[M-H]-,20.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529329,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,337.13061,[M-H]-,20.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529330,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,337.13061,[M-H]-,60.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529331,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,337.13061,[M-H]-,30.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529332,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,337.13061,[M-H]-,20.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529333,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,337.13061,[M-H]-,20.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529334,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,337.13061,[M-H]-,30.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529335,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,337.13061,[M-H]-,60.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529336,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,337.13061,[M-H]-,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529337,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,337.13061,[M-H]-,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529338,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,337.13061,[M-H]-,60.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529339,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,337.13061,[M-H]-,30.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529340,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,337.13061,[M-H]-,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529341,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,337.13061,[M-H]-,30.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529342,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,337.13061,[M-H]-,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529343,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,337.13061,[M-H]-,60.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529344,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,337.13061,[M-H]-,20.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529345,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,337.13061,[M-H]-,20.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529346,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,337.13061,[M-H]-,60.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529347,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,337.13061,[M-H]-,30.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529348,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,337.13061,[M-H]-,20.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529349,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,337.13061,[M-H]-,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529350,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,337.13061,[M-H]-,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529351,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,337.13061,[M-H]-,60.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529352,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,337.13061,[M-H]-,15.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529353,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,337.13061,[M-H]-,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529354,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,337.13061,[M-H]-,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529355,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,337.13061,[M-H]-,15.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529356,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,337.13061,[M-H]-,60.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529357,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,373.10729,[M+Cl]-,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529358,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,373.10729,[M+Cl]-,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529359,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,373.10729,[M+Cl]-,60.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529360,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,373.10729,[M+Cl]-,15.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529361,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,373.10729,[M+Cl]-,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529362,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,337.13061,[M-H]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529363,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,337.13061,[M-H]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529364,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,337.13061,[M-H]-,60.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529365,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,337.13061,[M-H]-,15.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529366,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,337.13061,[M-H]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529367,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,373.10729,[M+Cl]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529368,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,373.10729,[M+Cl]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529369,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,373.10729,[M+Cl]-,60.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529370,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,383.13609,[M+FA]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529371,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,383.13609,[M+FA]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529372,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,383.13609,[M+FA]-,60.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529373,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,383.13609,[M+FA]-,15.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529374,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,383.13609,[M+FA]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529375,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,383.13609,[M+FA]-,15.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529376,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,383.13609,[M+FA]-,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529377,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,383.13609,[M+FA]-,60.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529378,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,339.14517,[M+H]+,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529379,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,339.14517,[M+H]+,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529380,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,339.14517,[M+H]+,60.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529381,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,339.14517,[M+H]+,30.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529382,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,339.14517,[M+H]+,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529383,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,339.14517,[M+H]+,30.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529384,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,339.14517,[M+H]+,60.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529385,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21,339.14517,[M+H]+,20.0,test,CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21
529386,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1,339.14517,[M+H]+,20.0,test,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1
529387,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1,339.14517,[M+H]+,20.0,test,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1
529388,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1,339.14517,[M+H]+,60.0,test,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1
529389,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1,339.14517,[M+H]+,30.0,test,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1
529390,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1,339.14517,[M+H]+,20.0,test,Cc1ccc(OC2CCN(C(=O)Cc3noc4ccccc34)C2)nn1
529391,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1,339.14517,[M+H]+,20.0,test,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1
529392,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1,339.14517,[M+H]+,20.0,test,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1
529393,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1,339.14517,[M+H]+,60.0,test,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1
529394,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1,339.14517,[M+H]+,15.0,test,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1
529395,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1,339.14517,[M+H]+,20.0,test,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1
529396,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1,339.14517,[M+H]+,20.0,test,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1
529397,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1,339.14517,[M+H]+,60.0,test,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1
529398,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1,339.14517,[M+H]+,15.0,test,CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1
529399,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,339.14517,[M+H]+,20.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529400,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,339.14517,[M+H]+,20.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529401,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,339.14517,[M+H]+,60.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529402,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,339.14517,[M+H]+,30.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529403,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C,339.14517,[M+H]+,20.0,test,Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C
529404,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1,339.14517,[M+H]+,30.0,test,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1
529405,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1,339.14517,[M+H]+,30.0,test,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1
529406,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1,339.14517,[M+H]+,20.0,test,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1
529407,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1,339.14517,[M+H]+,60.0,test,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1
529408,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1,339.14517,[M+H]+,30.0,test,Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)[nH]1
529409,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,339.14517,[M+H]+,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529410,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,339.14517,[M+H]+,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529411,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,339.14517,[M+H]+,60.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529412,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,339.14517,[M+H]+,15.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529413,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1,339.14517,[M+H]+,20.0,test,Cc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1
529414,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21,339.14517,[M+H]+,20.0,test,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21
529415,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21,339.14517,[M+H]+,20.0,test,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21
529416,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21,339.14517,[M+H]+,60.0,test,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21
529417,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21,339.14517,[M+H]+,30.0,test,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21
529418,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21,339.14517,[M+H]+,20.0,test,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21
529419,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21,339.14517,[M+H]+,60.0,test,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21
529420,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21,339.14517,[M+H]+,30.0,test,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21
529421,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21,339.14517,[M+H]+,20.0,test,CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21
529422,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,339.14517,[M+H]+,20.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529423,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,339.14517,[M+H]+,20.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529424,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,339.14517,[M+H]+,15.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529425,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,339.14517,[M+H]+,60.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529426,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,339.14517,[M+H]+,30.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529427,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,339.14517,[M+H]+,20.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529428,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,339.14517,[M+H]+,20.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529429,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1,339.14517,[M+H]+,60.0,test,CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
529430,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21,339.14517,[M+H]+,20.0,test,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21
529431,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21,339.14517,[M+H]+,20.0,test,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21
529432,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21,339.14517,[M+H]+,30.0,test,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21
529433,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21,339.14517,[M+H]+,60.0,test,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21
529434,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21,339.14517,[M+H]+,15.0,test,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21
529435,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21,339.14517,[M+H]+,20.0,test,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21
529436,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21,339.14517,[M+H]+,60.0,test,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21
529437,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21,339.14517,[M+H]+,20.0,test,CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21
529438,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1,339.14517,[M+H]+,20.0,test,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1
529439,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1,339.14517,[M+H]+,20.0,test,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1
529440,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1,339.14517,[M+H]+,60.0,test,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1
529441,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1,339.14517,[M+H]+,15.0,test,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1
529442,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1,339.14517,[M+H]+,20.0,test,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1
529443,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1,339.14517,[M+H]+,45.0,test,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1
529444,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1,339.14517,[M+H]+,60.0,test,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1
529445,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1,339.14517,[M+H]+,20.0,test,COc1cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc(OC)c1
529446,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,339.14517,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529447,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,339.14517,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529448,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,339.14517,[M+H]+,30.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529449,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,339.14517,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529450,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,339.14517,[M+H]+,15.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529451,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,339.14517,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529452,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,339.14517,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529453,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21,339.14517,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)CNCn1cnc2ccccc21
529454,Cc1nnc2ccc(N3CCN(C(=O)c4cc5c(cc4)OCO5)CC3)nn12,367.15131,[M+H]+,20.0,test,Cc1nnc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn12
529455,Cc1nnc2ccc(N3CCN(C(=O)c4cc5c(cc4)OCO5)CC3)nn12,367.15131,[M+H]+,20.0,test,Cc1nnc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn12
529456,Cc1nnc2ccc(N3CCN(C(=O)c4cc5c(cc4)OCO5)CC3)nn12,367.15131,[M+H]+,60.0,test,Cc1nnc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn12
529457,Cc1nnc2ccc(N3CCN(C(=O)c4cc5c(cc4)OCO5)CC3)nn12,367.15131,[M+H]+,15.0,test,Cc1nnc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn12
529458,Cc1nnc2ccc(N3CCN(C(=O)c4cc5c(cc4)OCO5)CC3)nn12,367.15131,[M+H]+,20.0,test,Cc1nnc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn12
529459,Cc1nnc2ccc(N3CCN(C(=O)c4cc5c(cc4)OCO5)CC3)nn12,367.15131,[M+H]+,45.0,test,Cc1nnc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn12
529460,Cc1nnc2ccc(N3CCN(C(=O)c4cc5c(cc4)OCO5)CC3)nn12,367.15131,[M+H]+,60.0,test,Cc1nnc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn12
529461,Cc1nnc2ccc(N3CCN(C(=O)c4cc5c(cc4)OCO5)CC3)nn12,367.15131,[M+H]+,20.0,test,Cc1nnc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn12
529462,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1,375.07027,[M+H]+,20.0,test,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1
529463,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1,375.07027,[M+H]+,20.0,test,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1
529464,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1,375.07027,[M+H]+,30.0,test,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1
529465,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1,375.07027,[M+H]+,60.0,test,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1
529466,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1,375.07027,[M+H]+,20.0,test,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1
529467,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1,375.07027,[M+H]+,30.0,test,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1
529468,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1,375.07027,[M+H]+,60.0,test,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1
529469,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1,375.07027,[M+H]+,20.0,test,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3Br)C2)c1
529470,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2,375.07027,[M+H]+,20.0,test,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2
529471,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2,375.07027,[M+H]+,20.0,test,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2
529472,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2,375.07027,[M+H]+,60.0,test,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2
529473,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2,375.07027,[M+H]+,15.0,test,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2
529474,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2,375.07027,[M+H]+,20.0,test,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2
529475,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2,375.07027,[M+H]+,45.0,test,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2
529476,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2,375.07027,[M+H]+,60.0,test,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2
529477,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2,375.07027,[M+H]+,20.0,test,COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(C)C2
529478,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,411.07963,[M-H]-,20.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529479,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,411.07963,[M-H]-,20.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529480,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,411.07963,[M-H]-,30.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529481,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,411.07963,[M-H]-,20.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529482,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,413.09418,[M+H]+,20.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529483,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,413.09418,[M+H]+,20.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529484,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,413.09418,[M+H]+,60.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529485,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,413.09418,[M+H]+,15.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529486,CC1CCN(c2c(Cl)c(=O)n(CC(=O)Nc3c(F)c(Cl)ccc3)nc2)CC1,413.09418,[M+H]+,20.0,test,CC1CCN(c2cnn(CC(=O)Nc3cccc(Cl)c3F)c(=O)c2Cl)CC1
529487,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,346.11279,[M-H]-,20.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529488,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,346.11279,[M-H]-,20.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529489,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,346.11279,[M-H]-,45.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529490,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,346.11279,[M-H]-,60.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529491,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,346.11279,[M-H]-,20.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529492,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F,348.12734,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F
529493,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F,348.12734,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F
529494,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F,348.12734,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F
529495,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F,348.12734,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F
529496,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F,348.12734,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F
529497,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F,348.12734,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F
529498,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F,348.12734,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F
529499,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F,348.12734,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ncc1F
529500,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,348.12734,[M+H]+,20.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529501,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,348.12734,[M+H]+,20.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529502,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,348.12734,[M+H]+,60.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529503,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,348.12734,[M+H]+,15.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529504,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,348.12734,[M+H]+,20.0,test,Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
529505,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1,376.13349,[M+H]+,20.0,test,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1
529506,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1,376.13349,[M+H]+,20.0,test,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1
529507,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1,376.13349,[M+H]+,45.0,test,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1
529508,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1,376.13349,[M+H]+,60.0,test,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1
529509,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1,376.13349,[M+H]+,20.0,test,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1
529510,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1,376.13349,[M+H]+,60.0,test,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1
529511,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1,376.13349,[M+H]+,45.0,test,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1
529512,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1,376.13349,[M+H]+,20.0,test,CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1
529513,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,381.14315,[M+FA]-,20.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529514,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,381.14315,[M+FA]-,20.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529515,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,381.14315,[M+FA]-,60.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529516,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,381.14315,[M+FA]-,15.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529517,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,381.14315,[M+FA]-,20.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529518,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,381.14315,[M+FA]-,60.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529519,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,381.14315,[M+FA]-,15.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529520,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,381.14315,[M+FA]-,20.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529521,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,337.15222,[M+H]+,20.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529522,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,337.15222,[M+H]+,20.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529523,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,337.15222,[M+H]+,60.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529524,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,337.15222,[M+H]+,15.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529525,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,337.15222,[M+H]+,20.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529526,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,337.15222,[M+H]+,60.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529527,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,337.15222,[M+H]+,15.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529528,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1,337.15222,[M+H]+,20.0,test,NC(CNC(=O)CC(c1ccccc1)C(F)(F)F)c1ccccc1
529529,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,377.09768,[M-H]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529530,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,377.09768,[M-H]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529531,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,377.09768,[M-H]-,60.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529532,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,377.09768,[M-H]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529533,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,377.09768,[M-H]-,45.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529534,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,377.09768,[M-H]-,60.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529535,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,377.09768,[M-H]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529536,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,377.09768,[M-H]-,45.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529537,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,413.07436,[M+Cl]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529538,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,413.07436,[M+Cl]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529539,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,413.07436,[M+Cl]-,60.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529540,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,413.07436,[M+Cl]-,15.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529541,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,413.07436,[M+Cl]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529542,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,423.10316,[M+FA]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529543,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,423.10316,[M+FA]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529544,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,423.10316,[M+FA]-,60.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529545,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,423.10316,[M+FA]-,15.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529546,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,423.10316,[M+FA]-,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529547,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,379.11223,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529548,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,379.11223,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529549,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,379.11223,[M+H]+,60.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529550,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,379.11223,[M+H]+,30.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529551,Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2)c1,379.11223,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
529552,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,377.09768,[M-H]-,20.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529553,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,377.09768,[M-H]-,20.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529554,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,377.09768,[M-H]-,60.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529555,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,377.09768,[M-H]-,20.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529556,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,377.09768,[M-H]-,60.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529557,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,377.09768,[M-H]-,20.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529558,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,379.11223,[M+H]+,20.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529559,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,379.11223,[M+H]+,20.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529560,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,379.11223,[M+H]+,60.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529561,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,379.11223,[M+H]+,30.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529562,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1,379.11223,[M+H]+,20.0,test,COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1
529563,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1,375.14631,[M+H]+,20.0,test,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1
529564,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1,375.14631,[M+H]+,20.0,test,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1
529565,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1,375.14631,[M+H]+,60.0,test,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1
529566,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1,375.14631,[M+H]+,15.0,test,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1
529567,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1,375.14631,[M+H]+,20.0,test,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1
529568,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1,375.14631,[M+H]+,15.0,test,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1
529569,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1,375.14631,[M+H]+,20.0,test,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1
529570,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1,375.14631,[M+H]+,60.0,test,O=C(NCc1ccc2c(c1)OCO2)N1CCCC(Oc2ncc(F)cn2)C1
529571,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,276.15062,[M-H]-,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529572,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,276.15062,[M-H]-,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529573,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,276.15062,[M-H]-,60.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529574,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,276.15062,[M-H]-,30.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529575,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,276.15062,[M-H]-,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529576,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,322.1561,[M+FA]-,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529577,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,322.1561,[M+FA]-,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529578,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,322.1561,[M+FA]-,60.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529579,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,322.1561,[M+FA]-,15.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529580,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,322.1561,[M+FA]-,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529581,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,278.16517,[M+H]+,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529582,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,278.16517,[M+H]+,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529583,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,278.16517,[M+H]+,60.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529584,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,278.16517,[M+H]+,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529585,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,278.16517,[M+H]+,45.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529586,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,278.16517,[M+H]+,60.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529587,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,278.16517,[M+H]+,20.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529588,Cc1c(C)[nH]c(-c2cc(NCc3ccccc3)ccc2)n1,278.16517,[M+H]+,45.0,test,Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C
529589,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,356.10744,[M-H]-,20.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529590,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,356.10744,[M-H]-,20.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529591,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,356.10744,[M-H]-,60.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529592,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,356.10744,[M-H]-,20.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529593,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,356.10744,[M-H]-,45.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529594,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,356.10744,[M-H]-,60.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529595,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,356.10744,[M-H]-,20.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529596,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,356.10744,[M-H]-,45.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529597,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,358.12199,[M+H]+,20.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529598,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,358.12199,[M+H]+,20.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529599,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,358.12199,[M+H]+,60.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529600,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,358.12199,[M+H]+,15.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529601,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O,358.12199,[M+H]+,20.0,test,CC(NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O
529602,COc1ccc(-c2nc(CCNC(=O)c3c(C)nc(C)s3)co2)cc1,358.12199,[M+H]+,20.0,test,COc1ccc(-c2nc(CCNC(=O)c3sc(C)nc3C)co2)cc1
529603,COc1ccc(-c2nc(CCNC(=O)c3c(C)nc(C)s3)co2)cc1,358.12199,[M+H]+,20.0,test,COc1ccc(-c2nc(CCNC(=O)c3sc(C)nc3C)co2)cc1
529604,COc1ccc(-c2nc(CCNC(=O)c3c(C)nc(C)s3)co2)cc1,358.12199,[M+H]+,60.0,test,COc1ccc(-c2nc(CCNC(=O)c3sc(C)nc3C)co2)cc1
529605,COc1ccc(-c2nc(CCNC(=O)c3c(C)nc(C)s3)co2)cc1,358.12199,[M+H]+,30.0,test,COc1ccc(-c2nc(CCNC(=O)c3sc(C)nc3C)co2)cc1
529606,COc1ccc(-c2nc(CCNC(=O)c3c(C)nc(C)s3)co2)cc1,358.12199,[M+H]+,20.0,test,COc1ccc(-c2nc(CCNC(=O)c3sc(C)nc3C)co2)cc1
529607,COc1ccc(-c2nc(CCNC(=O)c3c(C)nc(C)s3)co2)cc1,358.12199,[M+H]+,60.0,test,COc1ccc(-c2nc(CCNC(=O)c3sc(C)nc3C)co2)cc1
529608,COc1ccc(-c2nc(CCNC(=O)c3c(C)nc(C)s3)co2)cc1,358.12199,[M+H]+,30.0,test,COc1ccc(-c2nc(CCNC(=O)c3sc(C)nc3C)co2)cc1
529609,COc1ccc(-c2nc(CCNC(=O)c3c(C)nc(C)s3)co2)cc1,358.12199,[M+H]+,20.0,test,COc1ccc(-c2nc(CCNC(=O)c3sc(C)nc3C)co2)cc1
529610,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529611,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529612,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,30.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529613,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529614,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529615,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529616,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,30.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529617,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529618,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529619,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529620,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529621,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529622,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,45.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529623,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529624,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529625,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,45.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529626,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529627,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529628,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529629,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529630,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,45.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529631,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529632,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529633,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,45.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529634,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529635,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529636,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529637,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,30.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529638,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529639,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529640,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,30.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529641,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529642,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529643,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529644,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529645,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,30.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529646,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529647,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529648,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,30.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529649,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,356.10744,[M-H]-,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529650,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529651,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529652,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529653,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529654,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,45.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529655,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529656,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529657,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,45.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529658,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529659,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529660,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529661,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,15.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529662,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529663,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,45.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529664,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,60.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529665,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,358.12199,[M+H]+,20.0,test,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
529666,COc1cc2c(cc1)oc(=O)c(-c1nnc(NC3CCCCC3)s1)c2,358.12199,[M+H]+,20.0,test,COc1ccc2oc(=O)c(-c3nnc(NC4CCCCC4)s3)cc2c1
529667,COc1cc2c(cc1)oc(=O)c(-c1nnc(NC3CCCCC3)s1)c2,358.12199,[M+H]+,20.0,test,COc1ccc2oc(=O)c(-c3nnc(NC4CCCCC4)s3)cc2c1
529668,COc1cc2c(cc1)oc(=O)c(-c1nnc(NC3CCCCC3)s1)c2,358.12199,[M+H]+,60.0,test,COc1ccc2oc(=O)c(-c3nnc(NC4CCCCC4)s3)cc2c1
529669,COc1cc2c(cc1)oc(=O)c(-c1nnc(NC3CCCCC3)s1)c2,358.12199,[M+H]+,20.0,test,COc1ccc2oc(=O)c(-c3nnc(NC4CCCCC4)s3)cc2c1
529670,COc1cc2c(cc1)oc(=O)c(-c1nnc(NC3CCCCC3)s1)c2,358.12199,[M+H]+,45.0,test,COc1ccc2oc(=O)c(-c3nnc(NC4CCCCC4)s3)cc2c1
529671,COc1cc2c(cc1)oc(=O)c(-c1nnc(NC3CCCCC3)s1)c2,358.12199,[M+H]+,60.0,test,COc1ccc2oc(=O)c(-c3nnc(NC4CCCCC4)s3)cc2c1
529672,COc1cc2c(cc1)oc(=O)c(-c1nnc(NC3CCCCC3)s1)c2,358.12199,[M+H]+,20.0,test,COc1ccc2oc(=O)c(-c3nnc(NC4CCCCC4)s3)cc2c1
529673,COc1cc2c(cc1)oc(=O)c(-c1nnc(NC3CCCCC3)s1)c2,358.12199,[M+H]+,45.0,test,COc1ccc2oc(=O)c(-c3nnc(NC4CCCCC4)s3)cc2c1
529674,Cc1cc(COc2coc(CSc3nncn3C)cc2=O)c(C)cc1,358.12199,[M+H]+,20.0,test,Cc1ccc(C)c(COc2coc(CSc3nncn3C)cc2=O)c1
529675,Cc1cc(COc2coc(CSc3nncn3C)cc2=O)c(C)cc1,358.12199,[M+H]+,20.0,test,Cc1ccc(C)c(COc2coc(CSc3nncn3C)cc2=O)c1
529676,Cc1cc(COc2coc(CSc3nncn3C)cc2=O)c(C)cc1,358.12199,[M+H]+,60.0,test,Cc1ccc(C)c(COc2coc(CSc3nncn3C)cc2=O)c1
529677,Cc1cc(COc2coc(CSc3nncn3C)cc2=O)c(C)cc1,358.12199,[M+H]+,30.0,test,Cc1ccc(C)c(COc2coc(CSc3nncn3C)cc2=O)c1
529678,Cc1cc(COc2coc(CSc3nncn3C)cc2=O)c(C)cc1,358.12199,[M+H]+,20.0,test,Cc1ccc(C)c(COc2coc(CSc3nncn3C)cc2=O)c1
529679,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,20.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529680,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,20.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529681,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,60.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529682,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,30.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529683,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,20.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529684,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,60.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529685,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,30.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529686,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,20.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529687,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,20.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529688,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,20.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529689,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,60.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529690,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,30.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529691,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,20.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529692,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,60.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529693,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,30.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529694,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,356.10744,[M-H]-,20.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529695,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,20.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529696,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,20.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529697,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,60.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529698,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,30.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529699,CCC(C)C(NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,20.0,test,CCC(C)C(NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529700,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,20.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529701,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,20.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529702,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,60.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529703,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,30.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529704,CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc1)nc(-n1cccc1)s2)C(=O)O,358.12199,[M+H]+,20.0,test,CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)O
529705,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1,358.12199,[M+H]+,20.0,test,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1
529706,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1,358.12199,[M+H]+,20.0,test,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1
529707,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1,358.12199,[M+H]+,60.0,test,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1
529708,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1,358.12199,[M+H]+,15.0,test,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1
529709,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1,358.12199,[M+H]+,20.0,test,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1
529710,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1,358.12199,[M+H]+,20.0,test,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1
529711,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1,358.12199,[M+H]+,15.0,test,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1
529712,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1,358.12199,[M+H]+,60.0,test,CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1
529713,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,354.12817,[M+FA]-,15.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529714,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,354.12817,[M+FA]-,60.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529715,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,354.12817,[M+FA]-,20.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529716,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,354.12817,[M+FA]-,15.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529717,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,310.13725,[M+H]+,20.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529718,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,310.13725,[M+H]+,20.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529719,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,310.13725,[M+H]+,60.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529720,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,310.13725,[M+H]+,30.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529721,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1,310.13725,[M+H]+,20.0,test,c1ccc2c(c1)CSc1ccccc1C2CNC1=NCCN1
529722,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,352.14151,[M-H]-,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529723,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,352.14151,[M-H]-,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529724,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,352.14151,[M-H]-,60.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529725,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,352.14151,[M-H]-,15.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529726,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,352.14151,[M-H]-,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529727,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,388.11819,[M+Cl]-,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529728,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,398.14699,[M+FA]-,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529729,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,398.14699,[M+FA]-,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529730,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,398.14699,[M+FA]-,60.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529731,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,398.14699,[M+FA]-,15.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529732,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,398.14699,[M+FA]-,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529733,COc1cc(NC(=O)c2c(C)n(Cc3ccncc3)nn2)cc(OC)c1,354.15607,[M+H]+,20.0,test,COc1cc(NC(=O)c2nnn(Cc3ccncc3)c2C)cc(OC)c1
529734,COc1cc(NC(=O)c2c(C)n(Cc3ccncc3)nn2)cc(OC)c1,354.15607,[M+H]+,20.0,test,COc1cc(NC(=O)c2nnn(Cc3ccncc3)c2C)cc(OC)c1
529735,COc1cc(NC(=O)c2c(C)n(Cc3ccncc3)nn2)cc(OC)c1,354.15607,[M+H]+,60.0,test,COc1cc(NC(=O)c2nnn(Cc3ccncc3)c2C)cc(OC)c1
529736,COc1cc(NC(=O)c2c(C)n(Cc3ccncc3)nn2)cc(OC)c1,354.15607,[M+H]+,30.0,test,COc1cc(NC(=O)c2nnn(Cc3ccncc3)c2C)cc(OC)c1
529737,COc1cc(NC(=O)c2c(C)n(Cc3ccncc3)nn2)cc(OC)c1,354.15607,[M+H]+,20.0,test,COc1cc(NC(=O)c2nnn(Cc3ccncc3)c2C)cc(OC)c1
529738,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,354.15607,[M+H]+,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529739,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,354.15607,[M+H]+,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529740,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,354.15607,[M+H]+,60.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529741,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,354.15607,[M+H]+,30.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529742,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,354.15607,[M+H]+,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529743,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,354.15607,[M+H]+,60.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529744,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,354.15607,[M+H]+,30.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529745,COc1cc(NC(=O)NCc2c(-n3ccnc3)nccc2)c(OC)cc1,354.15607,[M+H]+,20.0,test,COc1ccc(OC)c(NC(=O)NCc2cccnc2-n2ccnc2)c1
529746,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,352.14151,[M-H]-,20.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529747,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,352.14151,[M-H]-,20.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529748,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,352.14151,[M-H]-,60.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529749,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,352.14151,[M-H]-,30.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529750,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,352.14151,[M-H]-,20.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529751,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,352.14151,[M-H]-,60.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529752,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,352.14151,[M-H]-,30.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529753,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,352.14151,[M-H]-,20.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529754,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,354.15607,[M+H]+,20.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529755,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,354.15607,[M+H]+,20.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529756,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,354.15607,[M+H]+,60.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529757,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,354.15607,[M+H]+,30.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529758,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,354.15607,[M+H]+,20.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529759,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,354.15607,[M+H]+,60.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529760,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,354.15607,[M+H]+,30.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529761,COc1ccc(-c2noc(Nc3nc(N4CCOCC4)ncc3)c2)cc1,354.15607,[M+H]+,20.0,test,COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
529762,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,352.14151,[M-H]-,20.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529763,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,352.14151,[M-H]-,20.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529764,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,352.14151,[M-H]-,60.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529765,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,352.14151,[M-H]-,30.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529766,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,352.14151,[M-H]-,20.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529767,COC(=O)c1c(N)n(-c2cc(Oc3c(C)ccc(C)c3)nc(C)n2)nc1,354.15607,[M+H]+,20.0,test,COC(=O)c1cnn(-c2cc(Oc3cc(C)ccc3C)nc(C)n2)c1N
529768,COC(=O)c1c(N)n(-c2cc(Oc3c(C)ccc(C)c3)nc(C)n2)nc1,354.15607,[M+H]+,20.0,test,COC(=O)c1cnn(-c2cc(Oc3cc(C)ccc3C)nc(C)n2)c1N
529769,COC(=O)c1c(N)n(-c2cc(Oc3c(C)ccc(C)c3)nc(C)n2)nc1,354.15607,[M+H]+,60.0,test,COC(=O)c1cnn(-c2cc(Oc3cc(C)ccc3C)nc(C)n2)c1N
529770,COC(=O)c1c(N)n(-c2cc(Oc3c(C)ccc(C)c3)nc(C)n2)nc1,354.15607,[M+H]+,30.0,test,COC(=O)c1cnn(-c2cc(Oc3cc(C)ccc3C)nc(C)n2)c1N
529771,COC(=O)c1c(N)n(-c2cc(Oc3c(C)ccc(C)c3)nc(C)n2)nc1,354.15607,[M+H]+,20.0,test,COC(=O)c1cnn(-c2cc(Oc3cc(C)ccc3C)nc(C)n2)c1N
529772,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,354.15607,[M+H]+,20.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529773,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,354.15607,[M+H]+,20.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529774,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,354.15607,[M+H]+,60.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529775,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,354.15607,[M+H]+,30.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529776,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,354.15607,[M+H]+,20.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529777,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,354.15607,[M+H]+,60.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529778,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,354.15607,[M+H]+,30.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529779,COc1c(OC)cc(C2N=C(N)Nc3nc4ccccc4n32)c(OC)c1,354.15607,[M+H]+,20.0,test,COc1cc(OC)c(C2N=C(N)Nc3nc4ccccc4n32)cc1OC
529780,CNc1nc(SCC(N)=O)nc2nc3c(CCCC3)c(-c3cccs3)c12,386.11038,[M+H]+,20.0,test,CNc1nc(SCC(N)=O)nc2nc3c(c(-c4cccs4)c12)CCCC3
529781,CNc1nc(SCC(N)=O)nc2nc3c(CCCC3)c(-c3cccs3)c12,386.11038,[M+H]+,20.0,test,CNc1nc(SCC(N)=O)nc2nc3c(c(-c4cccs4)c12)CCCC3
529782,CNc1nc(SCC(N)=O)nc2nc3c(CCCC3)c(-c3cccs3)c12,386.11038,[M+H]+,60.0,test,CNc1nc(SCC(N)=O)nc2nc3c(c(-c4cccs4)c12)CCCC3
529783,CNc1nc(SCC(N)=O)nc2nc3c(CCCC3)c(-c3cccs3)c12,386.11038,[M+H]+,20.0,test,CNc1nc(SCC(N)=O)nc2nc3c(c(-c4cccs4)c12)CCCC3
529784,CNc1nc(SCC(N)=O)nc2nc3c(CCCC3)c(-c3cccs3)c12,386.11038,[M+H]+,45.0,test,CNc1nc(SCC(N)=O)nc2nc3c(c(-c4cccs4)c12)CCCC3
529785,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,320.13283,[M+H-H2O]+,20.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529786,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,320.13283,[M+H-H2O]+,20.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529787,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,320.13283,[M+H-H2O]+,45.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529788,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,320.13283,[M+H-H2O]+,60.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529789,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,320.13283,[M+H-H2O]+,20.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529790,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,338.14339,[M+H]+,20.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529791,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,338.14339,[M+H]+,20.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529792,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,338.14339,[M+H]+,60.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529793,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,338.14339,[M+H]+,15.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529794,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1,338.14339,[M+H]+,20.0,test,c1ccc2c(N3CCN(c4ncnc5c4CCC5)CC3)nsc2c1
529795,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1,338.14339,[M+H]+,20.0,test,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1
529796,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1,338.14339,[M+H]+,20.0,test,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1
529797,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1,338.14339,[M+H]+,60.0,test,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1
529798,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1,338.14339,[M+H]+,20.0,test,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1
529799,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1,338.14339,[M+H]+,60.0,test,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1
529800,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1,338.14339,[M+H]+,20.0,test,Cc1ccc(N2CC3CN(c4nc5ccccc5s4)CC3C2)nn1
529801,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529802,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529803,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,60.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529804,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529805,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,60.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529806,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529807,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529808,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,45.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529809,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,60.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529810,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529811,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,60.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529812,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,45.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529813,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1,338.14339,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nnc(C5CC5)s4)CC3)ccc2c1
529814,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1,338.14339,[M+H]+,20.0,test,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1
529815,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1,338.14339,[M+H]+,20.0,test,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1
529816,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1,338.14339,[M+H]+,60.0,test,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1
529817,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1,338.14339,[M+H]+,20.0,test,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1
529818,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1,338.14339,[M+H]+,20.0,test,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1
529819,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1,338.14339,[M+H]+,60.0,test,c1ccc2c(N3CCN(c4ccnc(C5CC5)n4)CC3)nsc2c1
529820,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,348.15783,[M-H]-,20.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529821,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,348.15783,[M-H]-,20.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529822,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,348.15783,[M-H]-,60.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529823,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,348.15783,[M-H]-,20.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529824,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,348.15783,[M-H]-,45.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529825,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,348.15783,[M-H]-,60.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529826,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,348.15783,[M-H]-,20.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529827,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,348.15783,[M-H]-,45.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529828,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,348.15783,[M-H]-,20.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529829,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,348.15783,[M-H]-,20.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529830,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,348.15783,[M-H]-,60.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529831,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,348.15783,[M-H]-,20.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529832,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,348.15783,[M-H]-,45.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529833,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,348.15783,[M-H]-,60.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529834,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,348.15783,[M-H]-,20.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529835,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,348.15783,[M-H]-,45.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529836,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,350.17238,[M+H]+,20.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529837,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,350.17238,[M+H]+,20.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529838,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,350.17238,[M+H]+,60.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529839,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,350.17238,[M+H]+,30.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529840,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,350.17238,[M+H]+,20.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529841,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,350.17238,[M+H]+,60.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529842,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,350.17238,[M+H]+,30.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529843,O=C(Nc1cnc(-n2nccn2)cc1)N1CCC(c2cnccc2)CC1,350.17238,[M+H]+,20.0,test,O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(c2cccnc2)CC1
529844,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,350.17238,[M+H]+,20.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529845,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,350.17238,[M+H]+,20.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529846,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,350.17238,[M+H]+,60.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529847,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,350.17238,[M+H]+,20.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529848,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,350.17238,[M+H]+,45.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529849,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,350.17238,[M+H]+,60.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529850,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,350.17238,[M+H]+,20.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529851,Cc1cc(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c(C)cc1,350.17238,[M+H]+,45.0,test,Cc1ccc(C)c(-n2ncc(Nc3nc4c(cnn4C)c(=O)[nH]3)c2C)c1
529852,O=C1CC2(CN(c3c4cnn(-c5ccccc5)c4ncn3)C2)NCCN1,350.17238,[M+H]+,20.0,test,O=C1CC2(CN(c3ncnc4c3cnn4-c3ccccc3)C2)NCCN1
529853,O=C1CC2(CN(c3c4cnn(-c5ccccc5)c4ncn3)C2)NCCN1,350.17238,[M+H]+,20.0,test,O=C1CC2(CN(c3ncnc4c3cnn4-c3ccccc3)C2)NCCN1
529854,O=C1CC2(CN(c3c4cnn(-c5ccccc5)c4ncn3)C2)NCCN1,350.17238,[M+H]+,60.0,test,O=C1CC2(CN(c3ncnc4c3cnn4-c3ccccc3)C2)NCCN1
529855,O=C1CC2(CN(c3c4cnn(-c5ccccc5)c4ncn3)C2)NCCN1,350.17238,[M+H]+,30.0,test,O=C1CC2(CN(c3ncnc4c3cnn4-c3ccccc3)C2)NCCN1
529856,O=C1CC2(CN(c3c4cnn(-c5ccccc5)c4ncn3)C2)NCCN1,350.17238,[M+H]+,20.0,test,O=C1CC2(CN(c3ncnc4c3cnn4-c3ccccc3)C2)NCCN1
529857,O=C1CC2(CN(c3c4cnn(-c5ccccc5)c4ncn3)C2)NCCN1,350.17238,[M+H]+,60.0,test,O=C1CC2(CN(c3ncnc4c3cnn4-c3ccccc3)C2)NCCN1
529858,O=C1CC2(CN(c3c4cnn(-c5ccccc5)c4ncn3)C2)NCCN1,350.17238,[M+H]+,30.0,test,O=C1CC2(CN(c3ncnc4c3cnn4-c3ccccc3)C2)NCCN1
529859,O=C1CC2(CN(c3c4cnn(-c5ccccc5)c4ncn3)C2)NCCN1,350.17238,[M+H]+,20.0,test,O=C1CC2(CN(c3ncnc4c3cnn4-c3ccccc3)C2)NCCN1
529860,CCN(C(=O)C1CN(c2ncnc(-n3cncn3)c2)C1)c1ccccc1,350.17238,[M+H]+,20.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529861,CCN(C(=O)C1CN(c2ncnc(-n3cncn3)c2)C1)c1ccccc1,350.17238,[M+H]+,20.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529862,CCN(C(=O)C1CN(c2ncnc(-n3cncn3)c2)C1)c1ccccc1,350.17238,[M+H]+,60.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529863,CCN(C(=O)C1CN(c2ncnc(-n3cncn3)c2)C1)c1ccccc1,350.17238,[M+H]+,20.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529864,CCN(C(=O)C1CN(c2ncnc(-n3cncn3)c2)C1)c1ccccc1,350.17238,[M+H]+,45.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529865,CCN(C(=O)C1CN(c2ncnc(-n3cncn3)c2)C1)c1ccccc1,350.17238,[M+H]+,60.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529866,CCN(C(=O)C1CN(c2ncnc(-n3cncn3)c2)C1)c1ccccc1,350.17238,[M+H]+,20.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529867,CCN(C(=O)C1CN(c2ncnc(-n3cncn3)c2)C1)c1ccccc1,350.17238,[M+H]+,45.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529868,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1,350.17238,[M+H]+,20.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529869,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1,350.17238,[M+H]+,20.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529870,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1,350.17238,[M+H]+,60.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529871,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1,350.17238,[M+H]+,30.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529872,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1,350.17238,[M+H]+,20.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529873,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1,350.17238,[M+H]+,45.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529874,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1,350.17238,[M+H]+,60.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529875,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1,350.17238,[M+H]+,20.0,test,CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1
529876,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1,350.17238,[M+H]+,20.0,test,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1
529877,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1,350.17238,[M+H]+,20.0,test,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1
529878,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1,350.17238,[M+H]+,60.0,test,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1
529879,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1,350.17238,[M+H]+,30.0,test,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1
529880,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1,350.17238,[M+H]+,20.0,test,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1
529881,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1,350.17238,[M+H]+,30.0,test,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1
529882,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1,350.17238,[M+H]+,60.0,test,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1
529883,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1,350.17238,[M+H]+,20.0,test,Cc1cn2nc(OCC3CCN(c4nccc(C#N)n4)CC3)ccc2n1
529884,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1,350.17238,[M+H]+,20.0,test,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1
529885,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1,350.17238,[M+H]+,20.0,test,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1
529886,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1,350.17238,[M+H]+,60.0,test,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1
529887,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1,350.17238,[M+H]+,15.0,test,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1
529888,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1,350.17238,[M+H]+,20.0,test,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1
529889,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1,350.17238,[M+H]+,60.0,test,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1
529890,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1,350.17238,[M+H]+,20.0,test,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1
529891,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1,350.17238,[M+H]+,15.0,test,c1cn2nc(OCC3CCN(c4ccn5nccc5n4)CC3)ccc2n1
529892,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1,350.17238,[M+H]+,20.0,test,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1
529893,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1,350.17238,[M+H]+,20.0,test,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1
529894,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1,350.17238,[M+H]+,60.0,test,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1
529895,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1,350.17238,[M+H]+,30.0,test,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1
529896,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1,350.17238,[M+H]+,20.0,test,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1
529897,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1,350.17238,[M+H]+,30.0,test,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1
529898,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1,350.17238,[M+H]+,60.0,test,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1
529899,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1,350.17238,[M+H]+,20.0,test,Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1
529900,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21,350.17238,[M+H]+,20.0,test,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21
529901,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21,350.17238,[M+H]+,20.0,test,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21
529902,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21,350.17238,[M+H]+,45.0,test,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21
529903,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21,350.17238,[M+H]+,60.0,test,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21
529904,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21,350.17238,[M+H]+,20.0,test,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21
529905,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21,350.17238,[M+H]+,45.0,test,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21
529906,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21,350.17238,[M+H]+,60.0,test,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21
529907,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21,350.17238,[M+H]+,20.0,test,CCn1cnc2c(N3CCN(c4nc5ccccc5o4)CC3)ncnc21
529908,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1,330.09808,[M+H]+,20.0,test,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1
529909,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1,330.09808,[M+H]+,20.0,test,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1
529910,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1,330.09808,[M+H]+,60.0,test,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1
529911,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1,330.09808,[M+H]+,20.0,test,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1
529912,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1,330.09808,[M+H]+,20.0,test,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1
529913,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1,330.09808,[M+H]+,60.0,test,CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1
529914,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,429.05151,[M-H]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529915,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,429.05151,[M-H]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529916,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,429.05151,[M-H]-,60.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529917,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,429.05151,[M-H]-,15.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529918,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,429.05151,[M-H]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529919,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,465.02819,[M+Cl]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529920,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,465.02819,[M+Cl]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529921,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,465.02819,[M+Cl]-,60.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529922,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,465.02819,[M+Cl]-,15.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529923,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,465.02819,[M+Cl]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529924,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,475.05699,[M+FA]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529925,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,475.05699,[M+FA]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529926,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,475.05699,[M+FA]-,60.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529927,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,475.05699,[M+FA]-,15.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529928,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,475.05699,[M+FA]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529929,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,475.05699,[M+FA]-,60.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529930,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,475.05699,[M+FA]-,15.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529931,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,475.05699,[M+FA]-,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529932,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,431.06607,[M+H]+,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529933,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,431.06607,[M+H]+,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529934,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,431.06607,[M+H]+,60.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529935,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,431.06607,[M+H]+,30.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529936,CS(=O)(=O)N(CC(=O)NCCSCc1cc(Cl)ccc1)c1ccc(F)cc1,431.06607,[M+H]+,20.0,test,CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1
529937,CCc1c(C(=O)N2CCNCC2c2cc(Cl)ccc2)nccc1,330.13677,[M+H]+,20.0,test,CCc1cccnc1C(=O)N1CCNCC1c1cccc(Cl)c1
529938,CCc1c(C(=O)N2CCNCC2c2cc(Cl)ccc2)nccc1,330.13677,[M+H]+,20.0,test,CCc1cccnc1C(=O)N1CCNCC1c1cccc(Cl)c1
529939,CCc1c(C(=O)N2CCNCC2c2cc(Cl)ccc2)nccc1,330.13677,[M+H]+,60.0,test,CCc1cccnc1C(=O)N1CCNCC1c1cccc(Cl)c1
529940,CCc1c(C(=O)N2CCNCC2c2cc(Cl)ccc2)nccc1,330.13677,[M+H]+,30.0,test,CCc1cccnc1C(=O)N1CCNCC1c1cccc(Cl)c1
529941,CCc1c(C(=O)N2CCNCC2c2cc(Cl)ccc2)nccc1,330.13677,[M+H]+,20.0,test,CCc1cccnc1C(=O)N1CCNCC1c1cccc(Cl)c1
529942,CCc1c(C(=O)N2CCNCC2c2cc(Cl)ccc2)nccc1,330.13677,[M+H]+,60.0,test,CCc1cccnc1C(=O)N1CCNCC1c1cccc(Cl)c1
529943,CCc1c(C(=O)N2CCNCC2c2cc(Cl)ccc2)nccc1,330.13677,[M+H]+,30.0,test,CCc1cccnc1C(=O)N1CCNCC1c1cccc(Cl)c1
529944,CCc1c(C(=O)N2CCNCC2c2cc(Cl)ccc2)nccc1,330.13677,[M+H]+,20.0,test,CCc1cccnc1C(=O)N1CCNCC1c1cccc(Cl)c1
529945,CCc1cc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)ncc1,330.13677,[M+H]+,20.0,test,CCc1ccnc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)c1
529946,CCc1cc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)ncc1,330.13677,[M+H]+,20.0,test,CCc1ccnc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)c1
529947,CCc1cc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)ncc1,330.13677,[M+H]+,60.0,test,CCc1ccnc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)c1
529948,CCc1cc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)ncc1,330.13677,[M+H]+,30.0,test,CCc1ccnc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)c1
529949,CCc1cc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)ncc1,330.13677,[M+H]+,20.0,test,CCc1ccnc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)c1
529950,CCc1cc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)ncc1,330.13677,[M+H]+,60.0,test,CCc1ccnc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)c1
529951,CCc1cc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)ncc1,330.13677,[M+H]+,30.0,test,CCc1ccnc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)c1
529952,CCc1cc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)ncc1,330.13677,[M+H]+,20.0,test,CCc1ccnc(C(=O)N2CCNC(c3ccc(Cl)cc3)C2)c1
529953,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl,330.13677,[M+H]+,20.0,test,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl
529954,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl,330.13677,[M+H]+,20.0,test,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl
529955,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl,330.13677,[M+H]+,30.0,test,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl
529956,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl,330.13677,[M+H]+,60.0,test,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl
529957,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl,330.13677,[M+H]+,15.0,test,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl
529958,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl,330.13677,[M+H]+,20.0,test,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl
529959,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl,330.13677,[M+H]+,60.0,test,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl
529960,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl,330.13677,[M+H]+,20.0,test,O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl
529961,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1,330.13677,[M+H]+,20.0,test,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1
529962,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1,330.13677,[M+H]+,20.0,test,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1
529963,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1,330.13677,[M+H]+,45.0,test,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1
529964,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1,330.13677,[M+H]+,60.0,test,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1
529965,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1,330.13677,[M+H]+,20.0,test,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1
529966,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1,330.13677,[M+H]+,20.0,test,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1
529967,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1,330.13677,[M+H]+,60.0,test,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1
529968,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1,330.13677,[M+H]+,45.0,test,CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2ccccn2)C1
529969,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl,330.13677,[M+H]+,20.0,test,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl
529970,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl,330.13677,[M+H]+,20.0,test,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl
529971,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl,330.13677,[M+H]+,60.0,test,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl
529972,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl,330.13677,[M+H]+,30.0,test,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl
529973,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl,330.13677,[M+H]+,20.0,test,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl
529974,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl,330.13677,[M+H]+,60.0,test,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl
529975,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl,330.13677,[M+H]+,20.0,test,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl
529976,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl,330.13677,[M+H]+,30.0,test,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl
529977,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,376.0892,[M-H]-,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529978,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,376.0892,[M-H]-,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529979,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,376.0892,[M-H]-,60.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529980,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,376.0892,[M-H]-,30.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529981,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,376.0892,[M-H]-,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529982,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,376.0892,[M-H]-,60.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529983,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,376.0892,[M-H]-,30.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529984,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,376.0892,[M-H]-,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529985,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,412.06588,[M+Cl]-,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529986,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,412.06588,[M+Cl]-,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529987,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,412.06588,[M+Cl]-,60.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529988,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,412.06588,[M+Cl]-,15.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529989,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,412.06588,[M+Cl]-,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529990,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,378.10375,[M+H]+,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529991,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,378.10375,[M+H]+,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529992,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,378.10375,[M+H]+,60.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529993,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,378.10375,[M+H]+,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529994,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,378.10375,[M+H]+,45.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529995,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,378.10375,[M+H]+,60.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529996,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,378.10375,[M+H]+,20.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529997,Cc1cc2c(cc1)cc(S(=O)(=O)NCCn1nc(C)c(Cl)c1C)cc2,378.10375,[M+H]+,45.0,test,Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1
529998,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,422.11244,[M+FA]-,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
529999,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,422.11244,[M+FA]-,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530000,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,422.11244,[M+FA]-,60.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530001,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,422.11244,[M+FA]-,15.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530002,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,422.11244,[M+FA]-,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530003,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,378.12151,[M+H]+,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530004,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,378.12151,[M+H]+,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530005,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,378.12151,[M+H]+,60.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530006,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,378.12151,[M+H]+,30.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530007,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3c(cc(Cl)cc3)C2)o1,378.12151,[M+H]+,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2COc3ccc(Cl)cc3C2)o1
530008,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530009,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530010,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,60.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530011,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530012,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,45.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530013,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,60.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530014,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530015,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,45.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530016,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530017,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530018,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,60.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530019,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530020,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,45.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530021,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530022,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530023,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,60.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530024,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530025,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,45.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530026,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,60.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530027,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,20.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530028,NC1(Cc2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,342.148,[M+H]+,45.0,test,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
530029,Cc1cc(N2CCC(C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1,342.148,[M+H]+,60.0,test,Cc1cc(N2CCC(C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1
530030,Cc1cc(N2CCC(C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1,342.148,[M+H]+,60.0,test,Cc1cc(N2CCC(C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1
530031,Cc1cc(N2CCC(C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1,342.148,[M+H]+,60.0,test,Cc1cc(N2CCC(C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1
530032,Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(Sc2nnnn2CCN(C)C)c1,462.10444,[M+H]+,20.0,test,Cc1cc(Sc2nnnn2CCN(C)C)n2nc(SCc3ccc(Cl)cc3)nc2n1
530033,Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(Sc2nnnn2CCN(C)C)c1,462.10444,[M+H]+,20.0,test,Cc1cc(Sc2nnnn2CCN(C)C)n2nc(SCc3ccc(Cl)cc3)nc2n1
530034,Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(Sc2nnnn2CCN(C)C)c1,462.10444,[M+H]+,60.0,test,Cc1cc(Sc2nnnn2CCN(C)C)n2nc(SCc3ccc(Cl)cc3)nc2n1
530035,Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(Sc2nnnn2CCN(C)C)c1,462.10444,[M+H]+,15.0,test,Cc1cc(Sc2nnnn2CCN(C)C)n2nc(SCc3ccc(Cl)cc3)nc2n1
530036,Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(Sc2nnnn2CCN(C)C)c1,462.10444,[M+H]+,20.0,test,Cc1cc(Sc2nnnn2CCN(C)C)n2nc(SCc3ccc(Cl)cc3)nc2n1
530037,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,334.12045,[M+H]+,20.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530038,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,334.12045,[M+H]+,20.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530039,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,334.12045,[M+H]+,60.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530040,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,334.12045,[M+H]+,30.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530041,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,334.12045,[M+H]+,20.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530042,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,334.12045,[M+H]+,30.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530043,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,334.12045,[M+H]+,60.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530044,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,334.12045,[M+H]+,20.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530045,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,356.10239,[M+Na]+,20.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530046,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,356.10239,[M+Na]+,20.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530047,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,356.10239,[M+Na]+,60.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530048,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,356.10239,[M+Na]+,30.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530049,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1,356.10239,[M+Na]+,20.0,test,CC1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1
530050,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1,395.15254,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1
530051,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1,395.15254,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1
530052,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1,395.15254,[M+H]+,15.0,test,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1
530053,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1,395.15254,[M+H]+,60.0,test,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1
530054,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1,395.15254,[M+H]+,30.0,test,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1
530055,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1,395.15254,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1
530056,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1,395.15254,[M+H]+,60.0,test,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1
530057,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1,395.15254,[M+H]+,20.0,test,Cc1noc(C2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1
530058,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1,403.18009,[M+H]+,20.0,test,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1
530059,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1,403.18009,[M+H]+,20.0,test,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1
530060,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1,403.18009,[M+H]+,60.0,test,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1
530061,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1,403.18009,[M+H]+,30.0,test,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1
530062,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1,403.18009,[M+H]+,20.0,test,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1
530063,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1,403.18009,[M+H]+,60.0,test,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1
530064,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1,403.18009,[M+H]+,30.0,test,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1
530065,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1,403.18009,[M+H]+,20.0,test,Cn1cc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c(C(F)F)n1
530066,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1,416.12502,[M+H]+,20.0,test,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1
530067,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1,416.12502,[M+H]+,20.0,test,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1
530068,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1,416.12502,[M+H]+,60.0,test,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1
530069,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1,416.12502,[M+H]+,30.0,test,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1
530070,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1,416.12502,[M+H]+,20.0,test,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1
530071,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1,416.12502,[M+H]+,30.0,test,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1
530072,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1,416.12502,[M+H]+,60.0,test,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1
530073,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1,416.12502,[M+H]+,20.0,test,Cc1ccc(OCC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1
530074,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1,416.12502,[M+H]+,20.0,test,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1
530075,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1,416.12502,[M+H]+,20.0,test,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1
530076,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1,416.12502,[M+H]+,60.0,test,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1
530077,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1,416.12502,[M+H]+,30.0,test,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1
530078,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1,416.12502,[M+H]+,20.0,test,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1
530079,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1,416.12502,[M+H]+,30.0,test,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1
530080,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1,416.12502,[M+H]+,60.0,test,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1
530081,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1,416.12502,[M+H]+,20.0,test,CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1
530082,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1,384.13519,[M+H]+,20.0,test,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
530083,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1,384.13519,[M+H]+,20.0,test,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
530084,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1,384.13519,[M+H]+,60.0,test,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
530085,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1,384.13519,[M+H]+,30.0,test,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
530086,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1,384.13519,[M+H]+,20.0,test,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
530087,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1,384.13519,[M+H]+,60.0,test,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
530088,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1,384.13519,[M+H]+,30.0,test,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
530089,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1,384.13519,[M+H]+,20.0,test,O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
530090,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,312.15176,[M-H]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530091,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,312.15176,[M-H]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530092,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,312.15176,[M-H]-,60.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530093,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,312.15176,[M-H]-,15.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530094,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,312.15176,[M-H]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530095,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,348.12844,[M+Cl]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530096,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,348.12844,[M+Cl]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530097,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,348.12844,[M+Cl]-,60.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530098,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,348.12844,[M+Cl]-,15.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530099,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,348.12844,[M+Cl]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530100,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,358.15724,[M+FA]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530101,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,358.15724,[M+FA]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530102,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,358.15724,[M+FA]-,60.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530103,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,358.15724,[M+FA]-,15.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530104,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,358.15724,[M+FA]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530105,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,358.15724,[M+FA]-,60.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530106,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,358.15724,[M+FA]-,15.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530107,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,358.15724,[M+FA]-,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530108,CN(C)c1ncc(C(=O)N2CCC(c3ccccc3F)C2)cc1,314.16632,[M+H]+,20.0,test,CN(C)c1ccc(C(=O)N2CCC(c3ccccc3F)C2)cn1
530109,CN(C)c1ncc(C(=O)N2CCC(c3ccccc3F)C2)cc1,314.16632,[M+H]+,20.0,test,CN(C)c1ccc(C(=O)N2CCC(c3ccccc3F)C2)cn1
530110,CN(C)c1ncc(C(=O)N2CCC(c3ccccc3F)C2)cc1,314.16632,[M+H]+,60.0,test,CN(C)c1ccc(C(=O)N2CCC(c3ccccc3F)C2)cn1
530111,CN(C)c1ncc(C(=O)N2CCC(c3ccccc3F)C2)cc1,314.16632,[M+H]+,20.0,test,CN(C)c1ccc(C(=O)N2CCC(c3ccccc3F)C2)cn1
530112,CN(C)c1ncc(C(=O)N2CCC(c3ccccc3F)C2)cc1,314.16632,[M+H]+,45.0,test,CN(C)c1ccc(C(=O)N2CCC(c3ccccc3F)C2)cn1
530113,CN(C)c1ncc(C(=O)N2CCC(c3ccccc3F)C2)cc1,314.16632,[M+H]+,60.0,test,CN(C)c1ccc(C(=O)N2CCC(c3ccccc3F)C2)cn1
530114,CN(C)c1ncc(C(=O)N2CCC(c3ccccc3F)C2)cc1,314.16632,[M+H]+,20.0,test,CN(C)c1ccc(C(=O)N2CCC(c3ccccc3F)C2)cn1
530115,CN(C)c1ncc(C(=O)N2CCC(c3ccccc3F)C2)cc1,314.16632,[M+H]+,45.0,test,CN(C)c1ccc(C(=O)N2CCC(c3ccccc3F)C2)cn1
530116,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,314.16632,[M+H]+,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530117,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,314.16632,[M+H]+,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530118,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,314.16632,[M+H]+,30.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530119,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,314.16632,[M+H]+,60.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530120,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,314.16632,[M+H]+,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530121,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,314.16632,[M+H]+,45.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530122,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,314.16632,[M+H]+,60.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530123,Cc1c(-c2ccncc2)ccc(NC(=O)NC2CC(C)(F)C2)c1,314.16632,[M+H]+,20.0,test,Cc1cc(NC(=O)NC2CC(C)(F)C2)ccc1-c1ccncc1
530124,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1,314.16632,[M+H]+,20.0,test,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1
530125,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1,314.16632,[M+H]+,20.0,test,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1
530126,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1,314.16632,[M+H]+,45.0,test,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1
530127,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1,314.16632,[M+H]+,60.0,test,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1
530128,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1,314.16632,[M+H]+,20.0,test,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1
530129,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1,314.16632,[M+H]+,20.0,test,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1
530130,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1,314.16632,[M+H]+,60.0,test,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1
530131,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1,314.16632,[M+H]+,45.0,test,CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1
530132,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,340.15791,[M-H]-,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530133,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,340.15791,[M-H]-,60.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530134,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,340.15791,[M-H]-,30.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530135,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,340.15791,[M-H]-,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530136,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,340.15791,[M-H]-,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530137,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,340.15791,[M-H]-,30.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530138,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,340.15791,[M-H]-,60.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530139,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,386.16339,[M+FA]-,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530140,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,386.16339,[M+FA]-,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530141,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,386.16339,[M+FA]-,60.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530142,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,386.16339,[M+FA]-,15.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530143,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,386.16339,[M+FA]-,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530144,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,386.16339,[M+FA]-,15.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530145,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,386.16339,[M+FA]-,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530146,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,386.16339,[M+FA]-,60.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530147,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F,342.17246,[M+H]+,20.0,test,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F
530148,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F,342.17246,[M+H]+,20.0,test,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F
530149,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F,342.17246,[M+H]+,60.0,test,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F
530150,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F,342.17246,[M+H]+,30.0,test,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F
530151,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F,342.17246,[M+H]+,20.0,test,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F
530152,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F,342.17246,[M+H]+,30.0,test,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F
530153,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F,342.17246,[M+H]+,60.0,test,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F
530154,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F,342.17246,[M+H]+,20.0,test,CCc1ncnc(N2CCCC(COc3cc(C#N)ccn3)C2)c1F
530155,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,342.17246,[M+H]+,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530156,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,342.17246,[M+H]+,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530157,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,342.17246,[M+H]+,60.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530158,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,342.17246,[M+H]+,30.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530159,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,342.17246,[M+H]+,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530160,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,342.17246,[M+H]+,60.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530161,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,342.17246,[M+H]+,30.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530162,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,342.17246,[M+H]+,20.0,test,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
530163,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1,342.17246,[M+H]+,20.0,test,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1
530164,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1,342.17246,[M+H]+,20.0,test,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1
530165,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1,342.17246,[M+H]+,15.0,test,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1
530166,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1,342.17246,[M+H]+,60.0,test,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1
530167,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1,342.17246,[M+H]+,20.0,test,Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1
530168,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1,300.14053,[M-H]-,20.0,test,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
530169,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1,300.14053,[M-H]-,20.0,test,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
530170,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1,300.14053,[M-H]-,60.0,test,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
530171,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1,300.14053,[M-H]-,30.0,test,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
530172,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1,300.14053,[M-H]-,20.0,test,CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
530173,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C,346.14601,[M+FA]-,20.0,test,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C
530174,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C,346.14601,[M+FA]-,60.0,test,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C
530175,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C,346.14601,[M+FA]-,20.0,test,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C
530176,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1,302.15508,[M+H]+,20.0,test,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1
530177,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1,302.15508,[M+H]+,20.0,test,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1
530178,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1,302.15508,[M+H]+,60.0,test,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1
530179,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1,302.15508,[M+H]+,15.0,test,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1
530180,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1,302.15508,[M+H]+,20.0,test,COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1
530181,COc1cccc(CNC2CC2)c1OCc1ccccc1F,302.15508,[M+H]+,20.0,test,COc1cccc(CNC2CC2)c1OCc1ccccc1F
530182,COc1cccc(CNC2CC2)c1OCc1ccccc1F,302.15508,[M+H]+,20.0,test,COc1cccc(CNC2CC2)c1OCc1ccccc1F
530183,COc1cccc(CNC2CC2)c1OCc1ccccc1F,302.15508,[M+H]+,15.0,test,COc1cccc(CNC2CC2)c1OCc1ccccc1F
530184,COc1cccc(CNC2CC2)c1OCc1ccccc1F,302.15508,[M+H]+,60.0,test,COc1cccc(CNC2CC2)c1OCc1ccccc1F
530185,COc1cccc(CNC2CC2)c1OCc1ccccc1F,302.15508,[M+H]+,30.0,test,COc1cccc(CNC2CC2)c1OCc1ccccc1F
530186,COc1cccc(CNC2CC2)c1OCc1ccccc1F,302.15508,[M+H]+,20.0,test,COc1cccc(CNC2CC2)c1OCc1ccccc1F
530187,COc1cccc(CNC2CC2)c1OCc1ccccc1F,302.15508,[M+H]+,20.0,test,COc1cccc(CNC2CC2)c1OCc1ccccc1F
530188,COc1cccc(CNC2CC2)c1OCc1ccccc1F,302.15508,[M+H]+,60.0,test,COc1cccc(CNC2CC2)c1OCc1ccccc1F
530189,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C,302.15508,[M+H]+,20.0,test,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C
530190,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C,302.15508,[M+H]+,20.0,test,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C
530191,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C,302.15508,[M+H]+,45.0,test,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C
530192,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C,302.15508,[M+H]+,60.0,test,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C
530193,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C,302.15508,[M+H]+,20.0,test,COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C
530194,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1,302.15508,[M+H]+,15.0,test,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1
530195,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1,302.15508,[M+H]+,15.0,test,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1
530196,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1,302.15508,[M+H]+,20.0,test,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1
530197,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1,302.15508,[M+H]+,60.0,test,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1
530198,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1,302.15508,[M+H]+,15.0,test,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1
530199,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1,302.15508,[M+H]+,20.0,test,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1
530200,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1,302.15508,[M+H]+,15.0,test,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1
530201,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1,302.15508,[M+H]+,60.0,test,Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1
530202,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1,302.15508,[M+H]+,20.0,test,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1
530203,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1,302.15508,[M+H]+,20.0,test,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1
530204,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1,302.15508,[M+H]+,60.0,test,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1
530205,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1,302.15508,[M+H]+,30.0,test,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1
530206,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1,302.15508,[M+H]+,20.0,test,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1
530207,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1,302.15508,[M+H]+,60.0,test,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1
530208,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1,302.15508,[M+H]+,20.0,test,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1
530209,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1,302.15508,[M+H]+,30.0,test,CC(CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1
530210,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,20.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530211,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,20.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530212,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,60.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530213,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,20.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530214,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,45.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530215,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,60.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530216,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,20.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530217,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,45.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530218,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,20.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530219,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,20.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530220,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,60.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530221,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,20.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530222,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,45.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530223,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,60.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530224,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,20.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530225,CN1CCN2c3ccccc3Cc3ccccc3C2C1,265.16992,[M+H]+,45.0,test,CN1CCN2c3ccccc3Cc3ccccc3C2C1
530226,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,407.05633,[M-H]-,60.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530227,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,407.05633,[M-H]-,60.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530228,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,407.05633,[M-H]-,20.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530229,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,407.05633,[M-H]-,60.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530230,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,407.05633,[M-H]-,60.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530231,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,409.07088,[M+H]+,20.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530232,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,409.07088,[M+H]+,20.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530233,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,409.07088,[M+H]+,60.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530234,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,409.07088,[M+H]+,30.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530235,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2,409.07088,[M+H]+,20.0,test,CSc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
530236,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,423.05124,[M-H]-,20.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530237,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,423.05124,[M-H]-,20.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530238,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,423.05124,[M-H]-,60.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530239,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,423.05124,[M-H]-,30.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530240,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,423.05124,[M-H]-,20.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530241,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,469.05672,[M+FA]-,30.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530242,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,425.0658,[M+H]+,20.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530243,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,425.0658,[M+H]+,20.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530244,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,425.0658,[M+H]+,60.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530245,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,425.0658,[M+H]+,15.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530246,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1,425.0658,[M+H]+,20.0,test,O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2cccs2)C1
530247,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,429.15281,[M+FA]-,20.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530248,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,429.15281,[M+FA]-,60.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530249,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,429.15281,[M+FA]-,15.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530250,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,429.15281,[M+FA]-,20.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530251,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,429.15281,[M+FA]-,15.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530252,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,429.15281,[M+FA]-,20.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530253,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,385.16188,[M+H]+,20.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530254,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,385.16188,[M+H]+,20.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530255,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,385.16188,[M+H]+,60.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530256,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,385.16188,[M+H]+,30.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530257,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,385.16188,[M+H]+,20.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530258,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,385.16188,[M+H]+,60.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530259,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,385.16188,[M+H]+,30.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530260,Cn1cc(C(=O)NCC2CCN(C(=O)c3c(-c4nocc4)ocn3)CC2)cn1,385.16188,[M+H]+,20.0,test,Cn1cc(C(=O)NCC2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cn1
530261,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1,333.13326,[M+H]+,20.0,test,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1
530262,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1,333.13326,[M+H]+,20.0,test,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1
530263,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1,333.13326,[M+H]+,60.0,test,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1
530264,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1,333.13326,[M+H]+,30.0,test,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1
530265,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1,333.13326,[M+H]+,20.0,test,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1
530266,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1,333.13326,[M+H]+,30.0,test,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1
530267,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1,333.13326,[M+H]+,60.0,test,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1
530268,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1,333.13326,[M+H]+,20.0,test,COC(=O)c1ccc(OC)c(-c2c(OC)cc(OC)cc2OC)c1
530269,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,399.16385,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
530270,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,399.16385,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
530271,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,399.16385,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
530272,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,399.16385,[M+H]+,30.0,test,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
530273,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,399.16385,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
530274,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,399.16385,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
530275,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,399.16385,[M+H]+,30.0,test,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
530276,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,399.16385,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
530277,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1,313.1823,[M+H]+,20.0,test,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1
530278,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1,313.1823,[M+H]+,20.0,test,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1
530279,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1,313.1823,[M+H]+,60.0,test,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1
530280,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1,313.1823,[M+H]+,30.0,test,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1
530281,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1,313.1823,[M+H]+,20.0,test,Fc1ccc2ncnc(N3CC(N4CC5CCCC5C4)C3)c2c1
530282,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,327.16266,[M-H]-,20.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530283,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,327.16266,[M-H]-,20.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530284,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,327.16266,[M-H]-,60.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530285,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,327.16266,[M-H]-,20.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530286,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,327.16266,[M-H]-,45.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530287,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,327.16266,[M-H]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530288,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,327.16266,[M-H]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530289,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,327.16266,[M-H]-,60.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530290,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,327.16266,[M-H]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530291,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,327.16266,[M-H]-,45.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530292,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,327.16266,[M-H]-,60.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530293,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,327.16266,[M-H]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530294,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,327.16266,[M-H]-,45.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530295,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,363.13934,[M+Cl]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530296,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,363.13934,[M+Cl]-,15.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530297,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,363.13934,[M+Cl]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530298,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,373.16814,[M+FA]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530299,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,373.16814,[M+FA]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530300,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,373.16814,[M+FA]-,60.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530301,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,373.16814,[M+FA]-,15.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530302,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,373.16814,[M+FA]-,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530303,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,329.17722,[M+H]+,20.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530304,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,329.17722,[M+H]+,20.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530305,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,329.17722,[M+H]+,60.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530306,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,329.17722,[M+H]+,20.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530307,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,329.17722,[M+H]+,45.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530308,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,329.17722,[M+H]+,60.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530309,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,329.17722,[M+H]+,20.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530310,Cc1c(F)c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)ccc1,329.17722,[M+H]+,45.0,test,Cc1cccc(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)c1F
530311,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,329.17722,[M+H]+,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530312,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,329.17722,[M+H]+,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530313,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,329.17722,[M+H]+,60.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530314,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,329.17722,[M+H]+,30.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530315,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,329.17722,[M+H]+,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530316,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,329.17722,[M+H]+,60.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530317,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,329.17722,[M+H]+,30.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530318,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1,329.17722,[M+H]+,20.0,test,CCc1ncc(NC(=O)N2CCC(Cc3ccc(F)cc3)C2)cn1
530319,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2,329.17722,[M+H]+,20.0,test,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2
530320,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2,329.17722,[M+H]+,20.0,test,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2
530321,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2,329.17722,[M+H]+,60.0,test,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2
530322,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2,329.17722,[M+H]+,30.0,test,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2
530323,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2,329.17722,[M+H]+,20.0,test,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2
530324,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2,329.17722,[M+H]+,60.0,test,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2
530325,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2,329.17722,[M+H]+,30.0,test,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2
530326,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2,329.17722,[M+H]+,20.0,test,O=C(Nc1cc2ccccc2nn1)N1C2CCC1CC(CCF)C2
530327,CCn1nccc1CN1CCC(c2noc3c2ccc(F)c3)CC1,329.17722,[M+H]+,20.0,test,CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1
530328,CCn1nccc1CN1CCC(c2noc3c2ccc(F)c3)CC1,329.17722,[M+H]+,20.0,test,CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1
530329,CCn1nccc1CN1CCC(c2noc3c2ccc(F)c3)CC1,329.17722,[M+H]+,60.0,test,CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1
530330,CCn1nccc1CN1CCC(c2noc3c2ccc(F)c3)CC1,329.17722,[M+H]+,30.0,test,CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1
530331,CCn1nccc1CN1CCC(c2noc3c2ccc(F)c3)CC1,329.17722,[M+H]+,20.0,test,CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1
530332,CCn1nccc1CN1CCC(c2noc3c2ccc(F)c3)CC1,329.17722,[M+H]+,60.0,test,CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1
530333,CCn1nccc1CN1CCC(c2noc3c2ccc(F)c3)CC1,329.17722,[M+H]+,30.0,test,CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1
530334,CCn1nccc1CN1CCC(c2noc3c2ccc(F)c3)CC1,329.17722,[M+H]+,20.0,test,CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1
530335,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,373.16814,[M+FA]-,20.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530336,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,373.16814,[M+FA]-,20.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530337,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,373.16814,[M+FA]-,60.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530338,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,373.16814,[M+FA]-,15.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530339,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,373.16814,[M+FA]-,20.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530340,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,373.16814,[M+FA]-,15.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530341,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,373.16814,[M+FA]-,20.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530342,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,373.16814,[M+FA]-,60.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530343,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1,329.17722,[M+H]+,20.0,test,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1
530344,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1,329.17722,[M+H]+,20.0,test,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1
530345,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1,329.17722,[M+H]+,45.0,test,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1
530346,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1,329.17722,[M+H]+,60.0,test,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1
530347,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1,329.17722,[M+H]+,20.0,test,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1
530348,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1,329.17722,[M+H]+,60.0,test,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1
530349,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1,329.17722,[M+H]+,45.0,test,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1
530350,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1,329.17722,[M+H]+,20.0,test,Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1
530351,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1,329.17722,[M+H]+,20.0,test,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1
530352,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1,329.17722,[M+H]+,20.0,test,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1
530353,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1,329.17722,[M+H]+,60.0,test,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1
530354,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1,329.17722,[M+H]+,30.0,test,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1
530355,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1,329.17722,[M+H]+,20.0,test,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1
530356,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1,329.17722,[M+H]+,30.0,test,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1
530357,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1,329.17722,[M+H]+,60.0,test,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1
530358,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1,329.17722,[M+H]+,20.0,test,O=C(c1ccccc1F)N1CCCCC1c1nncn1CC1CC1
530359,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,329.17722,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530360,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,329.17722,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530361,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,329.17722,[M+H]+,60.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530362,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,329.17722,[M+H]+,30.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530363,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,329.17722,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530364,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,329.17722,[M+H]+,30.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530365,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,329.17722,[M+H]+,60.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530366,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2,329.17722,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)N1C2CCC1CC(n1cccn1)C2
530367,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1,377.1442,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1
530368,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1,377.1442,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1
530369,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1,377.1442,[M+H]+,60.0,test,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1
530370,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1,377.1442,[M+H]+,30.0,test,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1
530371,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1,377.1442,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1
530372,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1,377.1442,[M+H]+,60.0,test,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1
530373,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1,377.1442,[M+H]+,30.0,test,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1
530374,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1,377.1442,[M+H]+,20.0,test,O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOC3(CCC3)C2)s1
530375,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,339.1739,[M-H]-,20.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530376,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,339.1739,[M-H]-,20.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530377,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,339.1739,[M-H]-,60.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530378,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,339.1739,[M-H]-,30.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530379,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,339.1739,[M-H]-,20.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530380,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,341.18845,[M+H]+,20.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530381,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,341.18845,[M+H]+,20.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530382,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,341.18845,[M+H]+,60.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530383,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,341.18845,[M+H]+,30.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530384,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,341.18845,[M+H]+,20.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530385,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,341.18845,[M+H]+,60.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530386,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,341.18845,[M+H]+,30.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530387,CCn1nc(C)c(CN2CCc3c(nc[nH]3)C2c2ccc(F)cc2)n1,341.18845,[M+H]+,20.0,test,CCn1nc(C)c(CN2CCc3[nH]cnc3C2c2ccc(F)cc2)n1
530388,CCc1c(F)c(N2CCCN(c3nc4c(scc4)c(=O)n3C)CC2)ncn1,389.15544,[M+H]+,20.0,test,CCc1ncnc(N2CCCN(c3nc4ccsc4c(=O)n3C)CC2)c1F
530389,CCc1c(F)c(N2CCCN(c3nc4c(scc4)c(=O)n3C)CC2)ncn1,389.15544,[M+H]+,20.0,test,CCc1ncnc(N2CCCN(c3nc4ccsc4c(=O)n3C)CC2)c1F
530390,CCc1c(F)c(N2CCCN(c3nc4c(scc4)c(=O)n3C)CC2)ncn1,389.15544,[M+H]+,60.0,test,CCc1ncnc(N2CCCN(c3nc4ccsc4c(=O)n3C)CC2)c1F
530391,CCc1c(F)c(N2CCCN(c3nc4c(scc4)c(=O)n3C)CC2)ncn1,389.15544,[M+H]+,20.0,test,CCc1ncnc(N2CCCN(c3nc4ccsc4c(=O)n3C)CC2)c1F
530392,CCc1c(F)c(N2CCCN(c3nc4c(scc4)c(=O)n3C)CC2)ncn1,389.15544,[M+H]+,45.0,test,CCc1ncnc(N2CCCN(c3nc4ccsc4c(=O)n3C)CC2)c1F
530393,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530394,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530395,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,60.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530396,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530397,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,45.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530398,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,60.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530399,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530400,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,45.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530401,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530402,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530403,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,60.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530404,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530405,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,45.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530406,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,60.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530407,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530408,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,310.1561,[M-H]-,45.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530409,COc1ccc(CCC(=O)N2CCNc3c2cc(C)cn3)cc1,312.17065,[M+H]+,20.0,test,COc1ccc(CCC(=O)N2CCNc3ncc(C)cc32)cc1
530410,COc1ccc(CCC(=O)N2CCNc3c2cc(C)cn3)cc1,312.17065,[M+H]+,20.0,test,COc1ccc(CCC(=O)N2CCNc3ncc(C)cc32)cc1
530411,COc1ccc(CCC(=O)N2CCNc3c2cc(C)cn3)cc1,312.17065,[M+H]+,60.0,test,COc1ccc(CCC(=O)N2CCNc3ncc(C)cc32)cc1
530412,COc1ccc(CCC(=O)N2CCNc3c2cc(C)cn3)cc1,312.17065,[M+H]+,20.0,test,COc1ccc(CCC(=O)N2CCNc3ncc(C)cc32)cc1
530413,COc1ccc(CCC(=O)N2CCNc3c2cc(C)cn3)cc1,312.17065,[M+H]+,45.0,test,COc1ccc(CCC(=O)N2CCNc3ncc(C)cc32)cc1
530414,COC1CCCN(C(=O)Nc2c(-c3ccccc3)cncc2)C1,312.17065,[M+H]+,20.0,test,COC1CCCN(C(=O)Nc2ccncc2-c2ccccc2)C1
530415,COC1CCCN(C(=O)Nc2c(-c3ccccc3)cncc2)C1,312.17065,[M+H]+,20.0,test,COC1CCCN(C(=O)Nc2ccncc2-c2ccccc2)C1
530416,COC1CCCN(C(=O)Nc2c(-c3ccccc3)cncc2)C1,312.17065,[M+H]+,60.0,test,COC1CCCN(C(=O)Nc2ccncc2-c2ccccc2)C1
530417,COC1CCCN(C(=O)Nc2c(-c3ccccc3)cncc2)C1,312.17065,[M+H]+,30.0,test,COC1CCCN(C(=O)Nc2ccncc2-c2ccccc2)C1
530418,COC1CCCN(C(=O)Nc2c(-c3ccccc3)cncc2)C1,312.17065,[M+H]+,20.0,test,COC1CCCN(C(=O)Nc2ccncc2-c2ccccc2)C1
530419,COC1CCCN(C(=O)Nc2c(-c3ccccc3)cncc2)C1,312.17065,[M+H]+,60.0,test,COC1CCCN(C(=O)Nc2ccncc2-c2ccccc2)C1
530420,COC1CCCN(C(=O)Nc2c(-c3ccccc3)cncc2)C1,312.17065,[M+H]+,30.0,test,COC1CCCN(C(=O)Nc2ccncc2-c2ccccc2)C1
530421,COC1CCCN(C(=O)Nc2c(-c3ccccc3)cncc2)C1,312.17065,[M+H]+,20.0,test,COC1CCCN(C(=O)Nc2ccncc2-c2ccccc2)C1
530422,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,294.16009,[M+H-H2O]+,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530423,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,294.16009,[M+H-H2O]+,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530424,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,294.16009,[M+H-H2O]+,60.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530425,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,294.16009,[M+H-H2O]+,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530426,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,294.16009,[M+H-H2O]+,60.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530427,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,294.16009,[M+H-H2O]+,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530428,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,312.17065,[M+H]+,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530429,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,312.17065,[M+H]+,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530430,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,312.17065,[M+H]+,60.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530431,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,312.17065,[M+H]+,30.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530432,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,312.17065,[M+H]+,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530433,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,312.17065,[M+H]+,60.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530434,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,312.17065,[M+H]+,30.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530435,CN(CCCNc1c2NC(=O)COc2ccc1)c1ccccc1,312.17065,[M+H]+,20.0,test,CN(CCCNc1cccc2c1NC(=O)CO2)c1ccccc1
530436,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1,312.17065,[M+H]+,20.0,test,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1
530437,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1,312.17065,[M+H]+,20.0,test,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1
530438,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1,312.17065,[M+H]+,60.0,test,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1
530439,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1,312.17065,[M+H]+,15.0,test,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1
530440,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1,312.17065,[M+H]+,20.0,test,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1
530441,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1,312.17065,[M+H]+,45.0,test,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1
530442,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1,312.17065,[M+H]+,60.0,test,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1
530443,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1,312.17065,[M+H]+,20.0,test,Cc1cc(C)nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1
530444,CNC(=O)C1(NC(=O)c2nc3ccccc3c(C)c2)CCCC1,312.17065,[M+H]+,20.0,test,CNC(=O)C1(NC(=O)c2cc(C)c3ccccc3n2)CCCC1
530445,CNC(=O)C1(NC(=O)c2nc3ccccc3c(C)c2)CCCC1,312.17065,[M+H]+,20.0,test,CNC(=O)C1(NC(=O)c2cc(C)c3ccccc3n2)CCCC1
530446,CNC(=O)C1(NC(=O)c2nc3ccccc3c(C)c2)CCCC1,312.17065,[M+H]+,15.0,test,CNC(=O)C1(NC(=O)c2cc(C)c3ccccc3n2)CCCC1
530447,CNC(=O)C1(NC(=O)c2nc3ccccc3c(C)c2)CCCC1,312.17065,[M+H]+,60.0,test,CNC(=O)C1(NC(=O)c2cc(C)c3ccccc3n2)CCCC1
530448,CNC(=O)C1(NC(=O)c2nc3ccccc3c(C)c2)CCCC1,312.17065,[M+H]+,30.0,test,CNC(=O)C1(NC(=O)c2cc(C)c3ccccc3n2)CCCC1
530449,CNC(=O)C1(NC(=O)c2nc3ccccc3c(C)c2)CCCC1,312.17065,[M+H]+,20.0,test,CNC(=O)C1(NC(=O)c2cc(C)c3ccccc3n2)CCCC1
530450,CNC(=O)C1(NC(=O)c2nc3ccccc3c(C)c2)CCCC1,312.17065,[M+H]+,60.0,test,CNC(=O)C1(NC(=O)c2cc(C)c3ccccc3n2)CCCC1
530451,CNC(=O)C1(NC(=O)c2nc3ccccc3c(C)c2)CCCC1,312.17065,[M+H]+,20.0,test,CNC(=O)C1(NC(=O)c2cc(C)c3ccccc3n2)CCCC1
530452,CCC1(CC)CN(C(=O)c2nn(C)c(=O)cc2)c2ccccc21,312.17065,[M+H]+,30.0,test,CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc21
530453,CCC1(CC)CN(C(=O)c2nn(C)c(=O)cc2)c2ccccc21,312.17065,[M+H]+,30.0,test,CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc21
530454,CCC1(CC)CN(C(=O)c2nn(C)c(=O)cc2)c2ccccc21,312.17065,[M+H]+,20.0,test,CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc21
530455,CCC1(CC)CN(C(=O)c2nn(C)c(=O)cc2)c2ccccc21,312.17065,[M+H]+,60.0,test,CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc21
530456,CCC1(CC)CN(C(=O)c2nn(C)c(=O)cc2)c2ccccc21,312.17065,[M+H]+,30.0,test,CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc21
530457,CCC1(CC)CN(C(=O)c2nn(C)c(=O)cc2)c2ccccc21,312.17065,[M+H]+,20.0,test,CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc21
530458,CCC1(CC)CN(C(=O)c2nn(C)c(=O)cc2)c2ccccc21,312.17065,[M+H]+,60.0,test,CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc21
530459,CCC1(CC)CN(C(=O)c2nn(C)c(=O)cc2)c2ccccc21,312.17065,[M+H]+,30.0,test,CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc21
530460,CCOc1c(C(=O)N2CCC(Cc3ccncc3)C2)nccc1,312.17065,[M+H]+,20.0,test,CCOc1cccnc1C(=O)N1CCC(Cc2ccncc2)C1
530461,CCOc1c(C(=O)N2CCC(Cc3ccncc3)C2)nccc1,312.17065,[M+H]+,20.0,test,CCOc1cccnc1C(=O)N1CCC(Cc2ccncc2)C1
530462,CCOc1c(C(=O)N2CCC(Cc3ccncc3)C2)nccc1,312.17065,[M+H]+,60.0,test,CCOc1cccnc1C(=O)N1CCC(Cc2ccncc2)C1
530463,CCOc1c(C(=O)N2CCC(Cc3ccncc3)C2)nccc1,312.17065,[M+H]+,30.0,test,CCOc1cccnc1C(=O)N1CCC(Cc2ccncc2)C1
530464,CCOc1c(C(=O)N2CCC(Cc3ccncc3)C2)nccc1,312.17065,[M+H]+,20.0,test,CCOc1cccnc1C(=O)N1CCC(Cc2ccncc2)C1
530465,CCOc1c(C(=O)N2CCC(Cc3ccncc3)C2)nccc1,312.17065,[M+H]+,45.0,test,CCOc1cccnc1C(=O)N1CCC(Cc2ccncc2)C1
530466,CCOc1c(C(=O)N2CCC(Cc3ccncc3)C2)nccc1,312.17065,[M+H]+,60.0,test,CCOc1cccnc1C(=O)N1CCC(Cc2ccncc2)C1
530467,CCOc1c(C(=O)N2CCC(Cc3ccncc3)C2)nccc1,312.17065,[M+H]+,20.0,test,CCOc1cccnc1C(=O)N1CCC(Cc2ccncc2)C1
530468,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1,312.17065,[M+H]+,20.0,test,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1
530469,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1,312.17065,[M+H]+,20.0,test,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1
530470,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1,312.17065,[M+H]+,30.0,test,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1
530471,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1,312.17065,[M+H]+,60.0,test,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1
530472,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1,312.17065,[M+H]+,15.0,test,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1
530473,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1,312.17065,[M+H]+,20.0,test,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1
530474,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1,312.17065,[M+H]+,60.0,test,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1
530475,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1,312.17065,[M+H]+,20.0,test,CCN(CC1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1
530476,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,311.16338,[M]+,20.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530477,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,311.16338,[M]+,20.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530478,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,311.16338,[M]+,60.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530479,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,311.16338,[M]+,30.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530480,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,311.16338,[M]+,20.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530481,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,312.17065,[M+H]+,20.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530482,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,312.17065,[M+H]+,20.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530483,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,312.17065,[M+H]+,60.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530484,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,312.17065,[M+H]+,30.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530485,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,312.17065,[M+H]+,20.0,test,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
530486,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O,312.17065,[M+H]+,20.0,test,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O
530487,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O,312.17065,[M+H]+,20.0,test,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O
530488,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O,312.17065,[M+H]+,60.0,test,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O
530489,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O,312.17065,[M+H]+,15.0,test,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O
530490,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O,312.17065,[M+H]+,20.0,test,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O
530491,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O,312.17065,[M+H]+,45.0,test,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O
530492,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O,312.17065,[M+H]+,60.0,test,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O
530493,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O,312.17065,[M+H]+,20.0,test,CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1ccccc1c2=O
530494,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,310.1561,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530495,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,310.1561,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530496,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,310.1561,[M-H]-,60.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530497,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,310.1561,[M-H]-,30.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530498,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,310.1561,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530499,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,310.1561,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530500,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,310.1561,[M-H]-,30.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530501,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,310.1561,[M-H]-,60.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530502,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,346.13278,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530503,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,346.13278,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530504,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,346.13278,[M+Cl]-,60.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530505,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,346.13278,[M+Cl]-,15.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530506,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,346.13278,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530507,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,346.13278,[M+Cl]-,15.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530508,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,346.13278,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530509,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,346.13278,[M+Cl]-,60.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530510,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,356.16158,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530511,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,356.16158,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530512,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,356.16158,[M+FA]-,60.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530513,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,356.16158,[M+FA]-,15.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530514,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,356.16158,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530515,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,356.16158,[M+FA]-,15.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530516,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,356.16158,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530517,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,356.16158,[M+FA]-,60.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530518,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,310.1561,[M-H]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530519,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,310.1561,[M-H]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530520,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,310.1561,[M-H]-,60.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530521,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,310.1561,[M-H]-,30.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530522,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,310.1561,[M-H]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530523,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,310.1561,[M-H]-,30.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530524,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,310.1561,[M-H]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530525,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,310.1561,[M-H]-,60.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530526,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,346.13278,[M+Cl]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530527,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,346.13278,[M+Cl]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530528,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,346.13278,[M+Cl]-,60.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530529,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,346.13278,[M+Cl]-,15.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530530,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,346.13278,[M+Cl]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530531,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,356.16158,[M+FA]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530532,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,356.16158,[M+FA]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530533,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,356.16158,[M+FA]-,60.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530534,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,356.16158,[M+FA]-,15.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530535,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,356.16158,[M+FA]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530536,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,356.16158,[M+FA]-,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530537,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,356.16158,[M+FA]-,15.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530538,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,356.16158,[M+FA]-,60.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530539,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,310.1561,[M-H]-,20.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530540,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,310.1561,[M-H]-,45.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530541,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,310.1561,[M-H]-,20.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530542,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,310.1561,[M-H]-,20.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530543,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,310.1561,[M-H]-,60.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530544,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,310.1561,[M-H]-,30.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530545,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,310.1561,[M-H]-,20.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530546,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,310.1561,[M-H]-,30.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530547,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,310.1561,[M-H]-,20.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530548,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,310.1561,[M-H]-,60.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530549,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1,312.17065,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1
530550,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1,312.17065,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1
530551,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1,312.17065,[M+H]+,45.0,test,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1
530552,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1,312.17065,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1
530553,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1,312.17065,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1
530554,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1,312.17065,[M+H]+,45.0,test,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1
530555,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1,312.17065,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1
530556,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1,312.17065,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1
530557,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O,312.17065,[M+H]+,20.0,test,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
530558,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O,312.17065,[M+H]+,20.0,test,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
530559,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O,312.17065,[M+H]+,60.0,test,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
530560,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O,312.17065,[M+H]+,30.0,test,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
530561,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O,312.17065,[M+H]+,20.0,test,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
530562,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O,312.17065,[M+H]+,30.0,test,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
530563,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O,312.17065,[M+H]+,60.0,test,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
530564,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O,312.17065,[M+H]+,20.0,test,Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O
530565,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1,312.17065,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1
530566,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1,312.17065,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1
530567,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1,312.17065,[M+H]+,45.0,test,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1
530568,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1,312.17065,[M+H]+,60.0,test,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1
530569,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1,312.17065,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1
530570,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1,312.17065,[M+H]+,45.0,test,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1
530571,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1,312.17065,[M+H]+,60.0,test,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1
530572,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1,312.17065,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCCC1
530573,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1,312.17065,[M+H]+,20.0,test,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1
530574,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1,312.17065,[M+H]+,20.0,test,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1
530575,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1,312.17065,[M+H]+,60.0,test,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1
530576,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1,312.17065,[M+H]+,20.0,test,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1
530577,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1,312.17065,[M+H]+,60.0,test,O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCCC1
530578,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1,312.17065,[M+H]+,20.0,test,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1
530579,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1,312.17065,[M+H]+,20.0,test,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1
530580,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1,312.17065,[M+H]+,30.0,test,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1
530581,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1,312.17065,[M+H]+,60.0,test,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1
530582,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1,312.17065,[M+H]+,15.0,test,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1
530583,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1,312.17065,[M+H]+,20.0,test,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1
530584,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1,312.17065,[M+H]+,60.0,test,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1
530585,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1,312.17065,[M+H]+,20.0,test,Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1
530586,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,334.1526,[M+Na]+,20.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530587,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,334.1526,[M+Na]+,20.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530588,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,334.1526,[M+Na]+,60.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530589,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,334.1526,[M+Na]+,15.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530590,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,334.1526,[M+Na]+,20.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530591,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,334.1526,[M+Na]+,60.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530592,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,334.1526,[M+Na]+,20.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530593,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,334.1526,[M+Na]+,15.0,test,Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1
530594,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1,312.17065,[M+H]+,20.0,test,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1
530595,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1,312.17065,[M+H]+,20.0,test,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1
530596,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1,312.17065,[M+H]+,15.0,test,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1
530597,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1,312.17065,[M+H]+,60.0,test,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1
530598,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1,312.17065,[M+H]+,20.0,test,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1
530599,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1,312.17065,[M+H]+,60.0,test,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1
530600,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1,312.17065,[M+H]+,20.0,test,O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1
530601,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,312.17065,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530602,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,312.17065,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530603,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,312.17065,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530604,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,312.17065,[M+H]+,30.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530605,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,312.17065,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530606,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,312.17065,[M+H]+,30.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530607,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,312.17065,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530608,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1,312.17065,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
530609,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,312.17065,[M+H]+,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530610,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,312.17065,[M+H]+,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530611,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,312.17065,[M+H]+,60.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530612,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,312.17065,[M+H]+,15.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530613,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1,312.17065,[M+H]+,20.0,test,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
530614,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,312.17065,[M+H]+,20.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530615,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,312.17065,[M+H]+,20.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530616,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,312.17065,[M+H]+,60.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530617,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,312.17065,[M+H]+,30.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530618,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,312.17065,[M+H]+,20.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530619,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,312.17065,[M+H]+,60.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530620,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,312.17065,[M+H]+,30.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530621,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,312.17065,[M+H]+,20.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530622,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,334.1526,[M+Na]+,20.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530623,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,334.1526,[M+Na]+,45.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530624,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1,334.1526,[M+Na]+,20.0,test,Cc1cccc(CCC(=O)N2CCC(Oc3ncccn3)C2)c1
530625,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C,312.17065,[M+H]+,20.0,test,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C
530626,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C,312.17065,[M+H]+,20.0,test,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C
530627,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C,312.17065,[M+H]+,45.0,test,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C
530628,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C,312.17065,[M+H]+,60.0,test,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C
530629,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C,312.17065,[M+H]+,20.0,test,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C
530630,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C,312.17065,[M+H]+,60.0,test,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C
530631,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C,312.17065,[M+H]+,20.0,test,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C
530632,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C,312.17065,[M+H]+,45.0,test,Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C
530633,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,312.17065,[M+H]+,20.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530634,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,312.17065,[M+H]+,20.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530635,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,312.17065,[M+H]+,45.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530636,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,312.17065,[M+H]+,60.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530637,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,312.17065,[M+H]+,20.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530638,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,312.17065,[M+H]+,60.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530639,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,312.17065,[M+H]+,45.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530640,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1,312.17065,[M+H]+,20.0,test,CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1
530641,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1,312.17065,[M+H]+,20.0,test,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
530642,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1,312.17065,[M+H]+,20.0,test,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
530643,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1,312.17065,[M+H]+,60.0,test,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
530644,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1,312.17065,[M+H]+,30.0,test,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
530645,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1,312.17065,[M+H]+,20.0,test,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
530646,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1,312.17065,[M+H]+,60.0,test,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
530647,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1,312.17065,[M+H]+,30.0,test,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
530648,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1,312.17065,[M+H]+,20.0,test,O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
530649,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,20.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530650,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,20.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530651,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,30.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530652,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,60.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530653,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,20.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530654,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,45.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530655,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,60.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530656,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,20.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530657,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,312.17065,[M+H]+,30.0,test,CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
530658,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1,312.17065,[M+H]+,20.0,test,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1
530659,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1,312.17065,[M+H]+,20.0,test,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1
530660,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1,312.17065,[M+H]+,30.0,test,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1
530661,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1,312.17065,[M+H]+,60.0,test,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1
530662,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1,312.17065,[M+H]+,15.0,test,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1
530663,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1,312.17065,[M+H]+,20.0,test,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1
530664,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1,312.17065,[M+H]+,60.0,test,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1
530665,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1,312.17065,[M+H]+,20.0,test,Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1
530666,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1,312.17065,[M+H]+,20.0,test,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1
530667,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1,312.17065,[M+H]+,20.0,test,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1
530668,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1,312.17065,[M+H]+,60.0,test,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1
530669,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1,312.17065,[M+H]+,15.0,test,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1
530670,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1,312.17065,[M+H]+,20.0,test,Cc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCCC3)n2)cc1
530671,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1,312.17065,[M+H]+,20.0,test,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1
530672,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1,312.17065,[M+H]+,20.0,test,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1
530673,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1,312.17065,[M+H]+,60.0,test,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1
530674,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1,312.17065,[M+H]+,15.0,test,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1
530675,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1,312.17065,[M+H]+,20.0,test,O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1
530676,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,374.118,[M-H]-,20.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530677,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,374.118,[M-H]-,20.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530678,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,374.118,[M-H]-,60.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530679,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,374.118,[M-H]-,15.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530680,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,374.118,[M-H]-,20.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530681,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,420.12348,[M+FA]-,15.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530682,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,420.12348,[M+FA]-,15.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530683,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,420.12348,[M+FA]-,60.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530684,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,420.12348,[M+FA]-,15.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530685,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,376.13255,[M+H]+,20.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530686,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,376.13255,[M+H]+,20.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530687,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,376.13255,[M+H]+,60.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530688,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,376.13255,[M+H]+,20.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530689,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,376.13255,[M+H]+,45.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530690,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,376.13255,[M+H]+,60.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530691,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,376.13255,[M+H]+,20.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530692,CCNS(=O)(=O)c1cc2c(cc1)CCN2C(=O)Cc1ncc(OC)cc1,376.13255,[M+H]+,45.0,test,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(OC)cn1)CC2
530693,COc1cc(C)c(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1,374.118,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)c(C)c1
530694,COc1cc(C)c(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1,376.13255,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)c(C)c1
530695,COc1cc(C)c(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1,376.13255,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)c(C)c1
530696,COc1cc(C)c(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1,376.13255,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)c(C)c1
530697,COc1cc(C)c(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1,376.13255,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)c(C)c1
530698,COc1cc(C)c(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1,376.13255,[M+H]+,45.0,test,COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)c(C)c1
530699,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12,376.13255,[M+H]+,20.0,test,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12
530700,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12,376.13255,[M+H]+,20.0,test,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12
530701,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12,376.13255,[M+H]+,60.0,test,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12
530702,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12,376.13255,[M+H]+,30.0,test,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12
530703,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12,376.13255,[M+H]+,20.0,test,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12
530704,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,390.13067,[M-H]-,20.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530705,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,390.13067,[M-H]-,20.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530706,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,390.13067,[M-H]-,60.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530707,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,390.13067,[M-H]-,30.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530708,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,390.13067,[M-H]-,20.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530709,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,392.14523,[M+H]+,20.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530710,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,392.14523,[M+H]+,20.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530711,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,392.14523,[M+H]+,60.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530712,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,392.14523,[M+H]+,15.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530713,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1ccc(O)c2,392.14523,[M+H]+,20.0,test,Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12
530714,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,402.14507,[M+Cl]-,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530715,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,402.14507,[M+Cl]-,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530716,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,402.14507,[M+Cl]-,15.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530717,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,402.14507,[M+Cl]-,60.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530718,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,402.14507,[M+Cl]-,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530719,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,412.17388,[M+FA]-,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530720,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,412.17388,[M+FA]-,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530721,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,412.17388,[M+FA]-,60.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530722,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,412.17388,[M+FA]-,30.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530723,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,412.17388,[M+FA]-,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530724,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cnccc1)n1cnc2c(N)ncnc21,368.18295,[M+H]+,20.0,test,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1)n1cnc2c(N)ncnc21
530725,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cnccc1)n1cnc2c(N)ncnc21,368.18295,[M+H]+,20.0,test,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1)n1cnc2c(N)ncnc21
530726,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cnccc1)n1cnc2c(N)ncnc21,368.18295,[M+H]+,60.0,test,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1)n1cnc2c(N)ncnc21
530727,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cnccc1)n1cnc2c(N)ncnc21,368.18295,[M+H]+,20.0,test,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1)n1cnc2c(N)ncnc21
530728,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cnccc1)n1cnc2c(N)ncnc21,368.18295,[M+H]+,45.0,test,CC(C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1)n1cnc2c(N)ncnc21
530729,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,368.18295,[M+H]+,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530730,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,368.18295,[M+H]+,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530731,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,368.18295,[M+H]+,60.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530732,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,368.18295,[M+H]+,30.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530733,O=C(NCC1CCCN(Cc2nocn2)C1)c1cc(-n2cncn2)ccc1,368.18295,[M+H]+,20.0,test,O=C(NCC1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1
530734,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,366.1684,[M-H]-,20.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530735,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,366.1684,[M-H]-,20.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530736,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,366.1684,[M-H]-,60.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530737,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,366.1684,[M-H]-,20.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530738,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,366.1684,[M-H]-,60.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530739,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,368.18295,[M+H]+,45.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530740,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,368.18295,[M+H]+,45.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530741,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,368.18295,[M+H]+,45.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530742,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,368.18295,[M+H]+,20.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530743,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,368.18295,[M+H]+,60.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530744,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,368.18295,[M+H]+,60.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530745,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,368.18295,[M+H]+,20.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530746,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1,368.18295,[M+H]+,45.0,test,Cc1cc2c(N3CC4CN(c5cc(=O)n(C)c(=O)[nH]5)CC4C3)nccn2n1
530747,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1,364.19927,[M+H]+,20.0,test,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1
530748,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1,364.19927,[M+H]+,20.0,test,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1
530749,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1,364.19927,[M+H]+,45.0,test,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1
530750,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1,364.19927,[M+H]+,60.0,test,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1
530751,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1,364.19927,[M+H]+,20.0,test,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1
530752,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1,364.19927,[M+H]+,45.0,test,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1
530753,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1,364.19927,[M+H]+,60.0,test,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1
530754,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1,364.19927,[M+H]+,20.0,test,Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1
530755,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,250.15903,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530756,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,250.15903,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530757,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,250.15903,[M+H-H2O]+,60.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530758,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,250.15903,[M+H-H2O]+,30.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530759,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,250.15903,[M+H-H2O]+,20.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530760,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,268.16959,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530761,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,268.16959,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530762,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,268.16959,[M+H]+,60.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530763,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,268.16959,[M+H]+,15.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530764,OC(c1ccccc1)(c1ccccc1)C1CCNCC1,268.16959,[M+H]+,20.0,test,OC(c1ccccc1)(c1ccccc1)C1CCNCC1
530765,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,346.09409,[M-H]-,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530766,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,346.09409,[M-H]-,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530767,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,346.09409,[M-H]-,60.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530768,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,346.09409,[M-H]-,30.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530769,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,346.09409,[M-H]-,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530770,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,392.09957,[M+FA]-,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530771,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,392.09957,[M+FA]-,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530772,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,392.09957,[M+FA]-,60.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530773,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,392.09957,[M+FA]-,15.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530774,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,392.09957,[M+FA]-,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530775,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,392.09957,[M+FA]-,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530776,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,392.09957,[M+FA]-,15.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530777,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,392.09957,[M+FA]-,60.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530778,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,330.09809,[M+H-H2O]+,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530779,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,330.09809,[M+H-H2O]+,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530780,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,330.09809,[M+H-H2O]+,60.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530781,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,330.09809,[M+H-H2O]+,30.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530782,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21,330.09809,[M+H-H2O]+,20.0,test,O=C(CSCc1ccccc1)NCC1(O)CCCc2sccc21
530783,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1,348.10865,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1
530784,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1,348.10865,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1
530785,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1,348.10865,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1
530786,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1,348.10865,[M+H]+,15.0,test,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1
530787,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1,348.10865,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1
530788,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1,348.10865,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1
530789,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1,348.10865,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1
530790,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1,348.10865,[M+H]+,15.0,test,CCOc1ccccc1C(=O)N1CCSC(c2cccs2)CC1
530791,CN(C)CCSC1c2ccccc2CSc2ccccc21,316.11882,[M+H]+,20.0,test,CN(C)CCSC1c2ccccc2CSc2ccccc21
530792,CN(C)CCSC1c2ccccc2CSc2ccccc21,316.11882,[M+H]+,20.0,test,CN(C)CCSC1c2ccccc2CSc2ccccc21
530793,CN(C)CCSC1c2ccccc2CSc2ccccc21,316.11882,[M+H]+,60.0,test,CN(C)CCSC1c2ccccc2CSc2ccccc21
530794,CN(C)CCSC1c2ccccc2CSc2ccccc21,316.11882,[M+H]+,15.0,test,CN(C)CCSC1c2ccccc2CSc2ccccc21
530795,CN(C)CCSC1c2ccccc2CSc2ccccc21,316.11882,[M+H]+,20.0,test,CN(C)CCSC1c2ccccc2CSc2ccccc21
530796,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,434.08333,[M-H]-,20.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530797,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,434.08333,[M-H]-,20.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530798,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,434.08333,[M-H]-,15.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530799,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,436.09788,[M+H]+,20.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530800,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,436.09788,[M+H]+,20.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530801,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,436.09788,[M+H]+,60.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530802,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,436.09788,[M+H]+,15.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530803,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,436.09788,[M+H]+,20.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530804,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,436.09788,[M+H]+,60.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530805,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,436.09788,[M+H]+,15.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530806,Cc1cnc(NC(=O)Nc2c(OC[C@@H]3CNCCO3)cc(C)c(Br)c2)cn1,436.09788,[M+H]+,20.0,test,Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
530807,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,336.1361,[M+H]+,20.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530808,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,336.1361,[M+H]+,20.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530809,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,336.1361,[M+H]+,60.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530810,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,336.1361,[M+H]+,30.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530811,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,336.1361,[M+H]+,20.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530812,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,336.1361,[M+H]+,60.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530813,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,336.1361,[M+H]+,30.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530814,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,336.1361,[M+H]+,20.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530815,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,358.11804,[M+Na]+,20.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530816,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,358.11804,[M+Na]+,20.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530817,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,358.11804,[M+Na]+,30.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530818,CCCCCC(C)OC(=O)COc1c2ncccc2c(Cl)cc1,358.11804,[M+Na]+,20.0,test,CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
530819,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530820,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530821,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,60.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530822,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,30.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530823,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530824,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,60.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530825,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,30.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530826,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530827,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,318.12554,[M+H-H2O]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530828,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,318.12554,[M+H-H2O]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530829,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530830,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530831,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,60.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530832,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,30.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530833,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530834,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,60.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530835,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,30.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530836,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC,336.1361,[M+H]+,20.0,test,CCOc1c(CNCC(O)c2ccccc2)cc(Cl)cc1OC
530837,CC(=O)N1CCN(CCOCc2nn(-c3cc(F)c(F)cc3)cc2)CC1,365.17836,[M+H]+,20.0,test,CC(=O)N1CCN(CCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1
530838,CC(=O)N1CCN(CCOCc2nn(-c3cc(F)c(F)cc3)cc2)CC1,365.17836,[M+H]+,20.0,test,CC(=O)N1CCN(CCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1
530839,CC(=O)N1CCN(CCOCc2nn(-c3cc(F)c(F)cc3)cc2)CC1,365.17836,[M+H]+,60.0,test,CC(=O)N1CCN(CCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1
530840,CC(=O)N1CCN(CCOCc2nn(-c3cc(F)c(F)cc3)cc2)CC1,365.17836,[M+H]+,15.0,test,CC(=O)N1CCN(CCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1
530841,CC(=O)N1CCN(CCOCc2nn(-c3cc(F)c(F)cc3)cc2)CC1,365.17836,[M+H]+,20.0,test,CC(=O)N1CCN(CCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1
530842,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1,450.11274,[M+H]+,20.0,test,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1
530843,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1,450.11274,[M+H]+,20.0,test,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1
530844,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1,450.11274,[M+H]+,45.0,test,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1
530845,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1,450.11274,[M+H]+,60.0,test,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1
530846,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1,450.11274,[M+H]+,20.0,test,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1
530847,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1,450.11274,[M+H]+,45.0,test,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1
530848,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1,450.11274,[M+H]+,60.0,test,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1
530849,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1,450.11274,[M+H]+,20.0,test,O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1
530850,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,377.09991,[M-H]-,20.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530851,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,377.09991,[M-H]-,20.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530852,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,377.09991,[M-H]-,60.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530853,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,377.09991,[M-H]-,30.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530854,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,377.09991,[M-H]-,20.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530855,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,379.11446,[M+H]+,20.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530856,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,379.11446,[M+H]+,20.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530857,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,379.11446,[M+H]+,60.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530858,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,379.11446,[M+H]+,30.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530859,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,379.11446,[M+H]+,20.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530860,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,379.11446,[M+H]+,60.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530861,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,379.11446,[M+H]+,30.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530862,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,379.11446,[M+H]+,20.0,test,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
530863,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,377.11767,[M-H]-,20.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530864,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,377.11767,[M-H]-,20.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530865,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,377.11767,[M-H]-,60.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530866,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,377.11767,[M-H]-,30.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530867,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,377.11767,[M-H]-,20.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530868,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,377.11767,[M-H]-,60.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530869,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,377.11767,[M-H]-,30.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530870,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,377.11767,[M-H]-,20.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530871,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,377.11767,[M-H]-,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530872,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,377.11767,[M-H]-,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530873,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,377.11767,[M-H]-,60.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530874,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,377.11767,[M-H]-,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530875,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,377.11767,[M-H]-,60.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530876,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,377.11767,[M-H]-,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530877,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,377.11767,[M-H]-,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530878,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,377.11767,[M-H]-,60.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530879,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,377.11767,[M-H]-,30.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530880,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,377.11767,[M-H]-,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530881,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,377.11767,[M-H]-,60.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530882,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,377.11767,[M-H]-,30.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530883,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,377.11767,[M-H]-,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530884,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,361.12166,[M+H-H2O]+,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530885,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,361.12166,[M+H-H2O]+,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530886,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,361.12166,[M+H-H2O]+,60.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530887,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,361.12166,[M+H-H2O]+,30.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530888,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,361.12166,[M+H-H2O]+,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530889,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,379.13222,[M+H]+,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530890,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,379.13222,[M+H]+,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530891,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,379.13222,[M+H]+,60.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530892,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,379.13222,[M+H]+,15.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530893,CC(C)(CNC(=O)CCNS(=O)(=O)c1cc2ccccc2cc1)C(=O)O,379.13222,[M+H]+,20.0,test,CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
530894,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,379.13222,[M+H]+,20.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530895,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,379.13222,[M+H]+,20.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530896,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,379.13222,[M+H]+,60.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530897,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,379.13222,[M+H]+,15.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530898,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1,379.13222,[M+H]+,20.0,test,CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1
530899,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,379.13222,[M+H]+,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530900,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,379.13222,[M+H]+,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530901,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,379.13222,[M+H]+,60.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530902,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,379.13222,[M+H]+,30.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530903,O=C(NS(=O)(=O)c1cc2c(cc1)OCC2)C1CCN(C(=O)C2CC2)CC1,379.13222,[M+H]+,20.0,test,O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCN(C(=O)C2CC2)CC1
530904,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1,295.19172,[M+H]+,20.0,test,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1
530905,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1,295.19172,[M+H]+,20.0,test,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1
530906,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1,295.19172,[M+H]+,60.0,test,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1
530907,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1,295.19172,[M+H]+,30.0,test,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1
530908,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1,295.19172,[M+H]+,20.0,test,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1
530909,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1,295.19172,[M+H]+,60.0,test,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1
530910,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1,295.19172,[M+H]+,30.0,test,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1
530911,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1,295.19172,[M+H]+,20.0,test,c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)cn2)cc1
530912,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,389.11114,[M-H]-,20.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530913,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,389.11114,[M-H]-,20.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530914,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,389.11114,[M-H]-,60.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530915,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,389.11114,[M-H]-,20.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530916,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,389.11114,[M-H]-,45.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530917,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,391.12569,[M+H]+,20.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530918,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,391.12569,[M+H]+,20.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530919,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,391.12569,[M+H]+,60.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530920,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,391.12569,[M+H]+,30.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530921,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,391.12569,[M+H]+,20.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530922,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,391.12569,[M+H]+,60.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530923,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,391.12569,[M+H]+,30.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530924,CC(C)CC(=O)Nc1nc2cc3c(cc2s1)nc(NC(=O)CC(C)C)s3,391.12569,[M+H]+,20.0,test,CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1
530925,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,323.19787,[M+H]+,20.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530926,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,323.19787,[M+H]+,20.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530927,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,323.19787,[M+H]+,60.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530928,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,323.19787,[M+H]+,20.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530929,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,323.19787,[M+H]+,60.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530930,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,323.19787,[M+H]+,20.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530931,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,345.17981,[M+Na]+,20.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530932,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,345.17981,[M+Na]+,20.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530933,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,345.17981,[M+Na]+,60.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530934,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,345.17981,[M+Na]+,20.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530935,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,345.17981,[M+Na]+,45.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530936,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,345.17981,[M+Na]+,60.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530937,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,345.17981,[M+Na]+,20.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530938,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1,345.17981,[M+Na]+,45.0,test,CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
530939,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1,323.19787,[M+H]+,20.0,test,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1
530940,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1,323.19787,[M+H]+,20.0,test,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1
530941,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1,323.19787,[M+H]+,60.0,test,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1
530942,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1,323.19787,[M+H]+,20.0,test,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1
530943,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1,323.19787,[M+H]+,60.0,test,CC(C)(C)c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1
530944,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1,323.19787,[M+H]+,20.0,test,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1
530945,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1,323.19787,[M+H]+,20.0,test,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1
530946,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1,323.19787,[M+H]+,45.0,test,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1
530947,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1,323.19787,[M+H]+,60.0,test,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1
530948,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1,323.19787,[M+H]+,20.0,test,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1
530949,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1,323.19787,[M+H]+,45.0,test,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1
530950,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1,323.19787,[M+H]+,60.0,test,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1
530951,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1,323.19787,[M+H]+,20.0,test,CN(C)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nn1
530952,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C,323.19787,[M+H]+,20.0,test,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C
530953,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C,323.19787,[M+H]+,20.0,test,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C
530954,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C,323.19787,[M+H]+,60.0,test,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C
530955,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C,323.19787,[M+H]+,30.0,test,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C
530956,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C,323.19787,[M+H]+,20.0,test,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C
530957,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C,323.19787,[M+H]+,60.0,test,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C
530958,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C,323.19787,[M+H]+,30.0,test,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C
530959,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C,323.19787,[M+H]+,20.0,test,Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C
530960,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21,323.19787,[M+H]+,20.0,test,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
530961,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21,323.19787,[M+H]+,20.0,test,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
530962,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21,323.19787,[M+H]+,30.0,test,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
530963,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21,323.19787,[M+H]+,60.0,test,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
530964,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21,323.19787,[M+H]+,20.0,test,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
530965,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21,323.19787,[M+H]+,45.0,test,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
530966,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21,323.19787,[M+H]+,20.0,test,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
530967,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21,323.19787,[M+H]+,60.0,test,Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
530968,COc1c(C(=O)NCCN2CCCCC2C)sc2c1ccc(Cl)c2,367.12415,[M+H]+,20.0,test,COc1c(C(=O)NCCN2CCCCC2C)sc2cc(Cl)ccc12
530969,COc1c(C(=O)NCCN2CCCCC2C)sc2c1ccc(Cl)c2,367.12415,[M+H]+,20.0,test,COc1c(C(=O)NCCN2CCCCC2C)sc2cc(Cl)ccc12
530970,COc1c(C(=O)NCCN2CCCCC2C)sc2c1ccc(Cl)c2,367.12415,[M+H]+,60.0,test,COc1c(C(=O)NCCN2CCCCC2C)sc2cc(Cl)ccc12
530971,COc1c(C(=O)NCCN2CCCCC2C)sc2c1ccc(Cl)c2,367.12415,[M+H]+,30.0,test,COc1c(C(=O)NCCN2CCCCC2C)sc2cc(Cl)ccc12
530972,COc1c(C(=O)NCCN2CCCCC2C)sc2c1ccc(Cl)c2,367.12415,[M+H]+,20.0,test,COc1c(C(=O)NCCN2CCCCC2C)sc2cc(Cl)ccc12
530973,COc1c(C(=O)NCCN2CCCCC2C)sc2c1ccc(Cl)c2,367.12415,[M+H]+,45.0,test,COc1c(C(=O)NCCN2CCCCC2C)sc2cc(Cl)ccc12
530974,COc1c(C(=O)NCCN2CCCCC2C)sc2c1ccc(Cl)c2,367.12415,[M+H]+,60.0,test,COc1c(C(=O)NCCN2CCCCC2C)sc2cc(Cl)ccc12
530975,COc1c(C(=O)NCCN2CCCCC2C)sc2c1ccc(Cl)c2,367.12415,[M+H]+,20.0,test,COc1c(C(=O)NCCN2CCCCC2C)sc2cc(Cl)ccc12
530976,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,373.17335,[M+H]+,20.0,test,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
530977,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,373.17335,[M+H]+,20.0,test,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
530978,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,373.17335,[M+H]+,60.0,test,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
530979,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,373.17335,[M+H]+,30.0,test,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
530980,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,373.17335,[M+H]+,20.0,test,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
530981,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,373.17335,[M+H]+,30.0,test,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
530982,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,373.17335,[M+H]+,20.0,test,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
530983,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,373.17335,[M+H]+,60.0,test,O=C(C1CCCCO1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
530984,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1,344.16158,[M-H]-,20.0,test,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1
530985,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1,344.16158,[M-H]-,20.0,test,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1
530986,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1,344.16158,[M-H]-,60.0,test,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1
530987,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1,344.16158,[M-H]-,15.0,test,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1
530988,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1,344.16158,[M-H]-,20.0,test,CC1(C)CC(NC(=O)C2CC(C(=O)O)=NN2c2ccccc2)CCO1
530989,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,344.16158,[M-H]-,20.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
530990,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,344.16158,[M-H]-,20.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
530991,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,344.16158,[M-H]-,60.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
530992,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,344.16158,[M-H]-,20.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
530993,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,344.16158,[M-H]-,45.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
530994,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,344.16158,[M-H]-,60.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
530995,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,344.16158,[M-H]-,20.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
530996,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,344.16158,[M-H]-,45.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
530997,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,344.16158,[M-H]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
530998,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,344.16158,[M-H]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
530999,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,344.16158,[M-H]-,60.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531000,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,344.16158,[M-H]-,30.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531001,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,344.16158,[M-H]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531002,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,344.16158,[M-H]-,60.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531003,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,344.16158,[M-H]-,30.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531004,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,344.16158,[M-H]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531005,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,380.13826,[M+Cl]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531006,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,380.13826,[M+Cl]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531007,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,380.13826,[M+Cl]-,60.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531008,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,380.13826,[M+Cl]-,15.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531009,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,380.13826,[M+Cl]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531010,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,390.16706,[M+FA]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531011,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,390.16706,[M+FA]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531012,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,390.16706,[M+FA]-,60.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531013,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,390.16706,[M+FA]-,15.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531014,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,390.16706,[M+FA]-,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531015,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,380.13826,[M+Cl]-,20.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531016,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,380.13826,[M+Cl]-,60.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531017,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,380.13826,[M+Cl]-,15.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531018,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,390.16706,[M+FA]-,20.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531019,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,390.16706,[M+FA]-,20.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531020,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,390.16706,[M+FA]-,60.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531021,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,390.16706,[M+FA]-,15.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531022,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,390.16706,[M+FA]-,20.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531023,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,390.16706,[M+FA]-,60.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531024,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,390.16706,[M+FA]-,15.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531025,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,390.16706,[M+FA]-,20.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531026,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,344.16158,[M-H]-,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531027,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,344.16158,[M-H]-,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531028,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,344.16158,[M-H]-,30.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531029,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,344.16158,[M-H]-,60.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531030,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,344.16158,[M-H]-,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531031,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,344.16158,[M-H]-,45.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531032,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,344.16158,[M-H]-,60.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531033,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,344.16158,[M-H]-,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531034,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,380.13826,[M+Cl]-,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531035,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,380.13826,[M+Cl]-,15.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531036,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,390.16706,[M+FA]-,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531037,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,390.16706,[M+FA]-,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531038,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,390.16706,[M+FA]-,60.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531039,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,390.16706,[M+FA]-,15.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531040,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,390.16706,[M+FA]-,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531041,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,346.17613,[M+H]+,20.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531042,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,346.17613,[M+H]+,20.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531043,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,346.17613,[M+H]+,60.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531044,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,346.17613,[M+H]+,15.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531045,CC(=O)NCC1CN(C(=O)c2cc3c(cc2)N(C)C(=O)CC3)CCO1,346.17613,[M+H]+,20.0,test,CC(=O)NCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCO1
531046,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,346.17613,[M+H]+,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531047,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,346.17613,[M+H]+,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531048,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,346.17613,[M+H]+,60.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531049,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,346.17613,[M+H]+,15.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531050,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,346.17613,[M+H]+,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531051,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,346.17613,[M+H]+,60.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531052,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,346.17613,[M+H]+,15.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531053,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cc(O)ccc1,346.17613,[M+H]+,20.0,test,CCC(CC)n1nccc1C(=O)NC(C(=O)OC)c1cccc(O)c1
531054,COc1cc(OCc2nc(CC(=O)NC3CCCCC3)no2)ccc1,346.17613,[M+H]+,20.0,test,COc1cccc(OCc2nc(CC(=O)NC3CCCCC3)no2)c1
531055,COc1cc(OCc2nc(CC(=O)NC3CCCCC3)no2)ccc1,346.17613,[M+H]+,20.0,test,COc1cccc(OCc2nc(CC(=O)NC3CCCCC3)no2)c1
531056,COc1cc(OCc2nc(CC(=O)NC3CCCCC3)no2)ccc1,346.17613,[M+H]+,60.0,test,COc1cccc(OCc2nc(CC(=O)NC3CCCCC3)no2)c1
531057,COc1cc(OCc2nc(CC(=O)NC3CCCCC3)no2)ccc1,346.17613,[M+H]+,30.0,test,COc1cccc(OCc2nc(CC(=O)NC3CCCCC3)no2)c1
531058,COc1cc(OCc2nc(CC(=O)NC3CCCCC3)no2)ccc1,346.17613,[M+H]+,20.0,test,COc1cccc(OCc2nc(CC(=O)NC3CCCCC3)no2)c1
531059,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,346.17613,[M+H]+,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531060,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,346.17613,[M+H]+,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531061,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,346.17613,[M+H]+,60.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531062,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,346.17613,[M+H]+,30.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531063,CCC1(CC)NC(=O)N(CC(=O)N2CCc3c(cc(O)cc3)C2)C1=O,346.17613,[M+H]+,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
531064,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,346.17613,[M+H]+,20.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
531065,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,346.17613,[M+H]+,20.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
531066,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,346.17613,[M+H]+,60.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
531067,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,346.17613,[M+H]+,30.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
531068,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1,346.17613,[M+H]+,20.0,test,O=C(O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
531069,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,380.13826,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531070,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,380.13826,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531071,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,380.13826,[M+Cl]-,60.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531072,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,380.13826,[M+Cl]-,30.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531073,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,380.13826,[M+Cl]-,20.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531074,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,390.16706,[M+FA]-,20.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531075,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,390.16706,[M+FA]-,20.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531076,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,390.16706,[M+FA]-,60.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531077,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,390.16706,[M+FA]-,15.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531078,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1,390.16706,[M+FA]-,20.0,test,CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OCc2ccccc2)C1
531079,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1,346.17613,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1
531080,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1,346.17613,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1
531081,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1,346.17613,[M+H]+,60.0,test,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1
531082,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1,346.17613,[M+H]+,15.0,test,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1
531083,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1,346.17613,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1
531084,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1,346.17613,[M+H]+,20.0,test,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1
531085,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1,346.17613,[M+H]+,20.0,test,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1
531086,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1,346.17613,[M+H]+,60.0,test,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1
531087,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1,346.17613,[M+H]+,30.0,test,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1
531088,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1,346.17613,[M+H]+,20.0,test,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1
531089,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1,346.17613,[M+H]+,30.0,test,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1
531090,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1,346.17613,[M+H]+,60.0,test,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1
531091,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1,346.17613,[M+H]+,20.0,test,Cc1cc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1
531092,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1,346.17613,[M+H]+,20.0,test,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1
531093,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1,346.17613,[M+H]+,20.0,test,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1
531094,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1,346.17613,[M+H]+,60.0,test,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1
531095,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1,346.17613,[M+H]+,30.0,test,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1
531096,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1,346.17613,[M+H]+,20.0,test,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1
531097,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1,346.17613,[M+H]+,30.0,test,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1
531098,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1,346.17613,[M+H]+,20.0,test,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1
531099,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1,346.17613,[M+H]+,60.0,test,CCOc1ccc(OC(C)C(=O)NCCCn2ncccc2=O)cc1
531100,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,346.17613,[M+H]+,20.0,test,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
531101,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,346.17613,[M+H]+,20.0,test,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
531102,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,346.17613,[M+H]+,45.0,test,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
531103,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,346.17613,[M+H]+,60.0,test,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
531104,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,346.17613,[M+H]+,20.0,test,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
531105,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,346.17613,[M+H]+,45.0,test,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
531106,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,346.17613,[M+H]+,20.0,test,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
531107,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,346.17613,[M+H]+,60.0,test,CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
531108,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,346.17613,[M+H]+,20.0,test,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1
531109,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,346.17613,[M+H]+,20.0,test,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1
531110,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,346.17613,[M+H]+,60.0,test,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1
531111,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,346.17613,[M+H]+,30.0,test,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1
531112,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,346.17613,[M+H]+,20.0,test,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1
531113,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,346.17613,[M+H]+,30.0,test,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1
531114,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,346.17613,[M+H]+,20.0,test,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1
531115,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,346.17613,[M+H]+,60.0,test,CC1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1
531116,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1,346.17613,[M+H]+,20.0,test,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1
531117,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1,346.17613,[M+H]+,20.0,test,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1
531118,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1,346.17613,[M+H]+,60.0,test,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1
531119,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1,346.17613,[M+H]+,30.0,test,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1
531120,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1,346.17613,[M+H]+,20.0,test,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1
531121,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1,346.17613,[M+H]+,60.0,test,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1
531122,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1,346.17613,[M+H]+,20.0,test,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1
531123,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1,346.17613,[M+H]+,30.0,test,Cc1cccc(OCC(=O)N2CCCC(OCc3nc(C)no3)C2)c1
531124,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1,338.20877,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1
531125,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1,338.20877,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1
531126,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1,338.20877,[M+H]+,45.0,test,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1
531127,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1,338.20877,[M+H]+,60.0,test,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1
531128,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1,338.20877,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1
531129,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1,338.20877,[M+H]+,60.0,test,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1
531130,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1,338.20877,[M+H]+,45.0,test,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1
531131,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1,338.20877,[M+H]+,20.0,test,CCCc1c(C)nc2ncnn2c1N1CCN(c2ccccn2)CC1
531132,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1,338.20877,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1
531133,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1,338.20877,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1
531134,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1,338.20877,[M+H]+,45.0,test,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1
531135,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1,338.20877,[M+H]+,60.0,test,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1
531136,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1,338.20877,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1
531137,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1,338.20877,[M+H]+,60.0,test,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1
531138,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1,338.20877,[M+H]+,45.0,test,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1
531139,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1,338.20877,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(c3ncnc4c3ccn4C)C2)nc1
531140,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1,338.20877,[M+H]+,20.0,test,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1
531141,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1,338.20877,[M+H]+,20.0,test,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1
531142,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1,338.20877,[M+H]+,45.0,test,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1
531143,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1,338.20877,[M+H]+,60.0,test,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1
531144,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1,338.20877,[M+H]+,20.0,test,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1
531145,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1,338.20877,[M+H]+,60.0,test,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1
531146,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1,338.20877,[M+H]+,45.0,test,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1
531147,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1,338.20877,[M+H]+,20.0,test,CCc1c(C)nc(C)nc1N1CCN(c2ccn3nccc3n2)CC1
531148,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531149,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531150,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531151,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531152,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,45.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531153,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531154,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531155,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,45.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531156,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,336.1372,[M+Cl]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531157,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,336.1372,[M+Cl]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531158,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,336.1372,[M+Cl]-,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531159,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531160,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531161,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531162,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,30.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531163,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531164,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531165,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,30.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531166,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531167,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531168,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531169,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,60.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531170,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531171,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,45.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531172,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531173,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531174,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,60.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531175,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,30.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531176,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531177,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531178,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531179,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531180,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531181,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,45.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531182,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531183,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531184,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,300.16052,[M-H]-,45.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531185,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531186,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531187,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,60.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531188,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531189,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,284.16451,[M+H-H2O]+,45.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531190,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531191,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531192,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,15.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531193,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,60.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531194,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,30.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531195,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531196,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,60.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531197,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,302.17507,[M+H]+,20.0,test,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
531198,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531199,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531200,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,30.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531201,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531202,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,15.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531203,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531204,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,60.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531205,CC(CCc1ccc(O)cc1)NCCc1cc(O)c(O)cc1,302.17507,[M+H]+,20.0,test,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
531206,CCOc1c(OCC)cc(C(=O)N2C3C=CCC2CC3)cc1,302.17507,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2C3C=CCC2CC3)cc1OCC
531207,CCOc1c(OCC)cc(C(=O)N2C3C=CCC2CC3)cc1,302.17507,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2C3C=CCC2CC3)cc1OCC
531208,CCOc1c(OCC)cc(C(=O)N2C3C=CCC2CC3)cc1,302.17507,[M+H]+,60.0,test,CCOc1ccc(C(=O)N2C3C=CCC2CC3)cc1OCC
531209,CCOc1c(OCC)cc(C(=O)N2C3C=CCC2CC3)cc1,302.17507,[M+H]+,30.0,test,CCOc1ccc(C(=O)N2C3C=CCC2CC3)cc1OCC
531210,CCOc1c(OCC)cc(C(=O)N2C3C=CCC2CC3)cc1,302.17507,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2C3C=CCC2CC3)cc1OCC
531211,CCOc1c(OCC)cc(C(=O)N2C3C=CCC2CC3)cc1,302.17507,[M+H]+,30.0,test,CCOc1ccc(C(=O)N2C3C=CCC2CC3)cc1OCC
531212,CCOc1c(OCC)cc(C(=O)N2C3C=CCC2CC3)cc1,302.17507,[M+H]+,20.0,test,CCOc1ccc(C(=O)N2C3C=CCC2CC3)cc1OCC
531213,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531214,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531215,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,60.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531216,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,30.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531217,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531218,COC1=CCC2=C(CCNC2Cc2cc(OC)c(O)cc2)C1,302.17507,[M+H]+,20.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531219,COC1=CCC2=C(CCNC2Cc2cc(OC)c(O)cc2)C1,302.17507,[M+H]+,20.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531220,COC1=CCC2=C(CCNC2Cc2cc(OC)c(O)cc2)C1,302.17507,[M+H]+,60.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531221,COC1=CCC2=C(CCNC2Cc2cc(OC)c(O)cc2)C1,302.17507,[M+H]+,15.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531222,COC1=CCC2=C(CCNC2Cc2cc(OC)c(O)cc2)C1,302.17507,[M+H]+,20.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531223,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,300.16052,[M-H]-,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531224,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,300.16052,[M-H]-,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531225,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,300.16052,[M-H]-,45.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531226,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,300.16052,[M-H]-,60.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531227,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,300.16052,[M-H]-,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531228,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,300.16052,[M-H]-,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531229,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,300.16052,[M-H]-,45.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531230,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,300.16052,[M-H]-,60.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531231,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,300.16052,[M-H]-,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531232,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,300.16052,[M-H]-,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531233,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,300.16052,[M-H]-,45.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531234,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,300.16052,[M-H]-,60.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531235,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,300.16052,[M-H]-,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531236,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,300.16052,[M-H]-,45.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531237,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,300.16052,[M-H]-,60.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531238,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,300.16052,[M-H]-,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531239,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,300.16052,[M-H]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531240,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,300.16052,[M-H]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531241,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,300.16052,[M-H]-,60.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531242,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,300.16052,[M-H]-,15.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531243,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,300.16052,[M-H]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531244,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,300.16052,[M-H]-,15.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531245,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,300.16052,[M-H]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531246,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,300.16052,[M-H]-,60.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531247,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,336.1372,[M+Cl]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531248,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,336.1372,[M+Cl]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531249,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,336.1372,[M+Cl]-,60.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531250,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,336.1372,[M+Cl]-,15.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531251,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,336.1372,[M+Cl]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531252,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,346.166,[M+FA]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531253,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,346.166,[M+FA]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531254,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,346.166,[M+FA]-,60.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531255,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,346.166,[M+FA]-,15.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531256,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,346.166,[M+FA]-,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531257,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1,302.17507,[M+H]+,20.0,test,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1
531258,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1,302.17507,[M+H]+,20.0,test,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1
531259,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1,302.17507,[M+H]+,60.0,test,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1
531260,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1,302.17507,[M+H]+,15.0,test,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1
531261,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1,302.17507,[M+H]+,20.0,test,COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1
531262,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1,302.17507,[M+H]+,20.0,test,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1
531263,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1,302.17507,[M+H]+,20.0,test,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1
531264,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1,302.17507,[M+H]+,60.0,test,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1
531265,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1,302.17507,[M+H]+,30.0,test,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1
531266,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1,302.17507,[M+H]+,20.0,test,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1
531267,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1,302.17507,[M+H]+,20.0,test,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1
531268,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1,302.17507,[M+H]+,30.0,test,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1
531269,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1,302.17507,[M+H]+,60.0,test,CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1
531270,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,302.17507,[M+H]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531271,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,302.17507,[M+H]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531272,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,302.17507,[M+H]+,60.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531273,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,302.17507,[M+H]+,15.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531274,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2,302.17507,[M+H]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCCC2
531275,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531276,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531277,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,60.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531278,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,30.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531279,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531280,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531281,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,30.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531282,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,60.0,test,CCCCC(CC)CNC(=O)c1cc2ccccc2c(=O)o1
531283,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1,302.17507,[M+H]+,20.0,test,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1
531284,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1,302.17507,[M+H]+,20.0,test,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1
531285,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1,302.17507,[M+H]+,60.0,test,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1
531286,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1,302.17507,[M+H]+,30.0,test,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1
531287,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1,302.17507,[M+H]+,20.0,test,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1
531288,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1,302.17507,[M+H]+,30.0,test,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1
531289,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1,302.17507,[M+H]+,60.0,test,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1
531290,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1,302.17507,[M+H]+,20.0,test,COc1cccc(OCC(O)CNC(C)c2ccccc2)c1
531291,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,302.17507,[M+H]+,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531292,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,302.17507,[M+H]+,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531293,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,302.17507,[M+H]+,60.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531294,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,302.17507,[M+H]+,15.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531295,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1,302.17507,[M+H]+,20.0,test,Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1
531296,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531297,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531298,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,60.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531299,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,30.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531300,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531301,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,60.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531302,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,20.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531303,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,302.17507,[M+H]+,30.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531304,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,324.15701,[M+Na]+,20.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531305,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,324.15701,[M+Na]+,20.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531306,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,324.15701,[M+Na]+,60.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531307,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,324.15701,[M+Na]+,30.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531308,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1,324.15701,[M+Na]+,20.0,test,CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1
531309,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1,302.17507,[M+H]+,20.0,test,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1
531310,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1,302.17507,[M+H]+,20.0,test,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1
531311,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1,302.17507,[M+H]+,30.0,test,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1
531312,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1,302.17507,[M+H]+,60.0,test,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1
531313,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1,302.17507,[M+H]+,20.0,test,Cc1ccc(C(C)(C)C)c(OCC(=O)NCc2ccco2)c1
531314,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,284.16451,[M+H-H2O]+,20.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531315,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,284.16451,[M+H-H2O]+,20.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531316,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,284.16451,[M+H-H2O]+,60.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531317,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,284.16451,[M+H-H2O]+,30.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531318,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,284.16451,[M+H-H2O]+,20.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531319,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,302.17507,[M+H]+,20.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531320,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,302.17507,[M+H]+,20.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531321,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,302.17507,[M+H]+,60.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531322,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,302.17507,[M+H]+,30.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531323,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,302.17507,[M+H]+,20.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531324,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,302.17507,[M+H]+,60.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531325,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,302.17507,[M+H]+,30.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531326,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C,302.17507,[M+H]+,20.0,test,CC1(C(=O)O)CCC(C(=O)N2CCc3ccccc32)C1(C)C
531327,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1,302.17507,[M+H]+,20.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531328,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1,302.17507,[M+H]+,20.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531329,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1,302.17507,[M+H]+,60.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531330,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1,302.17507,[M+H]+,30.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531331,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1,302.17507,[M+H]+,20.0,test,COC1=CCC2=C(CCNC2Cc2ccc(O)c(OC)c2)C1
531332,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,284.16451,[M+H-H2O]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531333,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,284.16451,[M+H-H2O]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531334,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,284.16451,[M+H-H2O]+,45.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531335,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,284.16451,[M+H-H2O]+,60.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531336,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,284.16451,[M+H-H2O]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531337,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,302.17507,[M+H]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531338,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,302.17507,[M+H]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531339,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,302.17507,[M+H]+,60.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531340,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,302.17507,[M+H]+,15.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531341,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,302.17507,[M+H]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531342,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,302.17507,[M+H]+,60.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531343,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,302.17507,[M+H]+,15.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531344,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2,302.17507,[M+H]+,20.0,test,O=C(O)C1CCCCC1C(=O)Nc1cccc2c1CCCC2
531345,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,284.16451,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531346,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,284.16451,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531347,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,284.16451,[M+H-H2O]+,60.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531348,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,284.16451,[M+H-H2O]+,30.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531349,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,284.16451,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531350,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,302.17507,[M+H]+,20.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531351,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,302.17507,[M+H]+,20.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531352,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,302.17507,[M+H]+,60.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531353,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,302.17507,[M+H]+,15.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531354,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1,302.17507,[M+H]+,20.0,test,CC(O)(CNC(=O)CCCc1ccccc1)Cc1ccco1
531355,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,20.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531356,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,20.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531357,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,60.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531358,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,20.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531359,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,45.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531360,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,20.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531361,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,45.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531362,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,20.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531363,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,20.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531364,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,45.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531365,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,60.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531366,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1,306.18638,[M+H]+,20.0,test,O=C(C1CCOCC1)N1CCCCC(c2ccc(F)cc2)C1
531367,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1,333.16312,[M+H]+,20.0,test,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1
531368,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1,333.16312,[M+H]+,20.0,test,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1
531369,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1,333.16312,[M+H]+,60.0,test,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1
531370,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1,333.16312,[M+H]+,30.0,test,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1
531371,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1,333.16312,[M+H]+,20.0,test,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1
531372,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1,333.16312,[M+H]+,60.0,test,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1
531373,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1,333.16312,[M+H]+,30.0,test,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1
531374,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1,333.16312,[M+H]+,20.0,test,CCSC1CCCCN(C(=O)CN2C(=O)Cc3ccccc32)C1
531375,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1,333.16312,[M+H]+,20.0,test,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1
531376,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1,333.16312,[M+H]+,20.0,test,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1
531377,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1,333.16312,[M+H]+,60.0,test,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1
531378,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1,333.16312,[M+H]+,20.0,test,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1
531379,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1,333.16312,[M+H]+,45.0,test,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1
531380,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1,333.16312,[M+H]+,60.0,test,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1
531381,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1,333.16312,[M+H]+,20.0,test,CN1CCC2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2C1
531382,CSCC[C@@H](CO)NC(=O)c1cc2c(cc1)[nH]c1c2CCCC1,333.16312,[M+H]+,20.0,test,CSCC[C@@H](CO)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
531383,CSCC[C@@H](CO)NC(=O)c1cc2c(cc1)[nH]c1c2CCCC1,333.16312,[M+H]+,20.0,test,CSCC[C@@H](CO)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
531384,CSCC[C@@H](CO)NC(=O)c1cc2c(cc1)[nH]c1c2CCCC1,333.16312,[M+H]+,60.0,test,CSCC[C@@H](CO)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
531385,CSCC[C@@H](CO)NC(=O)c1cc2c(cc1)[nH]c1c2CCCC1,333.16312,[M+H]+,30.0,test,CSCC[C@@H](CO)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
531386,CSCC[C@@H](CO)NC(=O)c1cc2c(cc1)[nH]c1c2CCCC1,333.16312,[M+H]+,20.0,test,CSCC[C@@H](CO)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
531387,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,367.12525,[M+Cl]-,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531388,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,367.12525,[M+Cl]-,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531389,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,367.12525,[M+Cl]-,60.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531390,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,367.12525,[M+Cl]-,15.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531391,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,367.12525,[M+Cl]-,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531392,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,377.15405,[M+FA]-,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531393,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,377.15405,[M+FA]-,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531394,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,377.15405,[M+FA]-,60.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531395,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,377.15405,[M+FA]-,15.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531396,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,377.15405,[M+FA]-,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531397,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,377.15405,[M+FA]-,15.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531398,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,377.15405,[M+FA]-,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531399,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,377.15405,[M+FA]-,60.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531400,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,377.15405,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531401,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,377.15405,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531402,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,377.15405,[M+FA]-,60.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531403,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,377.15405,[M+FA]-,15.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531404,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,377.15405,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531405,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,377.15405,[M+FA]-,15.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531406,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,377.15405,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531407,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,377.15405,[M+FA]-,60.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531408,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1,333.16312,[M+H]+,20.0,test,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1
531409,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1,333.16312,[M+H]+,20.0,test,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1
531410,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1,333.16312,[M+H]+,30.0,test,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1
531411,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1,333.16312,[M+H]+,60.0,test,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1
531412,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1,333.16312,[M+H]+,15.0,test,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1
531413,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1,333.16312,[M+H]+,20.0,test,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1
531414,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1,333.16312,[M+H]+,60.0,test,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1
531415,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1,333.16312,[M+H]+,20.0,test,c1csc(COc2ccc(CNCCN3CCOCC3)cc2)c1
531416,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1,333.16312,[M+H]+,20.0,test,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1
531417,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1,333.16312,[M+H]+,20.0,test,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1
531418,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1,333.16312,[M+H]+,60.0,test,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1
531419,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1,333.16312,[M+H]+,30.0,test,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1
531420,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1,333.16312,[M+H]+,20.0,test,CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C#N)C1
531421,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O,333.16312,[M+H]+,20.0,test,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O
531422,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O,333.16312,[M+H]+,20.0,test,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O
531423,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O,333.16312,[M+H]+,60.0,test,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O
531424,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O,333.16312,[M+H]+,30.0,test,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O
531425,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O,333.16312,[M+H]+,20.0,test,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O
531426,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O,333.16312,[M+H]+,30.0,test,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O
531427,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O,333.16312,[M+H]+,20.0,test,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O
531428,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O,333.16312,[M+H]+,60.0,test,CC(C)OCCCn1c(SCC2CC2)nc2ccccc2c1=O
531429,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,333.16312,[M+H]+,20.0,test,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
531430,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,333.16312,[M+H]+,20.0,test,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
531431,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,333.16312,[M+H]+,60.0,test,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
531432,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,333.16312,[M+H]+,30.0,test,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
531433,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,333.16312,[M+H]+,20.0,test,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
531434,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,333.16312,[M+H]+,30.0,test,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
531435,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,333.16312,[M+H]+,60.0,test,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
531436,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,333.16312,[M+H]+,20.0,test,CCCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
531437,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,333.16312,[M+H]+,30.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531438,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,333.16312,[M+H]+,30.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531439,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,333.16312,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531440,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,333.16312,[M+H]+,60.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531441,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,333.16312,[M+H]+,30.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531442,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,333.16312,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531443,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,333.16312,[M+H]+,30.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531444,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C,333.16312,[M+H]+,60.0,test,Cc1ccc(NC(=O)NCCC(CCO)c2cccs2)cc1C
531445,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,315.15256,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531446,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,315.15256,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531447,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,315.15256,[M+H-H2O]+,60.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531448,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,315.15256,[M+H-H2O]+,30.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531449,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,315.15256,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531450,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,333.16312,[M+H]+,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531451,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,333.16312,[M+H]+,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531452,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,333.16312,[M+H]+,60.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531453,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,333.16312,[M+H]+,15.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531454,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,333.16312,[M+H]+,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531455,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,333.16312,[M+H]+,15.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531456,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,333.16312,[M+H]+,60.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531457,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1,333.16312,[M+H]+,20.0,test,CC(O)(CNC(=O)NCCCc1ccccc1)Cc1ccsc1
531458,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1,333.16312,[M+H]+,20.0,test,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1
531459,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1,333.16312,[M+H]+,20.0,test,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1
531460,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1,333.16312,[M+H]+,60.0,test,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1
531461,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1,333.16312,[M+H]+,15.0,test,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1
531462,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1,333.16312,[M+H]+,20.0,test,CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1
531463,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,20.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531464,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,20.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531465,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,60.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531466,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,15.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531467,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,20.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531468,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,349.14028,[M+H]+,20.0,test,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1
531469,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,349.14028,[M+H]+,20.0,test,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1
531470,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,349.14028,[M+H]+,30.0,test,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1
531471,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,349.14028,[M+H]+,60.0,test,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1
531472,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,349.14028,[M+H]+,15.0,test,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1
531473,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,349.14028,[M+H]+,20.0,test,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1
531474,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,349.14028,[M+H]+,20.0,test,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1
531475,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,349.14028,[M+H]+,60.0,test,Cc1cc(C)nc(SCC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1
531476,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,20.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531477,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,20.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531478,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,60.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531479,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,15.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531480,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1,349.14028,[M+H]+,20.0,test,CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1
531481,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,375.16739,[M-H]-,20.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531482,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,375.16739,[M-H]-,20.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531483,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,375.16739,[M-H]-,60.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531484,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,375.16739,[M-H]-,30.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531485,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,375.16739,[M-H]-,20.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531486,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,375.16739,[M-H]-,60.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531487,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,375.16739,[M-H]-,30.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531488,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,375.16739,[M-H]-,20.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531489,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,377.18195,[M+H]+,20.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531490,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,377.18195,[M+H]+,20.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531491,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,377.18195,[M+H]+,60.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531492,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,377.18195,[M+H]+,15.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531493,COc1c2c(ccc1)ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O,377.18195,[M+H]+,20.0,test,COc1cccc2ccn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c12
531494,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,445.19534,[M+FA]-,20.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531495,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,445.19534,[M+FA]-,60.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531496,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,445.19534,[M+FA]-,15.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531497,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,445.19534,[M+FA]-,20.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531498,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,401.20441,[M+H]+,20.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531499,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,401.20441,[M+H]+,20.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531500,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,401.20441,[M+H]+,45.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531501,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,401.20441,[M+H]+,60.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531502,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,401.20441,[M+H]+,20.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531503,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,401.20441,[M+H]+,45.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531504,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,401.20441,[M+H]+,60.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531505,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O,401.20441,[M+H]+,20.0,test,Cn1c(=O)c2c(ncn2CC(O)CN2CCN(c3ncccn3)CC2)n(C)c1=O
531506,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,355.15941,[M+Cl]-,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531507,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,355.15941,[M+Cl]-,15.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531508,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,355.15941,[M+Cl]-,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531509,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,365.18821,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531510,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,365.18821,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531511,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,365.18821,[M+FA]-,60.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531512,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,365.18821,[M+FA]-,15.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531513,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,365.18821,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531514,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,365.18821,[M+FA]-,60.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531515,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,365.18821,[M+FA]-,15.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531516,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,365.18821,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531517,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,321.19728,[M+H]+,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531518,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,321.19728,[M+H]+,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531519,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,321.19728,[M+H]+,60.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531520,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,321.19728,[M+H]+,15.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531521,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,321.19728,[M+H]+,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531522,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,321.19728,[M+H]+,60.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531523,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,321.19728,[M+H]+,15.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531524,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1,321.19728,[M+H]+,20.0,test,CC1(C)CC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
531525,COc1c(CCNC(=O)C2CC23CCC(N)CC3)cc(F)cc1,321.19728,[M+H]+,20.0,test,COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
531526,COc1c(CCNC(=O)C2CC23CCC(N)CC3)cc(F)cc1,321.19728,[M+H]+,20.0,test,COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
531527,COc1c(CCNC(=O)C2CC23CCC(N)CC3)cc(F)cc1,321.19728,[M+H]+,60.0,test,COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
531528,COc1c(CCNC(=O)C2CC23CCC(N)CC3)cc(F)cc1,321.19728,[M+H]+,30.0,test,COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
531529,COc1c(CCNC(=O)C2CC23CCC(N)CC3)cc(F)cc1,321.19728,[M+H]+,20.0,test,COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
531530,COc1c(CCNC(=O)C2CC23CCC(N)CC3)cc(F)cc1,321.19728,[M+H]+,60.0,test,COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
531531,COc1c(CCNC(=O)C2CC23CCC(N)CC3)cc(F)cc1,321.19728,[M+H]+,30.0,test,COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
531532,COc1c(CCNC(=O)C2CC23CCC(N)CC3)cc(F)cc1,321.19728,[M+H]+,20.0,test,COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
531533,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,321.19728,[M+H]+,20.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531534,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,321.19728,[M+H]+,20.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531535,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,321.19728,[M+H]+,60.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531536,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,321.19728,[M+H]+,30.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531537,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,321.19728,[M+H]+,20.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531538,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,321.19728,[M+H]+,30.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531539,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,321.19728,[M+H]+,20.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531540,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,321.19728,[M+H]+,60.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531541,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,343.17922,[M+Na]+,20.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531542,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,343.17922,[M+Na]+,20.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531543,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,343.17922,[M+Na]+,45.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531544,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,343.17922,[M+Na]+,60.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531545,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O,343.17922,[M+Na]+,20.0,test,CC(C)C(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
531546,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,374.18338,[M-H]-,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531547,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,374.18338,[M-H]-,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531548,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,374.18338,[M-H]-,60.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531549,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,374.18338,[M-H]-,30.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531550,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,374.18338,[M-H]-,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531551,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,374.18338,[M-H]-,45.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531552,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,374.18338,[M-H]-,60.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531553,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,374.18338,[M-H]-,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531554,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,420.18886,[M+FA]-,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531555,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,420.18886,[M+FA]-,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531556,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,420.18886,[M+FA]-,60.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531557,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,420.18886,[M+FA]-,15.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531558,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,420.18886,[M+FA]-,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531559,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,376.19793,[M+H]+,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531560,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,376.19793,[M+H]+,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531561,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,376.19793,[M+H]+,60.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531562,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,376.19793,[M+H]+,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531563,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,376.19793,[M+H]+,45.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531564,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,376.19793,[M+H]+,60.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531565,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,376.19793,[M+H]+,20.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531566,COc1nc(N2CCN(C(C)=O)CC2)c(NC(=O)C2CCNC(=O)C2)cc1,376.19793,[M+H]+,45.0,test,COc1ccc(NC(=O)C2CCNC(=O)C2)c(N2CCN(C(C)=O)CC2)n1
531567,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,374.18338,[M-H]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531568,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,374.18338,[M-H]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531569,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,374.18338,[M-H]-,45.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531570,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,374.18338,[M-H]-,60.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531571,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,374.18338,[M-H]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531572,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,374.18338,[M-H]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531573,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,374.18338,[M-H]-,45.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531574,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,374.18338,[M-H]-,60.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531575,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,410.16005,[M+Cl]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531576,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,410.16005,[M+Cl]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531577,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,410.16005,[M+Cl]-,60.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531578,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,410.16005,[M+Cl]-,15.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531579,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,410.16005,[M+Cl]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531580,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,410.16005,[M+Cl]-,15.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531581,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,410.16005,[M+Cl]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531582,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,410.16005,[M+Cl]-,60.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531583,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,420.18886,[M+FA]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531584,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,420.18886,[M+FA]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531585,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,420.18886,[M+FA]-,60.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531586,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,420.18886,[M+FA]-,15.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531587,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,420.18886,[M+FA]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531588,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,420.18886,[M+FA]-,15.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531589,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,420.18886,[M+FA]-,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531590,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,420.18886,[M+FA]-,60.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531591,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,376.19793,[M+H]+,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531592,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,376.19793,[M+H]+,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531593,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,376.19793,[M+H]+,60.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531594,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,376.19793,[M+H]+,15.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531595,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,376.19793,[M+H]+,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531596,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,376.19793,[M+H]+,60.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531597,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,376.19793,[M+H]+,15.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531598,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC,376.19793,[M+H]+,20.0,test,COc1cc(C(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC
531599,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,334.166,[M-H]-,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531600,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,334.166,[M-H]-,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531601,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,334.166,[M-H]-,60.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531602,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,334.166,[M-H]-,30.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531603,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,334.166,[M-H]-,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531604,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,334.166,[M-H]-,30.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531605,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,334.166,[M-H]-,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531606,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,334.166,[M-H]-,60.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531607,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,318.16999,[M+H-H2O]+,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531608,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,318.16999,[M+H-H2O]+,60.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531609,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,318.16999,[M+H-H2O]+,30.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531610,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,318.16999,[M+H-H2O]+,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531611,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,336.18055,[M+H]+,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531612,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,336.18055,[M+H]+,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531613,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,336.18055,[M+H]+,60.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531614,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,336.18055,[M+H]+,15.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531615,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,336.18055,[M+H]+,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531616,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,336.18055,[M+H]+,20.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531617,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,336.18055,[M+H]+,15.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531618,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1,336.18055,[M+H]+,60.0,test,CCOCCOc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
531619,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC,336.18055,[M+H]+,20.0,test,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC
531620,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC,336.18055,[M+H]+,20.0,test,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC
531621,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC,336.18055,[M+H]+,60.0,test,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC
531622,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC,336.18055,[M+H]+,30.0,test,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC
531623,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC,336.18055,[M+H]+,20.0,test,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC
531624,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC,336.18055,[M+H]+,60.0,test,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC
531625,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC,336.18055,[M+H]+,30.0,test,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC
531626,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC,336.18055,[M+H]+,20.0,test,CCOc1ccccc1CCC(=O)N1CC(OC)CC1C(=O)OC
531627,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,336.18055,[M+H]+,20.0,test,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
531628,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,336.18055,[M+H]+,20.0,test,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
531629,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,336.18055,[M+H]+,60.0,test,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
531630,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,336.18055,[M+H]+,20.0,test,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
531631,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,336.18055,[M+H]+,60.0,test,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
531632,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,336.18055,[M+H]+,20.0,test,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
531633,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1,374.20499,[M+H]+,20.0,test,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1
531634,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1,374.20499,[M+H]+,20.0,test,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1
531635,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1,374.20499,[M+H]+,60.0,test,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1
531636,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1,374.20499,[M+H]+,15.0,test,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1
531637,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1,374.20499,[M+H]+,20.0,test,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1
531638,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,398.17329,[M-H]-,20.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531639,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,398.17329,[M-H]-,20.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531640,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,398.17329,[M-H]-,60.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531641,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,398.17329,[M-H]-,15.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531642,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,398.17329,[M-H]-,20.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531643,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,444.17877,[M+FA]-,20.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531644,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,444.17877,[M+FA]-,20.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531645,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,444.17877,[M+FA]-,60.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531646,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,444.17877,[M+FA]-,15.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531647,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,444.17877,[M+FA]-,20.0,test,CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
531648,Cc1cc2c(N3CCN(CC(C)(C)O)CC3C)ncnc2cc1,315.21794,[M+H]+,20.0,test,Cc1ccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c2c1
531649,Cc1cc2c(N3CCN(CC(C)(C)O)CC3C)ncnc2cc1,315.21794,[M+H]+,20.0,test,Cc1ccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c2c1
531650,Cc1cc2c(N3CCN(CC(C)(C)O)CC3C)ncnc2cc1,315.21794,[M+H]+,60.0,test,Cc1ccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c2c1
531651,Cc1cc2c(N3CCN(CC(C)(C)O)CC3C)ncnc2cc1,315.21794,[M+H]+,20.0,test,Cc1ccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c2c1
531652,Cc1cc2c(N3CCN(CC(C)(C)O)CC3C)ncnc2cc1,315.21794,[M+H]+,45.0,test,Cc1ccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c2c1
531653,Cc1cc2c(N3CCN(CC(C)(C)O)CC3C)ncnc2cc1,315.21794,[M+H]+,60.0,test,Cc1ccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c2c1
531654,Cc1cc2c(N3CCN(CC(C)(C)O)CC3C)ncnc2cc1,315.21794,[M+H]+,20.0,test,Cc1ccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c2c1
531655,Cc1cc2c(N3CCN(CC(C)(C)O)CC3C)ncnc2cc1,315.21794,[M+H]+,45.0,test,Cc1ccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c2c1
531656,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2,315.21794,[M+H]+,20.0,test,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2
531657,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2,315.21794,[M+H]+,20.0,test,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2
531658,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2,315.21794,[M+H]+,60.0,test,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2
531659,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2,315.21794,[M+H]+,30.0,test,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2
531660,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2,315.21794,[M+H]+,20.0,test,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2
531661,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2,315.21794,[M+H]+,60.0,test,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2
531662,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2,315.21794,[M+H]+,30.0,test,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2
531663,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2,315.21794,[M+H]+,20.0,test,CN(C)c1nccc2c1CN(C(=O)[C@]13CCC[C@H]1NCC3)CC2
531664,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2c1nccc2,315.21794,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2cccnc21
531665,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2c1nccc2,315.21794,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2cccnc21
531666,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2c1nccc2,315.21794,[M+H]+,60.0,test,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2cccnc21
531667,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2c1nccc2,315.21794,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2cccnc21
531668,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2c1nccc2,315.21794,[M+H]+,45.0,test,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2cccnc21
531669,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2c1nccc2,315.21794,[M+H]+,60.0,test,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2cccnc21
531670,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2c1nccc2,315.21794,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2cccnc21
531671,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2c1nccc2,315.21794,[M+H]+,45.0,test,CCn1c(C2CCN(C(=O)CC(C)(C)C)C2)nc2cccnc21
531672,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1,315.21794,[M+H]+,20.0,test,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1
531673,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1,315.21794,[M+H]+,20.0,test,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1
531674,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1,315.21794,[M+H]+,60.0,test,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1
531675,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1,315.21794,[M+H]+,30.0,test,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1
531676,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1,315.21794,[M+H]+,20.0,test,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1
531677,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1,315.21794,[M+H]+,20.0,test,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1
531678,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1,315.21794,[M+H]+,60.0,test,Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1
531679,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1,315.21794,[M+H]+,20.0,test,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1
531680,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1,315.21794,[M+H]+,20.0,test,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1
531681,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1,315.21794,[M+H]+,60.0,test,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1
531682,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1,315.21794,[M+H]+,30.0,test,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1
531683,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1,315.21794,[M+H]+,20.0,test,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1
531684,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1,315.21794,[M+H]+,60.0,test,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1
531685,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1,315.21794,[M+H]+,20.0,test,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1
531686,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1,315.21794,[M+H]+,30.0,test,Cc1ccn2cc(C(=O)NCCN(C)C3CCCCC3)nc2c1
531687,Cc1c(C(=O)N(C)Cc2cnc(C(C)C)nc2)sc(C(C)(C)C)n1,347.19001,[M+H]+,20.0,test,Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1
531688,Cc1c(C(=O)N(C)Cc2cnc(C(C)C)nc2)sc(C(C)(C)C)n1,347.19001,[M+H]+,20.0,test,Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1
531689,Cc1c(C(=O)N(C)Cc2cnc(C(C)C)nc2)sc(C(C)(C)C)n1,347.19001,[M+H]+,60.0,test,Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1
531690,Cc1c(C(=O)N(C)Cc2cnc(C(C)C)nc2)sc(C(C)(C)C)n1,347.19001,[M+H]+,20.0,test,Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1
531691,Cc1c(C(=O)N(C)Cc2cnc(C(C)C)nc2)sc(C(C)(C)C)n1,347.19001,[M+H]+,45.0,test,Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1
531692,Cc1c(C(=O)N(C)Cc2cnc(C(C)C)nc2)sc(C(C)(C)C)n1,347.19001,[M+H]+,60.0,test,Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1
531693,Cc1c(C(=O)N(C)Cc2cnc(C(C)C)nc2)sc(C(C)(C)C)n1,347.19001,[M+H]+,20.0,test,Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1
531694,Cc1c(C(=O)N(C)Cc2cnc(C(C)C)nc2)sc(C(C)(C)C)n1,347.19001,[M+H]+,45.0,test,Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1
531695,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,20.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531696,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,20.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531697,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,60.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531698,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,30.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531699,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,20.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531700,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,60.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531701,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,30.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531702,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,20.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531703,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,381.15213,[M+Cl]-,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531704,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,381.15213,[M+Cl]-,15.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531705,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,391.18093,[M+FA]-,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531706,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,391.18093,[M+FA]-,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531707,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,391.18093,[M+FA]-,60.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531708,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,391.18093,[M+FA]-,15.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531709,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,391.18093,[M+FA]-,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531710,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,391.18093,[M+FA]-,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531711,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,391.18093,[M+FA]-,15.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531712,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,391.18093,[M+FA]-,60.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531713,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,347.19001,[M+H]+,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531714,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,347.19001,[M+H]+,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531715,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,347.19001,[M+H]+,60.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531716,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,347.19001,[M+H]+,30.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531717,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,347.19001,[M+H]+,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531718,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,347.19001,[M+H]+,60.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531719,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,347.19001,[M+H]+,30.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531720,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1,347.19001,[M+H]+,20.0,test,CC(C)(C)NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1
531721,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1,347.19001,[M+H]+,20.0,test,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1
531722,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1,347.19001,[M+H]+,20.0,test,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1
531723,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1,347.19001,[M+H]+,15.0,test,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1
531724,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1,347.19001,[M+H]+,60.0,test,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1
531725,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1,347.19001,[M+H]+,30.0,test,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1
531726,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1,347.19001,[M+H]+,20.0,test,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1
531727,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1,347.19001,[M+H]+,60.0,test,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1
531728,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1,347.19001,[M+H]+,20.0,test,Cc1nc(C)c(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1
531729,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1,347.19001,[M+H]+,20.0,test,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1
531730,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1,347.19001,[M+H]+,20.0,test,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1
531731,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1,347.19001,[M+H]+,45.0,test,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1
531732,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1,347.19001,[M+H]+,60.0,test,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1
531733,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1,347.19001,[M+H]+,20.0,test,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1
531734,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1,347.19001,[M+H]+,45.0,test,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1
531735,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1,347.19001,[M+H]+,60.0,test,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1
531736,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1,347.19001,[M+H]+,20.0,test,Cc1ccc(N2CC3CN(C(=O)CSC4CCCC4)CC3C2)nn1
531737,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1,347.19001,[M+H]+,45.0,test,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1
531738,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1,347.19001,[M+H]+,45.0,test,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1
531739,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1,347.19001,[M+H]+,45.0,test,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1
531740,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1,347.19001,[M+H]+,20.0,test,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1
531741,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1,347.19001,[M+H]+,60.0,test,CCCCN(CC)C(=O)C1CCCN(c2nc3cccnc3s2)C1
531742,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,20.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531743,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,20.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531744,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,60.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531745,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,30.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531746,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,20.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531747,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,30.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531748,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,60.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531749,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12,347.19001,[M+H]+,20.0,test,CCCCNc1nc(SCC(=O)NC(C)CC)nc2ccccc12
531750,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,324.2057,[M-H2O]+,20.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531751,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,324.2057,[M-H2O]+,20.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531752,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,324.2057,[M-H2O]+,60.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531753,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,324.2057,[M-H2O]+,30.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531754,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,324.2057,[M-H2O]+,20.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531755,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,343.22409,[M+H]+,20.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531756,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,343.22409,[M+H]+,20.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531757,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,343.22409,[M+H]+,60.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531758,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,343.22409,[M+H]+,30.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531759,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,343.22409,[M+H]+,20.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531760,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,343.22409,[M+H]+,60.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531761,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,343.22409,[M+H]+,30.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531762,Cn1cnc2c1ncnc2N1CCCC1C(=O)NCC1CCCCC1,343.22409,[M+H]+,20.0,test,Cn1cnc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc21
531763,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cn(C)nc2)nc1,343.22409,[M+H]+,20.0,test,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nc1
531764,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cn(C)nc2)nc1,343.22409,[M+H]+,20.0,test,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nc1
531765,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cn(C)nc2)nc1,343.22409,[M+H]+,60.0,test,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nc1
531766,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cn(C)nc2)nc1,343.22409,[M+H]+,30.0,test,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nc1
531767,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cn(C)nc2)nc1,343.22409,[M+H]+,20.0,test,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nc1
531768,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cn(C)nc2)nc1,343.22409,[M+H]+,60.0,test,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nc1
531769,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cn(C)nc2)nc1,343.22409,[M+H]+,30.0,test,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nc1
531770,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cn(C)nc2)nc1,343.22409,[M+H]+,20.0,test,Cc1cnc(NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nc1
531771,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,341.20953,[M-H]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531772,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,341.20953,[M-H]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531773,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,341.20953,[M-H]-,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531774,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,341.20953,[M-H]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531775,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,341.20953,[M-H]-,45.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531776,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,377.18621,[M+Cl]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531777,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,377.18621,[M+Cl]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531778,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,377.18621,[M+Cl]-,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531779,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,377.18621,[M+Cl]-,15.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531780,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,377.18621,[M+Cl]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531781,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,387.21501,[M+FA]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531782,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,387.21501,[M+FA]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531783,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,387.21501,[M+FA]-,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531784,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,387.21501,[M+FA]-,15.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531785,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,387.21501,[M+FA]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531786,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,387.21501,[M+FA]-,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531787,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,387.21501,[M+FA]-,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531788,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,387.21501,[M+FA]-,60.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531789,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,387.21501,[M+FA]-,15.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531790,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,387.21501,[M+FA]-,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531791,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,343.22409,[M+H]+,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531792,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,343.22409,[M+H]+,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531793,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,343.22409,[M+H]+,60.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531794,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,343.22409,[M+H]+,30.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531795,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,343.22409,[M+H]+,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531796,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,343.22409,[M+H]+,60.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531797,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,343.22409,[M+H]+,30.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531798,CN(C)C[C@@H](NC(=O)N1Cc2c([nH]nc2N)C1(C)C)c1ccccc1,343.22409,[M+H]+,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531799,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,343.22409,[M+H]+,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531800,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,343.22409,[M+H]+,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531801,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,343.22409,[M+H]+,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531802,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,343.22409,[M+H]+,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531803,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,343.22409,[M+H]+,45.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531804,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,343.22409,[M+H]+,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531805,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,343.22409,[M+H]+,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531806,CCC(CC)C(=O)NCCNc1nnc(Nc2cccc(C)n2)cc1,343.22409,[M+H]+,45.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531807,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,341.20953,[M-H]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531808,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,341.20953,[M-H]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531809,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,341.20953,[M-H]-,45.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531810,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,341.20953,[M-H]-,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531811,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,341.20953,[M-H]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531812,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,377.18621,[M+Cl]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531813,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,387.21501,[M+FA]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531814,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,387.21501,[M+FA]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531815,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,387.21501,[M+FA]-,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531816,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,387.21501,[M+FA]-,15.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531817,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,387.21501,[M+FA]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531818,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,387.21501,[M+FA]-,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531819,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,387.21501,[M+FA]-,15.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531820,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,387.21501,[M+FA]-,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531821,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,387.21501,[M+FA]-,20.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531822,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,387.21501,[M+FA]-,20.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531823,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,387.21501,[M+FA]-,60.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531824,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,387.21501,[M+FA]-,15.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531825,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,387.21501,[M+FA]-,20.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531826,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,341.20953,[M-H]-,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531827,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,341.20953,[M-H]-,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531828,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,341.20953,[M-H]-,60.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531829,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,341.20953,[M-H]-,30.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531830,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,341.20953,[M-H]-,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531831,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,377.18621,[M+Cl]-,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531832,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,377.18621,[M+Cl]-,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531833,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,377.18621,[M+Cl]-,60.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531834,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,377.18621,[M+Cl]-,15.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531835,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,377.18621,[M+Cl]-,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531836,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,377.18621,[M+Cl]-,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531837,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,387.21501,[M+FA]-,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531838,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,387.21501,[M+FA]-,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531839,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,387.21501,[M+FA]-,60.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531840,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,387.21501,[M+FA]-,15.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531841,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,387.21501,[M+FA]-,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531842,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,387.21501,[M+FA]-,15.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531843,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,387.21501,[M+FA]-,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531844,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,387.21501,[M+FA]-,60.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531845,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1,343.22409,[M+H]+,20.0,test,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1
531846,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1,343.22409,[M+H]+,20.0,test,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1
531847,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1,343.22409,[M+H]+,60.0,test,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1
531848,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1,343.22409,[M+H]+,15.0,test,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1
531849,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1,343.22409,[M+H]+,20.0,test,Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)(C)C)CC2)cc1
531850,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1,343.22409,[M+H]+,20.0,test,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1
531851,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1,343.22409,[M+H]+,20.0,test,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1
531852,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1,343.22409,[M+H]+,45.0,test,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1
531853,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1,343.22409,[M+H]+,60.0,test,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1
531854,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1,343.22409,[M+H]+,20.0,test,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1
531855,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1,343.22409,[M+H]+,60.0,test,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1
531856,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1,343.22409,[M+H]+,45.0,test,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1
531857,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1,343.22409,[M+H]+,20.0,test,CC(C)c1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1
531858,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,343.22409,[M+H]+,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531859,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,343.22409,[M+H]+,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531860,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,343.22409,[M+H]+,45.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531861,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,343.22409,[M+H]+,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531862,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,343.22409,[M+H]+,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531863,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,343.22409,[M+H]+,45.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531864,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,343.22409,[M+H]+,60.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531865,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1,343.22409,[M+H]+,20.0,test,CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
531866,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1,343.22409,[M+H]+,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531867,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1,343.22409,[M+H]+,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531868,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1,343.22409,[M+H]+,60.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531869,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1,343.22409,[M+H]+,30.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531870,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1,343.22409,[M+H]+,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531871,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1,343.22409,[M+H]+,30.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531872,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1,343.22409,[M+H]+,60.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531873,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1,343.22409,[M+H]+,20.0,test,CN(C)C[C@@H](NC(=O)N1Cc2c(N)n[nH]c2C1(C)C)c1ccccc1
531874,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,343.22409,[M+H]+,20.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531875,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,343.22409,[M+H]+,20.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531876,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,343.22409,[M+H]+,60.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531877,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,343.22409,[M+H]+,20.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531878,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,343.22409,[M+H]+,20.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531879,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12,343.22409,[M+H]+,60.0,test,CCCc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nnc(C)n12
531880,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2,343.22409,[M+H]+,20.0,test,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2
531881,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2,343.22409,[M+H]+,20.0,test,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2
531882,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2,343.22409,[M+H]+,45.0,test,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2
531883,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2,343.22409,[M+H]+,60.0,test,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2
531884,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2,343.22409,[M+H]+,20.0,test,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2
531885,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2,343.22409,[M+H]+,45.0,test,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2
531886,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2,343.22409,[M+H]+,60.0,test,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2
531887,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2,343.22409,[M+H]+,20.0,test,Cc1nc2c(c(N3CCN(Cc4nc(C(C)C)no4)CC3)n1)CCC2
531888,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,343.22409,[M+H]+,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531889,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,343.22409,[M+H]+,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531890,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,343.22409,[M+H]+,60.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531891,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,343.22409,[M+H]+,30.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531892,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,343.22409,[M+H]+,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531893,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,343.22409,[M+H]+,30.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531894,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,343.22409,[M+H]+,60.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531895,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1,343.22409,[M+H]+,20.0,test,Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)n1
531896,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,343.22409,[M+H]+,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531897,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,343.22409,[M+H]+,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531898,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,343.22409,[M+H]+,60.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531899,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,343.22409,[M+H]+,30.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531900,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,343.22409,[M+H]+,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531901,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,343.22409,[M+H]+,20.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531902,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,343.22409,[M+H]+,60.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531903,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1,343.22409,[M+H]+,30.0,test,Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)n1
531904,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,479.14063,[M+FA]-,20.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531905,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,479.14063,[M+FA]-,20.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531906,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,479.14063,[M+FA]-,60.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531907,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,479.14063,[M+FA]-,15.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531908,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,479.14063,[M+FA]-,20.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531909,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,452.17625,[M+NH4]+,20.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531910,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,452.17625,[M+NH4]+,20.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531911,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,452.17625,[M+NH4]+,60.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531912,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,452.17625,[M+NH4]+,15.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531913,COc1c(O)ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1,452.17625,[M+NH4]+,20.0,test,COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O
531914,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,284.21213,[M+H-H2O]+,20.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531915,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,284.21213,[M+H-H2O]+,20.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531916,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,284.21213,[M+H-H2O]+,60.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531917,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,284.21213,[M+H-H2O]+,30.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531918,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,284.21213,[M+H-H2O]+,20.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531919,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,302.22269,[M+H]+,20.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531920,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,302.22269,[M+H]+,20.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531921,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,302.22269,[M+H]+,60.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531922,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,302.22269,[M+H]+,30.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531923,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,302.22269,[M+H]+,20.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531924,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,302.22269,[M+H]+,60.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531925,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,302.22269,[M+H]+,30.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531926,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21,302.22269,[M+H]+,20.0,test,CCCn1c(CNCC2(O)CCCCC2)nc2ccccc21
531927,Cc1cc(NC(=O)N2CCCC(N3CCCC3)C2)c(C)cc1,302.22269,[M+H]+,20.0,test,Cc1ccc(C)c(NC(=O)N2CCCC(N3CCCC3)C2)c1
531928,Cc1cc(NC(=O)N2CCCC(N3CCCC3)C2)c(C)cc1,302.22269,[M+H]+,20.0,test,Cc1ccc(C)c(NC(=O)N2CCCC(N3CCCC3)C2)c1
531929,Cc1cc(NC(=O)N2CCCC(N3CCCC3)C2)c(C)cc1,302.22269,[M+H]+,60.0,test,Cc1ccc(C)c(NC(=O)N2CCCC(N3CCCC3)C2)c1
531930,Cc1cc(NC(=O)N2CCCC(N3CCCC3)C2)c(C)cc1,302.22269,[M+H]+,30.0,test,Cc1ccc(C)c(NC(=O)N2CCCC(N3CCCC3)C2)c1
531931,Cc1cc(NC(=O)N2CCCC(N3CCCC3)C2)c(C)cc1,302.22269,[M+H]+,20.0,test,Cc1ccc(C)c(NC(=O)N2CCCC(N3CCCC3)C2)c1
531932,Cc1cc(NC(=O)N2CCCC(N3CCCC3)C2)c(C)cc1,302.22269,[M+H]+,60.0,test,Cc1ccc(C)c(NC(=O)N2CCCC(N3CCCC3)C2)c1
531933,Cc1cc(NC(=O)N2CCCC(N3CCCC3)C2)c(C)cc1,302.22269,[M+H]+,30.0,test,Cc1ccc(C)c(NC(=O)N2CCCC(N3CCCC3)C2)c1
531934,Cc1cc(NC(=O)N2CCCC(N3CCCC3)C2)c(C)cc1,302.22269,[M+H]+,20.0,test,Cc1ccc(C)c(NC(=O)N2CCCC(N3CCCC3)C2)c1
531935,CN(C(=O)N1CCC(Cc2cnccc2)CC1)C1CCCC1,302.22269,[M+H]+,20.0,test,CN(C(=O)N1CCC(Cc2cccnc2)CC1)C1CCCC1
531936,CN(C(=O)N1CCC(Cc2cnccc2)CC1)C1CCCC1,302.22269,[M+H]+,20.0,test,CN(C(=O)N1CCC(Cc2cccnc2)CC1)C1CCCC1
531937,CN(C(=O)N1CCC(Cc2cnccc2)CC1)C1CCCC1,302.22269,[M+H]+,15.0,test,CN(C(=O)N1CCC(Cc2cccnc2)CC1)C1CCCC1
531938,CN(C(=O)N1CCC(Cc2cnccc2)CC1)C1CCCC1,302.22269,[M+H]+,60.0,test,CN(C(=O)N1CCC(Cc2cccnc2)CC1)C1CCCC1
531939,CN(C(=O)N1CCC(Cc2cnccc2)CC1)C1CCCC1,302.22269,[M+H]+,30.0,test,CN(C(=O)N1CCC(Cc2cccnc2)CC1)C1CCCC1
531940,CN(C(=O)N1CCC(Cc2cnccc2)CC1)C1CCCC1,302.22269,[M+H]+,20.0,test,CN(C(=O)N1CCC(Cc2cccnc2)CC1)C1CCCC1
531941,CN(C(=O)N1CCC(Cc2cnccc2)CC1)C1CCCC1,302.22269,[M+H]+,60.0,test,CN(C(=O)N1CCC(Cc2cccnc2)CC1)C1CCCC1
531942,CN(C(=O)N1CCC(Cc2cnccc2)CC1)C1CCCC1,302.22269,[M+H]+,20.0,test,CN(C(=O)N1CCC(Cc2cccnc2)CC1)C1CCCC1
531943,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1,302.22269,[M+H]+,20.0,test,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1
531944,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1,302.22269,[M+H]+,20.0,test,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1
531945,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1,302.22269,[M+H]+,60.0,test,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1
531946,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1,302.22269,[M+H]+,30.0,test,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1
531947,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1,302.22269,[M+H]+,20.0,test,CN1CCN(C(=O)N2CCCCC(c3ccccc3)C2)CC1
531948,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C,302.22269,[M+H]+,20.0,test,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
531949,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C,302.22269,[M+H]+,20.0,test,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
531950,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C,302.22269,[M+H]+,45.0,test,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
531951,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C,302.22269,[M+H]+,60.0,test,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
531952,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C,302.22269,[M+H]+,20.0,test,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
531953,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C,302.22269,[M+H]+,60.0,test,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
531954,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C,302.22269,[M+H]+,20.0,test,Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
531955,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,302.22269,[M+H]+,20.0,test,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
531956,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,302.22269,[M+H]+,20.0,test,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
531957,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,302.22269,[M+H]+,30.0,test,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
531958,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,302.22269,[M+H]+,60.0,test,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
531959,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,302.22269,[M+H]+,15.0,test,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
531960,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,302.22269,[M+H]+,20.0,test,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
531961,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,302.22269,[M+H]+,60.0,test,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
531962,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,302.22269,[M+H]+,20.0,test,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
531963,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1,302.22269,[M+H]+,20.0,test,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1
531964,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1,302.22269,[M+H]+,20.0,test,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1
531965,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1,302.22269,[M+H]+,45.0,test,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1
531966,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1,302.22269,[M+H]+,60.0,test,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1
531967,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1,302.22269,[M+H]+,20.0,test,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1
531968,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1,302.22269,[M+H]+,45.0,test,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1
531969,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1,302.22269,[M+H]+,20.0,test,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1
531970,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1,302.22269,[M+H]+,60.0,test,O=c1ccc(C2CC2)nn1CC1CCN(C2CCCC2)CC1
531971,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1,302.22269,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1
531972,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1,302.22269,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1
531973,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1,302.22269,[M+H]+,60.0,test,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1
531974,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1,302.22269,[M+H]+,15.0,test,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1
531975,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1,302.22269,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1
531976,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1,302.22269,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1
531977,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1,302.22269,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1
531978,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1,302.22269,[M+H]+,60.0,test,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1
531979,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1,302.22269,[M+H]+,30.0,test,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1
531980,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1,302.22269,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1
531981,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1,302.22269,[M+H]+,20.0,test,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1
531982,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1,302.22269,[M+H]+,30.0,test,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1
531983,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1,302.22269,[M+H]+,60.0,test,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1
531984,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,420.21156,[M+FA]-,20.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531985,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,420.21156,[M+FA]-,60.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531986,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,420.21156,[M+FA]-,15.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531987,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,420.21156,[M+FA]-,20.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531988,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,376.22064,[M+H]+,20.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531989,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,376.22064,[M+H]+,20.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531990,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,376.22064,[M+H]+,60.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531991,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,376.22064,[M+H]+,20.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531992,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,376.22064,[M+H]+,45.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531993,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,376.22064,[M+H]+,60.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531994,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,376.22064,[M+H]+,20.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531995,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1,376.22064,[M+H]+,45.0,test,O=C(NCC1CC1)C1CCCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
531996,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2,337.19442,[M+H]+,20.0,test,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2
531997,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2,337.19442,[M+H]+,20.0,test,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2
531998,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2,337.19442,[M+H]+,60.0,test,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2
531999,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2,337.19442,[M+H]+,30.0,test,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2
532000,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2,337.19442,[M+H]+,20.0,test,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2
532001,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2,337.19442,[M+H]+,60.0,test,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2
532002,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2,337.19442,[M+H]+,30.0,test,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2
532003,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2,337.19442,[M+H]+,20.0,test,CN=S1(=O)CCC2(CC1)CN(CC(C)c1ccccc1)CCO2
532004,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,367.1697,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532005,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,367.1697,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532006,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,367.1697,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532007,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,367.1697,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532008,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,367.1697,[M-H]-,45.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532009,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,367.1697,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532010,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,367.1697,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532011,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,367.1697,[M-H]-,45.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532012,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,403.14638,[M+Cl]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532013,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,403.14638,[M+Cl]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532014,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,403.14638,[M+Cl]-,60.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532015,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,403.14638,[M+Cl]-,15.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532016,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,403.14638,[M+Cl]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532017,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,413.17518,[M+FA]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532018,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,413.17518,[M+FA]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532019,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,413.17518,[M+FA]-,60.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532020,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,413.17518,[M+FA]-,30.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532021,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,413.17518,[M+FA]-,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532022,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,369.18425,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532023,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,369.18425,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532024,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,369.18425,[M+H]+,30.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532025,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,369.18425,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532026,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,369.18425,[M+H]+,15.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532027,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,369.18425,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532028,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,369.18425,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532029,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,369.18425,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
532030,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,331.21395,[M-H]-,20.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532031,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,331.21395,[M-H]-,20.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532032,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,331.21395,[M-H]-,60.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532033,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,331.21395,[M-H]-,20.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532034,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,331.21395,[M-H]-,45.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532035,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,331.21395,[M-H]-,60.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532036,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,331.21395,[M-H]-,20.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532037,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,331.21395,[M-H]-,45.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532038,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,331.21395,[M-H]-,20.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532039,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,331.21395,[M-H]-,20.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532040,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,331.21395,[M-H]-,60.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532041,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,331.21395,[M-H]-,20.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532042,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,331.21395,[M-H]-,60.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532043,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,331.21395,[M-H]-,20.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532044,O=C(CCC1CCCCO1)N1CCN(c2n[nH]c(C3CC3)c2)CC1,333.2285,[M+H]+,20.0,test,O=C(CCC1CCCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1
532045,O=C(CCC1CCCCO1)N1CCN(c2n[nH]c(C3CC3)c2)CC1,333.2285,[M+H]+,20.0,test,O=C(CCC1CCCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1
532046,O=C(CCC1CCCCO1)N1CCN(c2n[nH]c(C3CC3)c2)CC1,333.2285,[M+H]+,60.0,test,O=C(CCC1CCCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1
532047,O=C(CCC1CCCCO1)N1CCN(c2n[nH]c(C3CC3)c2)CC1,333.2285,[M+H]+,30.0,test,O=C(CCC1CCCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1
532048,O=C(CCC1CCCCO1)N1CCN(c2n[nH]c(C3CC3)c2)CC1,333.2285,[M+H]+,20.0,test,O=C(CCC1CCCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1
532049,O=C(CCC1CCCCO1)N1CCN(c2n[nH]c(C3CC3)c2)CC1,333.2285,[M+H]+,60.0,test,O=C(CCC1CCCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1
532050,O=C(CCC1CCCCO1)N1CCN(c2n[nH]c(C3CC3)c2)CC1,333.2285,[M+H]+,30.0,test,O=C(CCC1CCCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1
532051,O=C(CCC1CCCCO1)N1CCN(c2n[nH]c(C3CC3)c2)CC1,333.2285,[M+H]+,20.0,test,O=C(CCC1CCCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1
532052,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,333.2285,[M+H]+,20.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532053,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,333.2285,[M+H]+,20.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532054,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,333.2285,[M+H]+,60.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532055,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,333.2285,[M+H]+,30.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532056,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,333.2285,[M+H]+,20.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532057,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,333.2285,[M+H]+,60.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532058,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,333.2285,[M+H]+,30.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532059,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1,333.2285,[M+H]+,20.0,test,CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(N)=O)CC1
532060,Cc1nc(CCN2CCN(C(=O)CN3CCOCC3)CC2)ccc1,333.2285,[M+H]+,20.0,test,Cc1cccc(CCN2CCN(C(=O)CN3CCOCC3)CC2)n1
532061,Cc1nc(CCN2CCN(C(=O)CN3CCOCC3)CC2)ccc1,333.2285,[M+H]+,20.0,test,Cc1cccc(CCN2CCN(C(=O)CN3CCOCC3)CC2)n1
532062,Cc1nc(CCN2CCN(C(=O)CN3CCOCC3)CC2)ccc1,333.2285,[M+H]+,60.0,test,Cc1cccc(CCN2CCN(C(=O)CN3CCOCC3)CC2)n1
532063,Cc1nc(CCN2CCN(C(=O)CN3CCOCC3)CC2)ccc1,333.2285,[M+H]+,30.0,test,Cc1cccc(CCN2CCN(C(=O)CN3CCOCC3)CC2)n1
532064,Cc1nc(CCN2CCN(C(=O)CN3CCOCC3)CC2)ccc1,333.2285,[M+H]+,20.0,test,Cc1cccc(CCN2CCN(C(=O)CN3CCOCC3)CC2)n1
532065,Cc1nc(CCN2CCN(C(=O)CN3CCOCC3)CC2)ccc1,333.2285,[M+H]+,60.0,test,Cc1cccc(CCN2CCN(C(=O)CN3CCOCC3)CC2)n1
532066,Cc1nc(CCN2CCN(C(=O)CN3CCOCC3)CC2)ccc1,333.2285,[M+H]+,30.0,test,Cc1cccc(CCN2CCN(C(=O)CN3CCOCC3)CC2)n1
532067,Cc1nc(CCN2CCN(C(=O)CN3CCOCC3)CC2)ccc1,333.2285,[M+H]+,20.0,test,Cc1cccc(CCN2CCN(C(=O)CN3CCOCC3)CC2)n1
532068,CC1CCN(c2ncc(CNC(=O)N3CCC(O)CC3)cc2)CC1,333.2285,[M+H]+,20.0,test,CC1CCN(c2ccc(CNC(=O)N3CCC(O)CC3)cn2)CC1
532069,CC1CCN(c2ncc(CNC(=O)N3CCC(O)CC3)cc2)CC1,333.2285,[M+H]+,20.0,test,CC1CCN(c2ccc(CNC(=O)N3CCC(O)CC3)cn2)CC1
532070,CC1CCN(c2ncc(CNC(=O)N3CCC(O)CC3)cc2)CC1,333.2285,[M+H]+,30.0,test,CC1CCN(c2ccc(CNC(=O)N3CCC(O)CC3)cn2)CC1
532071,CC1CCN(c2ncc(CNC(=O)N3CCC(O)CC3)cc2)CC1,333.2285,[M+H]+,60.0,test,CC1CCN(c2ccc(CNC(=O)N3CCC(O)CC3)cn2)CC1
532072,CC1CCN(c2ncc(CNC(=O)N3CCC(O)CC3)cc2)CC1,333.2285,[M+H]+,20.0,test,CC1CCN(c2ccc(CNC(=O)N3CCC(O)CC3)cn2)CC1
532073,CC1CCN(c2ncc(CNC(=O)N3CCC(O)CC3)cc2)CC1,333.2285,[M+H]+,45.0,test,CC1CCN(c2ccc(CNC(=O)N3CCC(O)CC3)cn2)CC1
532074,CC1CCN(c2ncc(CNC(=O)N3CCC(O)CC3)cc2)CC1,333.2285,[M+H]+,60.0,test,CC1CCN(c2ccc(CNC(=O)N3CCC(O)CC3)cn2)CC1
532075,CC1CCN(c2ncc(CNC(=O)N3CCC(O)CC3)cc2)CC1,333.2285,[M+H]+,20.0,test,CC1CCN(c2ccc(CNC(=O)N3CCC(O)CC3)cn2)CC1
532076,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1,333.2285,[M+H]+,20.0,test,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1
532077,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1,333.2285,[M+H]+,20.0,test,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1
532078,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1,333.2285,[M+H]+,60.0,test,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1
532079,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1,333.2285,[M+H]+,20.0,test,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1
532080,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1,333.2285,[M+H]+,45.0,test,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1
532081,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1,333.2285,[M+H]+,60.0,test,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1
532082,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1,333.2285,[M+H]+,20.0,test,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1
532083,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1,333.2285,[M+H]+,45.0,test,CN1CCN(c2cccc(C(=O)NCC3(C)CCCCO3)n2)CC1
532084,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1,333.2285,[M+H]+,20.0,test,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1
532085,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1,333.2285,[M+H]+,20.0,test,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1
532086,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1,333.2285,[M+H]+,60.0,test,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1
532087,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1,333.2285,[M+H]+,30.0,test,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1
532088,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1,333.2285,[M+H]+,20.0,test,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1
532089,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1,333.2285,[M+H]+,60.0,test,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1
532090,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1,333.2285,[M+H]+,30.0,test,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1
532091,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1,333.2285,[M+H]+,20.0,test,CC1CN(C(=O)c2nn(C)c3c2CCCC3)CC1N1CCOCC1
532092,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,333.2285,[M+H]+,20.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532093,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,333.2285,[M+H]+,20.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532094,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,333.2285,[M+H]+,60.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532095,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,333.2285,[M+H]+,30.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532096,Cc1c(C(=O)NC2C3CCCC2CC(N)C3)c(=O)[nH]c(C(C)C)n1,333.2285,[M+H]+,20.0,test,Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1C2CCCC1CC(N)C2
532097,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1,333.2285,[M+H]+,20.0,test,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1
532098,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1,333.2285,[M+H]+,20.0,test,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1
532099,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1,333.2285,[M+H]+,60.0,test,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1
532100,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1,333.2285,[M+H]+,30.0,test,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1
532101,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1,333.2285,[M+H]+,20.0,test,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1
532102,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1,333.2285,[M+H]+,30.0,test,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1
532103,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1,333.2285,[M+H]+,20.0,test,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1
532104,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1,333.2285,[M+H]+,60.0,test,CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(c2ccccn2)CC1
532105,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,443.14284,[M-H]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532106,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,443.14284,[M-H]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532107,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,443.14284,[M-H]-,60.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532108,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,443.14284,[M-H]-,60.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532109,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,479.11951,[M+Cl]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532110,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,479.11951,[M+Cl]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532111,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,479.11951,[M+Cl]-,60.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532112,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,479.11951,[M+Cl]-,30.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532113,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,479.11951,[M+Cl]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532114,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,489.14831,[M+FA]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532115,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,489.14831,[M+FA]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532116,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,489.14831,[M+FA]-,60.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532117,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,489.14831,[M+FA]-,15.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532118,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,489.14831,[M+FA]-,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532119,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,445.15739,[M+H]+,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532120,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,445.15739,[M+H]+,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532121,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,445.15739,[M+H]+,60.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532122,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,445.15739,[M+H]+,30.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532123,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,445.15739,[M+H]+,20.0,test,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1
532124,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,465.16136,[M+FA]-,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532125,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,465.16136,[M+FA]-,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532126,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,465.16136,[M+FA]-,60.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532127,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,465.16136,[M+FA]-,15.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532128,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,465.16136,[M+FA]-,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532129,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,465.16136,[M+FA]-,60.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532130,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,465.16136,[M+FA]-,15.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532131,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,465.16136,[M+FA]-,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532132,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,438.19698,[M+NH4]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532133,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,438.19698,[M+NH4]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532134,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,438.19698,[M+NH4]+,60.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532135,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,438.19698,[M+NH4]+,15.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532136,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C,438.19698,[M+NH4]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(OC)O[C@@H]2C
532137,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1,304.23834,[M+H]+,20.0,test,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1
532138,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1,304.23834,[M+H]+,20.0,test,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1
532139,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1,304.23834,[M+H]+,60.0,test,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1
532140,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1,304.23834,[M+H]+,30.0,test,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1
532141,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1,304.23834,[M+H]+,20.0,test,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1
532142,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1,304.23834,[M+H]+,60.0,test,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1
532143,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1,304.23834,[M+H]+,30.0,test,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1
532144,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1,304.23834,[M+H]+,20.0,test,Cc1ccc(C(CNC(=O)C2CCCN(C)C2)N(C)C)cc1
532145,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,334.19586,[M-H]-,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532146,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,334.19586,[M-H]-,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532147,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,334.19586,[M-H]-,60.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532148,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,334.19586,[M-H]-,30.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532149,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,334.19586,[M-H]-,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532150,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,334.19586,[M-H]-,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532151,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,334.19586,[M-H]-,30.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532152,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,334.19586,[M-H]-,60.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532153,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,380.20134,[M+FA]-,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532154,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,380.20134,[M+FA]-,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532155,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,380.20134,[M+FA]-,60.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532156,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,380.20134,[M+FA]-,15.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532157,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,380.20134,[M+FA]-,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532158,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,336.21041,[M+H]+,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532159,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,336.21041,[M+H]+,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532160,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,336.21041,[M+H]+,60.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532161,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,336.21041,[M+H]+,30.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532162,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1,336.21041,[M+H]+,20.0,test,CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1
532163,Cc1c(CN2CCCCC2)c(CN2CCCCC2)c(C)s1,307.22025,[M+H]+,20.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532164,Cc1c(CN2CCCCC2)c(CN2CCCCC2)c(C)s1,307.22025,[M+H]+,20.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532165,Cc1c(CN2CCCCC2)c(CN2CCCCC2)c(C)s1,307.22025,[M+H]+,60.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532166,Cc1c(CN2CCCCC2)c(CN2CCCCC2)c(C)s1,307.22025,[M+H]+,30.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532167,Cc1c(CN2CCCCC2)c(CN2CCCCC2)c(C)s1,307.22025,[M+H]+,20.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532168,Cc1c(CN2CCCCC2)c(CN2CCCCC2)c(C)s1,307.22025,[M+H]+,60.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532169,Cc1c(CN2CCCCC2)c(CN2CCCCC2)c(C)s1,307.22025,[M+H]+,30.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532170,Cc1c(CN2CCCCC2)c(CN2CCCCC2)c(C)s1,307.22025,[M+H]+,20.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532171,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1,307.22025,[M+H]+,20.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532172,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1,307.22025,[M+H]+,20.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532173,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1,307.22025,[M+H]+,60.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532174,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1,307.22025,[M+H]+,30.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532175,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1,307.22025,[M+H]+,20.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532176,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1,307.22025,[M+H]+,60.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532177,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1,307.22025,[M+H]+,30.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532178,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1,307.22025,[M+H]+,20.0,test,Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1
532179,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,471.1751,[M+Cl]-,30.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532180,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,471.1751,[M+Cl]-,30.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532181,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,471.1751,[M+Cl]-,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532182,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,471.1751,[M+Cl]-,60.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532183,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,471.1751,[M+Cl]-,30.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532184,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,481.2039,[M+FA]-,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532185,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,481.2039,[M+FA]-,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532186,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,481.2039,[M+FA]-,60.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532187,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,481.2039,[M+FA]-,15.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532188,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,481.2039,[M+FA]-,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532189,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,401.19185,[M+H-2H2O]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532190,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,401.19185,[M+H-2H2O]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532191,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,401.19185,[M+H-2H2O]+,60.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532192,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,401.19185,[M+H-2H2O]+,30.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532193,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,401.19185,[M+H-2H2O]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532194,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,419.20241,[M+H-H2O]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532195,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,419.20241,[M+H-H2O]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532196,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,419.20241,[M+H-H2O]+,60.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532197,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,419.20241,[M+H-H2O]+,15.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532198,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,419.20241,[M+H-H2O]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532199,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,437.21297,[M+H]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532200,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,437.21297,[M+H]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532201,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,437.21297,[M+H]+,60.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532202,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,437.21297,[M+H]+,15.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532203,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,437.21297,[M+H]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532204,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,454.23952,[M+NH4]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532205,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,454.23952,[M+NH4]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532206,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,454.23952,[M+NH4]+,60.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532207,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,454.23952,[M+NH4]+,15.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532208,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C,454.23952,[M+NH4]+,20.0,test,CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C
532209,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,371.22193,[M+Cl]-,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532210,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,371.22193,[M+Cl]-,15.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532211,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,371.22193,[M+Cl]-,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532212,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,381.25073,[M+FA]-,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532213,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,381.25073,[M+FA]-,60.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532214,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,381.25073,[M+FA]-,15.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532215,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,381.25073,[M+FA]-,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532216,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,381.25073,[M+FA]-,60.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532217,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,381.25073,[M+FA]-,15.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532218,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,381.25073,[M+FA]-,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532219,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,337.2598,[M+H]+,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532220,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,337.2598,[M+H]+,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532221,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,337.2598,[M+H]+,60.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532222,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,337.2598,[M+H]+,30.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532223,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,337.2598,[M+H]+,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532224,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,337.2598,[M+H]+,60.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532225,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,337.2598,[M+H]+,30.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532226,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1,337.2598,[M+H]+,20.0,test,CNC(=O)CN1CCC(NC(=O)NC(C)C2CC3CCC2C3)CC1
532227,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O,359.20753,[M-H]-,20.0,test,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O
532228,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O,359.20753,[M-H]-,20.0,test,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O
532229,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O,359.20753,[M-H]-,60.0,test,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O
532230,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O,359.20753,[M-H]-,30.0,test,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O
532231,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O,359.20753,[M-H]-,20.0,test,CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)OC)C(=O)O
532232,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,441.19775,[M-H]-,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532233,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,441.19775,[M-H]-,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532234,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,441.19775,[M-H]-,60.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532235,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,441.19775,[M-H]-,30.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532236,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,441.19775,[M-H]-,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532237,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,487.20323,[M+FA]-,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532238,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,487.20323,[M+FA]-,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532239,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,487.20323,[M+FA]-,60.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532240,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,487.20323,[M+FA]-,15.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532241,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,487.20323,[M+FA]-,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532242,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,443.2123,[M+H]+,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532243,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,443.2123,[M+H]+,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532244,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,443.2123,[M+H]+,60.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532245,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,443.2123,[M+H]+,15.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532246,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,443.2123,[M+H]+,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532247,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,460.23885,[M+NH4]+,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532248,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,460.23885,[M+NH4]+,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532249,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,460.23885,[M+NH4]+,60.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532250,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,460.23885,[M+NH4]+,15.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532251,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,460.23885,[M+NH4]+,20.0,test,CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
532252,COc1cc2cc(-c3nnc4c(Cl)nc5ccccc5n34)c(Cl)nc2cc1,396.04134,[M+H]+,20.0,test,COc1ccc2nc(Cl)c(-c3nnc4c(Cl)nc5ccccc5n34)cc2c1
532253,COc1cc2cc(-c3nnc4c(Cl)nc5ccccc5n34)c(Cl)nc2cc1,396.04134,[M+H]+,20.0,test,COc1ccc2nc(Cl)c(-c3nnc4c(Cl)nc5ccccc5n34)cc2c1
532254,COc1cc2cc(-c3nnc4c(Cl)nc5ccccc5n34)c(Cl)nc2cc1,396.04134,[M+H]+,60.0,test,COc1ccc2nc(Cl)c(-c3nnc4c(Cl)nc5ccccc5n34)cc2c1
532255,COc1cc2cc(-c3nnc4c(Cl)nc5ccccc5n34)c(Cl)nc2cc1,396.04134,[M+H]+,20.0,test,COc1ccc2nc(Cl)c(-c3nnc4c(Cl)nc5ccccc5n34)cc2c1
532256,COc1cc2cc(-c3nnc4c(Cl)nc5ccccc5n34)c(Cl)nc2cc1,396.04134,[M+H]+,45.0,test,COc1ccc2nc(Cl)c(-c3nnc4c(Cl)nc5ccccc5n34)cc2c1
532257,Cc1c(C(=O)Nc2ncc(-c3cc4c(cc3Cl)OC(F)(F)O4)nc2)c(F)ccc1,422.05138,[M+H]+,20.0,test,Cc1cccc(F)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
532258,Cc1c(C(=O)Nc2ncc(-c3cc4c(cc3Cl)OC(F)(F)O4)nc2)c(F)ccc1,422.05138,[M+H]+,20.0,test,Cc1cccc(F)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
532259,Cc1c(C(=O)Nc2ncc(-c3cc4c(cc3Cl)OC(F)(F)O4)nc2)c(F)ccc1,422.05138,[M+H]+,60.0,test,Cc1cccc(F)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
532260,Cc1c(C(=O)Nc2ncc(-c3cc4c(cc3Cl)OC(F)(F)O4)nc2)c(F)ccc1,422.05138,[M+H]+,20.0,test,Cc1cccc(F)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
532261,Cc1c(C(=O)Nc2ncc(-c3cc4c(cc3Cl)OC(F)(F)O4)nc2)c(F)ccc1,422.05138,[M+H]+,45.0,test,Cc1cccc(F)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
532262,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532263,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532264,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,60.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532265,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532266,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,45.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532267,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532268,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532269,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532270,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,45.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532271,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532272,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,348.05453,[M-H]-,45.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532273,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532274,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532275,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,60.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532276,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532277,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,60.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532278,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532279,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532280,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,60.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532281,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532282,O=C(O)c1cc2nc(Nc3cc(Cl)ccc3)c3ccncc3c2cc1,350.06908,[M+H]+,60.0,test,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
532283,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,348.05453,[M-H]-,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532284,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,348.05453,[M-H]-,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532285,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,348.05453,[M-H]-,45.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532286,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,348.05453,[M-H]-,60.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532287,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,348.05453,[M-H]-,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532288,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,348.05453,[M-H]-,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532289,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,348.05453,[M-H]-,45.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532290,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,348.05453,[M-H]-,60.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532291,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,384.0312,[M+Cl]-,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532292,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,384.0312,[M+Cl]-,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532293,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,350.06908,[M+H]+,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532294,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,350.06908,[M+H]+,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532295,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,350.06908,[M+H]+,60.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532296,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,350.06908,[M+H]+,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532297,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,350.06908,[M+H]+,60.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532298,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1,350.06908,[M+H]+,20.0,test,O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
532299,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,430.0591,[M-H]-,20.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532300,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,430.0591,[M-H]-,20.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532301,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,430.0591,[M-H]-,60.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532302,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,430.0591,[M-H]-,30.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532303,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,430.0591,[M-H]-,20.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532304,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,432.07366,[M+H]+,20.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532305,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,432.07366,[M+H]+,20.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532306,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,432.07366,[M+H]+,60.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532307,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,432.07366,[M+H]+,30.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532308,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,432.07366,[M+H]+,20.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532309,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,432.07366,[M+H]+,60.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532310,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,432.07366,[M+H]+,30.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532311,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,432.07366,[M+H]+,20.0,test,O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
532312,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,20.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532313,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,20.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532314,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,60.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532315,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,15.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532316,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,20.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532317,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,60.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532318,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,15.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532319,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,20.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532320,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,15.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532321,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,15.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532322,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,20.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532323,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,60.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532324,CC(=O)Oc1cccc2c1C(=O)c1c(cc(C(=O)O)cc1OC(C)=O)C2=O,367.04594,[M-H]-,15.0,test,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
532325,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,363.06543,[M-H]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532326,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,363.06543,[M-H]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532327,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,363.06543,[M-H]-,45.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532328,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,363.06543,[M-H]-,60.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532329,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,363.06543,[M-H]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532330,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,363.06543,[M-H]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532331,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,363.06543,[M-H]-,45.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532332,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,363.06543,[M-H]-,60.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532333,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,399.0421,[M+Cl]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532334,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,399.0421,[M+Cl]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532335,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,399.0421,[M+Cl]-,60.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532336,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,399.0421,[M+Cl]-,15.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532337,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,399.0421,[M+Cl]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532338,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,409.07091,[M+FA]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532339,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,409.07091,[M+FA]-,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532340,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,409.07091,[M+FA]-,60.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532341,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,409.07091,[M+FA]-,30.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532342,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,365.07998,[M+H]+,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532343,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,365.07998,[M+H]+,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532344,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,365.07998,[M+H]+,45.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532345,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,365.07998,[M+H]+,60.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532346,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,365.07998,[M+H]+,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532347,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,365.07998,[M+H]+,45.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532348,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,365.07998,[M+H]+,60.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532349,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1,365.07998,[M+H]+,20.0,test,O=C(O)c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn23)c1
532350,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,422.11825,[M+FA]-,20.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532351,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,422.11825,[M+FA]-,60.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532352,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,422.11825,[M+FA]-,15.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532353,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,422.11825,[M+FA]-,20.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532354,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,378.12733,[M+H]+,20.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532355,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,378.12733,[M+H]+,20.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532356,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,378.12733,[M+H]+,60.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532357,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,378.12733,[M+H]+,20.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532358,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,378.12733,[M+H]+,60.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532359,Cn1cc(-c2nn3c(C(F)(F)c4cc5c(cc4)nccc5)nnc3cc2)cn1,378.12733,[M+H]+,20.0,test,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
532360,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,346.06557,[M-H]-,20.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532361,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,346.06557,[M-H]-,20.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532362,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,346.06557,[M-H]-,60.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532363,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,346.06557,[M-H]-,20.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532364,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,346.06557,[M-H]-,60.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532365,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,348.08012,[M+H]+,20.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532366,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,348.08012,[M+H]+,20.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532367,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,348.08012,[M+H]+,60.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532368,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,348.08012,[M+H]+,20.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532369,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1,348.08012,[M+H]+,60.0,test,O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1
532370,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1,316.09029,[M+H]+,75.0,test,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1
532371,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1,316.09029,[M+H]+,75.0,test,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1
532372,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1,316.09029,[M+H]+,75.0,test,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1
532373,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1,316.09029,[M+H]+,20.0,test,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1
532374,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1,316.09029,[M+H]+,60.0,test,c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1
532375,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,302.08227,[M-H]-,20.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532376,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,302.08227,[M-H]-,20.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532377,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,302.08227,[M-H]-,60.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532378,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,302.08227,[M-H]-,15.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532379,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,302.08227,[M-H]-,20.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532380,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1,304.09682,[M+H]+,20.0,test,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1
532381,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1,304.09682,[M+H]+,20.0,test,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1
532382,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1,304.09682,[M+H]+,45.0,test,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1
532383,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1,304.09682,[M+H]+,60.0,test,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1
532384,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1,304.09682,[M+H]+,20.0,test,O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1
532385,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,304.09682,[M+H]+,20.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532386,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,304.09682,[M+H]+,20.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532387,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,304.09682,[M+H]+,45.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532388,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,304.09682,[M+H]+,60.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532389,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,304.09682,[M+H]+,20.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532390,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,304.09682,[M+H]+,60.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532391,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,304.09682,[M+H]+,45.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532392,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1,304.09682,[M+H]+,20.0,test,Cc1ccc2cc(-c3nc4ccccc4cc3C(=O)O)oc2c1
532393,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1,471.98959,[M+H]+,20.0,test,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1
532394,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1,471.98959,[M+H]+,20.0,test,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1
532395,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1,471.98959,[M+H]+,60.0,test,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1
532396,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1,471.98959,[M+H]+,30.0,test,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1
532397,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1,471.98959,[M+H]+,20.0,test,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1
532398,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1,471.98959,[M+H]+,30.0,test,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1
532399,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1,471.98959,[M+H]+,20.0,test,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1
532400,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1,471.98959,[M+H]+,60.0,test,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(Br)cc2)cs1
532401,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,414.03208,[M-H]-,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532402,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,414.03208,[M-H]-,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532403,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,414.03208,[M-H]-,45.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532404,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,414.03208,[M-H]-,60.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532405,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,414.03208,[M-H]-,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532406,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,414.03208,[M-H]-,45.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532407,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,414.03208,[M-H]-,60.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532408,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,414.03208,[M-H]-,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532409,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,450.00876,[M+Cl]-,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532410,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,450.00876,[M+Cl]-,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532411,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,450.00876,[M+Cl]-,60.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532412,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,450.00876,[M+Cl]-,15.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532413,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,450.00876,[M+Cl]-,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532414,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,416.04663,[M+H]+,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532415,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,416.04663,[M+H]+,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532416,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,416.04663,[M+H]+,60.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532417,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,416.04663,[M+H]+,30.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532418,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,416.04663,[M+H]+,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532419,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,416.04663,[M+H]+,30.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532420,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,416.04663,[M+H]+,60.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532421,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1,416.04663,[M+H]+,20.0,test,O=S(=O)(NCc1ccco1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
532422,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,388.09145,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532423,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,388.09145,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532424,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,388.09145,[M-H]-,60.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532425,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,388.09145,[M-H]-,30.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532426,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,388.09145,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532427,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,388.09145,[M-H]-,60.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532428,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,388.09145,[M-H]-,30.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532429,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,388.09145,[M-H]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532430,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,424.06813,[M+Cl]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532431,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,424.06813,[M+Cl]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532432,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,424.06813,[M+Cl]-,60.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532433,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,424.06813,[M+Cl]-,15.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532434,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,424.06813,[M+Cl]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532435,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,434.09693,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532436,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,434.09693,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532437,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,434.09693,[M+FA]-,60.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532438,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,434.09693,[M+FA]-,15.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532439,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,434.09693,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532440,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,434.09693,[M+FA]-,60.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532441,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,434.09693,[M+FA]-,15.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532442,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,434.09693,[M+FA]-,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532443,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@]1(CO)c1ccccc1,388.09145,[M-H]-,20.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@]1(CO)c1ccccc1
532444,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@]1(CO)c1ccccc1,388.09145,[M-H]-,20.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@]1(CO)c1ccccc1
532445,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@]1(CO)c1ccccc1,388.09145,[M-H]-,60.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@]1(CO)c1ccccc1
532446,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@]1(CO)c1ccccc1,388.09145,[M-H]-,30.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@]1(CO)c1ccccc1
532447,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@]1(CO)c1ccccc1,388.09145,[M-H]-,20.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@]1(CO)c1ccccc1
532448,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@@]1(CO)c1ccccc1,434.09693,[M+FA]-,20.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1
532449,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@@]1(CO)c1ccccc1,434.09693,[M+FA]-,20.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1
532450,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@@]1(CO)c1ccccc1,434.09693,[M+FA]-,60.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1
532451,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@@]1(CO)c1ccccc1,434.09693,[M+FA]-,15.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1
532452,CN1C(=O)N(c2cc(C(F)(F)F)c(C#N)cc2)C(=O)[C@@]1(CO)c1ccccc1,434.09693,[M+FA]-,20.0,test,CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1
532453,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,390.106,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532454,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,390.106,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532455,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,390.106,[M+H]+,30.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532456,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,390.106,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532457,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,390.106,[M+H]+,15.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532458,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,390.106,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532459,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,390.106,[M+H]+,60.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532460,Cc1noc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,390.106,[M+H]+,20.0,test,Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
532461,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,416.0976,[M-H]-,15.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532462,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,416.0976,[M-H]-,15.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532463,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,416.0976,[M-H]-,20.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532464,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,416.0976,[M-H]-,60.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532465,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,416.0976,[M-H]-,15.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532466,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,462.10308,[M+FA]-,20.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532467,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,462.10308,[M+FA]-,20.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532468,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,462.10308,[M+FA]-,60.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532469,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,462.10308,[M+FA]-,15.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532470,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,462.10308,[M+FA]-,20.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532471,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,418.11215,[M+H]+,20.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532472,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,418.11215,[M+H]+,20.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532473,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,418.11215,[M+H]+,60.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532474,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,418.11215,[M+H]+,30.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532475,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,418.11215,[M+H]+,20.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532476,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,418.11215,[M+H]+,60.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532477,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,418.11215,[M+H]+,30.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532478,O=c1c2c(ncn1CC(O)c1ccc(OC(F)(F)F)cc1)n(-c1ccccc1)nn2,418.11215,[M+H]+,20.0,test,O=c1c2nnn(-c3ccccc3)c2ncn1CC(O)c1ccc(OC(F)(F)F)cc1
532479,N#CCc1ccccc1C#Cc1cc(F)c(CCC(=O)O)cc1,306.09358,[M-H]-,20.0,test,N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1
532480,N#CCc1ccccc1C#Cc1cc(F)c(CCC(=O)O)cc1,306.09358,[M-H]-,20.0,test,N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1
532481,N#CCc1ccccc1C#Cc1cc(F)c(CCC(=O)O)cc1,306.09358,[M-H]-,60.0,test,N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1
532482,N#CCc1ccccc1C#Cc1cc(F)c(CCC(=O)O)cc1,306.09358,[M-H]-,15.0,test,N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1
532483,N#CCc1ccccc1C#Cc1cc(F)c(CCC(=O)O)cc1,306.09358,[M-H]-,20.0,test,N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1
532484,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1,413.0449,[M-H]-,20.0,test,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1
532485,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1,413.0449,[M-H]-,20.0,test,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1
532486,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1,413.0449,[M-H]-,60.0,test,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1
532487,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1,413.0449,[M-H]-,30.0,test,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1
532488,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1,413.0449,[M-H]-,20.0,test,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1
532489,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1,413.0449,[M-H]-,60.0,test,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1
532490,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1,413.0449,[M-H]-,30.0,test,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1
532491,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1,413.0449,[M-H]-,20.0,test,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\c1ccc([N+](=O)[O-])cc1
532492,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,317.07541,[M-H]-,20.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532493,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,317.07541,[M-H]-,20.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532494,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,317.07541,[M-H]-,60.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532495,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,317.07541,[M-H]-,20.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532496,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,317.07541,[M-H]-,60.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532497,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,317.07541,[M-H]-,20.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532498,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,317.07541,[M-H]-,30.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532499,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,317.07541,[M-H]-,30.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532500,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,317.07541,[M-H]-,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532501,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,317.07541,[M-H]-,60.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532502,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,317.07541,[M-H]-,30.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532503,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,353.05208,[M+Cl]-,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532504,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,363.08089,[M+FA]-,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532505,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,363.08089,[M+FA]-,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532506,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,363.08089,[M+FA]-,60.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532507,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,363.08089,[M+FA]-,15.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532508,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,363.08089,[M+FA]-,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532509,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1,317.07541,[M-H]-,20.0,test,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
532510,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1,317.07541,[M-H]-,20.0,test,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
532511,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1,317.07541,[M-H]-,60.0,test,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
532512,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1,317.07541,[M-H]-,30.0,test,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
532513,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1,317.07541,[M-H]-,20.0,test,N#Cc1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
532514,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,319.08996,[M+H]+,20.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532515,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,319.08996,[M+H]+,20.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532516,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,319.08996,[M+H]+,45.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532517,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,319.08996,[M+H]+,60.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532518,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,319.08996,[M+H]+,20.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532519,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,319.08996,[M+H]+,60.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532520,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,319.08996,[M+H]+,45.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532521,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12,319.08996,[M+H]+,20.0,test,O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
532522,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,319.08996,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532523,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,319.08996,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532524,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,319.08996,[M+H]+,45.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532525,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,319.08996,[M+H]+,60.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532526,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,319.08996,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532527,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,319.08996,[M+H]+,60.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532528,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,319.08996,[M+H]+,45.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532529,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1,319.08996,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)Nc1ccc2scnc2c1
532530,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1,275.10666,[M+H]+,20.0,test,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1
532531,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1,275.10666,[M+H]+,20.0,test,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1
532532,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1,275.10666,[M+H]+,60.0,test,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1
532533,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1,275.10666,[M+H]+,20.0,test,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1
532534,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1,275.10666,[M+H]+,60.0,test,C=C=CC(=O)c1ccccc1C#Cc1ccc(OC)cc1
532535,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,321.07685,[M-H]-,20.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532536,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,321.07685,[M-H]-,20.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532537,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,321.07685,[M-H]-,60.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532538,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,321.07685,[M-H]-,15.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532539,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,321.07685,[M-H]-,20.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532540,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,321.07685,[M-H]-,20.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532541,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,321.07685,[M-H]-,15.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532542,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,321.07685,[M-H]-,60.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532543,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,357.05352,[M+Cl]-,20.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532544,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,357.05352,[M+Cl]-,20.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532545,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,357.05352,[M+Cl]-,60.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532546,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,357.05352,[M+Cl]-,15.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532547,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1,357.05352,[M+Cl]-,20.0,test,O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1
532548,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1,321.07685,[M-H]-,20.0,test,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1
532549,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1,321.07685,[M-H]-,20.0,test,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1
532550,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1,321.07685,[M-H]-,45.0,test,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1
532551,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1,321.07685,[M-H]-,60.0,test,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1
532552,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1,321.07685,[M-H]-,20.0,test,COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1
532553,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,486.96945,[M-H]-,20.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532554,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,486.96945,[M-H]-,20.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532555,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,486.96945,[M-H]-,60.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532556,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,486.96945,[M-H]-,15.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532557,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,486.96945,[M-H]-,20.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532558,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,486.96945,[M-H]-,60.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532559,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,486.96945,[M-H]-,15.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532560,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,486.96945,[M-H]-,20.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532561,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,488.984,[M+H]+,20.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532562,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,488.984,[M+H]+,20.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532563,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,488.984,[M+H]+,60.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532564,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,488.984,[M+H]+,30.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532565,O=C(O)c1cc2c(ccc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c2Cl)o1,488.984,[M+H]+,20.0,test,O=C(O)c1cc2c(Cl)c(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)ccc2o1
532566,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,426.99123,[M-H]-,20.0,test,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
532567,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,426.99123,[M-H]-,20.0,test,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
532568,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,426.99123,[M-H]-,60.0,test,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
532569,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,426.99123,[M-H]-,30.0,test,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
532570,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,426.99123,[M-H]-,20.0,test,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
532571,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,426.99123,[M-H]-,60.0,test,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
532572,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,426.99123,[M-H]-,30.0,test,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
532573,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,426.99123,[M-H]-,20.0,test,C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
532574,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2,339.08948,[M+H]+,20.0,test,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2
532575,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2,339.08948,[M+H]+,20.0,test,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2
532576,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2,339.08948,[M+H]+,60.0,test,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2
532577,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2,339.08948,[M+H]+,30.0,test,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2
532578,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2,339.08948,[M+H]+,20.0,test,COC(=O)c1nn(Cc2ccc(Cl)cc2)c2c1Cc1ccccc1-2
532579,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,333.09125,[M-H]-,20.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532580,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,333.09125,[M-H]-,60.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532581,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,333.09125,[M-H]-,20.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532582,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,333.09125,[M-H]-,60.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532583,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,335.1058,[M+H]+,20.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532584,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,335.1058,[M+H]+,20.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532585,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,335.1058,[M+H]+,60.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532586,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,335.1058,[M+H]+,15.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532587,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,335.1058,[M+H]+,20.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532588,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,335.1058,[M+H]+,60.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532589,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1,335.1058,[M+H]+,20.0,test,Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
532590,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12,327.07825,[M+H]+,20.0,test,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12
532591,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12,327.07825,[M+H]+,20.0,test,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12
532592,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12,327.07825,[M+H]+,45.0,test,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12
532593,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12,327.07825,[M+H]+,60.0,test,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12
532594,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12,327.07825,[M+H]+,20.0,test,Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12
532595,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,339.09619,[M+H]+,20.0,test,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1
532596,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,339.09619,[M+H]+,20.0,test,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1
532597,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,339.09619,[M+H]+,45.0,test,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1
532598,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,339.09619,[M+H]+,60.0,test,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1
532599,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,339.09619,[M+H]+,20.0,test,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1
532600,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,339.09619,[M+H]+,60.0,test,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1
532601,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,339.09619,[M+H]+,45.0,test,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1
532602,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,339.09619,[M+H]+,20.0,test,Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1
532603,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,427.08818,[M+FA]-,15.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532604,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,427.08818,[M+FA]-,15.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532605,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,427.08818,[M+FA]-,20.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532606,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,427.08818,[M+FA]-,60.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532607,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,427.08818,[M+FA]-,15.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532608,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,383.09725,[M+H]+,20.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532609,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,383.09725,[M+H]+,20.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532610,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,383.09725,[M+H]+,45.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532611,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,383.09725,[M+H]+,60.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532612,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,383.09725,[M+H]+,20.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532613,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,383.09725,[M+H]+,45.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532614,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,383.09725,[M+H]+,60.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532615,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1,383.09725,[M+H]+,20.0,test,O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(F)c1
532616,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,304.09792,[M-H]-,20.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532617,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,304.09792,[M-H]-,20.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532618,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,304.09792,[M-H]-,60.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532619,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,304.09792,[M-H]-,30.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532620,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,304.09792,[M-H]-,20.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532621,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,304.09792,[M-H]-,20.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532622,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,304.09792,[M-H]-,30.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532623,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,304.09792,[M-H]-,60.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532624,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,304.09792,[M-H]-,20.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532625,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,304.09792,[M-H]-,20.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532626,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,304.09792,[M-H]-,60.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532627,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,304.09792,[M-H]-,30.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532628,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,304.09792,[M-H]-,20.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532629,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1,306.11247,[M+H]+,20.0,test,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1
532630,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1,306.11247,[M+H]+,20.0,test,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1
532631,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1,306.11247,[M+H]+,60.0,test,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1
532632,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1,306.11247,[M+H]+,15.0,test,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1
532633,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1,306.11247,[M+H]+,20.0,test,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1
532634,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,306.11247,[M+H]+,20.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532635,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,306.11247,[M+H]+,20.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532636,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,306.11247,[M+H]+,60.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532637,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,306.11247,[M+H]+,30.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532638,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,306.11247,[M+H]+,20.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532639,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,306.11247,[M+H]+,30.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532640,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,306.11247,[M+H]+,20.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532641,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,306.11247,[M+H]+,60.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532642,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,323.13902,[M+NH4]+,20.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532643,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,323.13902,[M+NH4]+,20.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532644,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,323.13902,[M+NH4]+,60.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532645,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,323.13902,[M+NH4]+,30.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532646,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1,323.13902,[M+NH4]+,20.0,test,CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
532647,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,306.11247,[M+H]+,20.0,test,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
532648,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,306.11247,[M+H]+,20.0,test,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
532649,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,306.11247,[M+H]+,60.0,test,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
532650,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,306.11247,[M+H]+,30.0,test,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
532651,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,306.11247,[M+H]+,20.0,test,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
532652,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,306.11247,[M+H]+,60.0,test,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
532653,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,306.11247,[M+H]+,30.0,test,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
532654,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,306.11247,[M+H]+,20.0,test,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
532655,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,20.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532656,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,20.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532657,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,15.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532658,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,60.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532659,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,30.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532660,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,20.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532661,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,20.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532662,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,60.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532663,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1,306.11247,[M+H]+,30.0,test,CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1
532664,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2,306.11247,[M+H]+,20.0,test,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2
532665,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2,306.11247,[M+H]+,20.0,test,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2
532666,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2,306.11247,[M+H]+,60.0,test,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2
532667,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2,306.11247,[M+H]+,30.0,test,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2
532668,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2,306.11247,[M+H]+,20.0,test,O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2
532669,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,306.11247,[M+H]+,20.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532670,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,306.11247,[M+H]+,20.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532671,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,306.11247,[M+H]+,45.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532672,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,306.11247,[M+H]+,60.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532673,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,306.11247,[M+H]+,20.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532674,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,306.11247,[M+H]+,60.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532675,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,306.11247,[M+H]+,45.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532676,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,306.11247,[M+H]+,20.0,test,Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
532677,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,306.11247,[M+H]+,20.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532678,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,306.11247,[M+H]+,20.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532679,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,306.11247,[M+H]+,45.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532680,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,306.11247,[M+H]+,60.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532681,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2,306.11247,[M+H]+,20.0,test,O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
532682,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12,306.11247,[M+H]+,20.0,test,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12
532683,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12,306.11247,[M+H]+,20.0,test,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12
532684,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12,306.11247,[M+H]+,60.0,test,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12
532685,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12,306.11247,[M+H]+,15.0,test,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12
532686,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12,306.11247,[M+H]+,20.0,test,O=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12
532687,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,439.0301,[M-H]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532688,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,439.0301,[M-H]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532689,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,439.0301,[M-H]-,60.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532690,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,439.0301,[M-H]-,30.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532691,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,439.0301,[M-H]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532692,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,439.0301,[M-H]-,60.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532693,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,439.0301,[M-H]-,30.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532694,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,439.0301,[M-H]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532695,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,475.00677,[M+Cl]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532696,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,475.00677,[M+Cl]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532697,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,475.00677,[M+Cl]-,60.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532698,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,475.00677,[M+Cl]-,15.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532699,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,475.00677,[M+Cl]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532700,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,485.03557,[M+FA]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532701,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,485.03557,[M+FA]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532702,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,485.03557,[M+FA]-,60.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532703,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,485.03557,[M+FA]-,15.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532704,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,485.03557,[M+FA]-,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532705,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,441.04465,[M+H]+,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532706,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,441.04465,[M+H]+,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532707,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,441.04465,[M+H]+,60.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532708,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,441.04465,[M+H]+,20.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532709,CCc1nc(-c2cc(F)c(Cl)cc2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1,441.04465,[M+H]+,45.0,test,CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1
532710,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2,434.05719,[M+H]+,20.0,test,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2
532711,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2,434.05719,[M+H]+,20.0,test,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2
532712,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2,434.05719,[M+H]+,60.0,test,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2
532713,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2,434.05719,[M+H]+,15.0,test,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2
532714,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2,434.05719,[M+H]+,20.0,test,CCS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3Cl)no1)C(=O)CO2
532715,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,522.04918,[M+FA]-,15.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532716,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,522.04918,[M+FA]-,15.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532717,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,522.04918,[M+FA]-,20.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532718,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,522.04918,[M+FA]-,60.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532719,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,522.04918,[M+FA]-,15.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532720,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,478.05826,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532721,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,478.05826,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532722,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,478.05826,[M+H]+,60.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532723,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,478.05826,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532724,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,478.05826,[M+H]+,45.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532725,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,478.05826,[M+H]+,60.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532726,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,478.05826,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532727,O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3c4ccc(Cl)cc4ncc3)CC2)cc1,478.05826,[M+H]+,45.0,test,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1
532728,Cc1c(C)cc(-c2cnc(SCC(=O)Nc3c(F)ccc(F)c3)o2)cc1,375.09733,[M+H]+,20.0,test,Cc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C
532729,Cc1c(C)cc(-c2cnc(SCC(=O)Nc3c(F)ccc(F)c3)o2)cc1,375.09733,[M+H]+,20.0,test,Cc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C
532730,Cc1c(C)cc(-c2cnc(SCC(=O)Nc3c(F)ccc(F)c3)o2)cc1,375.09733,[M+H]+,60.0,test,Cc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C
532731,Cc1c(C)cc(-c2cnc(SCC(=O)Nc3c(F)ccc(F)c3)o2)cc1,375.09733,[M+H]+,30.0,test,Cc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C
532732,Cc1c(C)cc(-c2cnc(SCC(=O)Nc3c(F)ccc(F)c3)o2)cc1,375.09733,[M+H]+,20.0,test,Cc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C
532733,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F,375.09733,[M+H]+,20.0,test,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F
532734,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F,375.09733,[M+H]+,20.0,test,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F
532735,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F,375.09733,[M+H]+,60.0,test,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F
532736,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F,375.09733,[M+H]+,30.0,test,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F
532737,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F,375.09733,[M+H]+,20.0,test,O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F
532738,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12,375.09733,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12
532739,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12,375.09733,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12
532740,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12,375.09733,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12
532741,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12,375.09733,[M+H]+,60.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12
532742,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12,375.09733,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12
532743,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,418.11325,[M-H]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532744,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,418.11325,[M-H]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532745,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,418.11325,[M-H]-,45.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532746,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,418.11325,[M-H]-,60.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532747,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,418.11325,[M-H]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532748,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,418.11325,[M-H]-,45.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532749,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,418.11325,[M-H]-,60.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532750,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,418.11325,[M-H]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532751,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,454.08992,[M+Cl]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532752,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,454.08992,[M+Cl]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532753,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,454.08992,[M+Cl]-,60.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532754,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,454.08992,[M+Cl]-,15.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532755,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,464.11873,[M+FA]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532756,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,464.11873,[M+FA]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532757,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,464.11873,[M+FA]-,60.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532758,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,464.11873,[M+FA]-,15.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532759,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,464.11873,[M+FA]-,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532760,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,420.1278,[M+H]+,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532761,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,420.1278,[M+H]+,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532762,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,420.1278,[M+H]+,45.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532763,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,420.1278,[M+H]+,60.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532764,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,420.1278,[M+H]+,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532765,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,420.1278,[M+H]+,45.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532766,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,420.1278,[M+H]+,20.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532767,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1,420.1278,[M+H]+,60.0,test,O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1
532768,Cc1c(-c2cc3c(cc2)C(=O)N(C2CC2)C3)nnn1-c1c(F)nccc1,350.14116,[M+H]+,20.0,test,Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F
532769,Cc1c(-c2cc3c(cc2)C(=O)N(C2CC2)C3)nnn1-c1c(F)nccc1,350.14116,[M+H]+,20.0,test,Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F
532770,Cc1c(-c2cc3c(cc2)C(=O)N(C2CC2)C3)nnn1-c1c(F)nccc1,350.14116,[M+H]+,60.0,test,Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F
532771,Cc1c(-c2cc3c(cc2)C(=O)N(C2CC2)C3)nnn1-c1c(F)nccc1,350.14116,[M+H]+,30.0,test,Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F
532772,Cc1c(-c2cc3c(cc2)C(=O)N(C2CC2)C3)nnn1-c1c(F)nccc1,350.14116,[M+H]+,20.0,test,Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F
532773,Cc1c(-c2cc3c(cc2)C(=O)N(C2CC2)C3)nnn1-c1c(F)nccc1,350.14116,[M+H]+,60.0,test,Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F
532774,Cc1c(-c2cc3c(cc2)C(=O)N(C2CC2)C3)nnn1-c1c(F)nccc1,350.14116,[M+H]+,30.0,test,Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F
532775,Cc1c(-c2cc3c(cc2)C(=O)N(C2CC2)C3)nnn1-c1c(F)nccc1,350.14116,[M+H]+,20.0,test,Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F
532776,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F,350.14116,[M+H]+,20.0,test,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F
532777,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F,350.14116,[M+H]+,20.0,test,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F
532778,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F,350.14116,[M+H]+,45.0,test,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F
532779,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F,350.14116,[M+H]+,60.0,test,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F
532780,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F,350.14116,[M+H]+,20.0,test,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F
532781,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F,350.14116,[M+H]+,60.0,test,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F
532782,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F,350.14116,[M+H]+,45.0,test,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F
532783,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F,350.14116,[M+H]+,20.0,test,Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2Cc1ccccc1F
532784,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,364.12153,[M-H]-,20.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532785,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,364.12153,[M-H]-,20.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532786,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,364.12153,[M-H]-,60.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532787,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,364.12153,[M-H]-,30.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532788,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,364.12153,[M-H]-,20.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532789,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,366.13608,[M+H]+,20.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532790,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,366.13608,[M+H]+,20.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532791,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,366.13608,[M+H]+,60.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532792,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,366.13608,[M+H]+,30.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532793,CC1=C(C(=O)Nc2cc3c(cc2)[nH]nc3)C(c2ccc(F)cc2)NC(=O)N1,366.13608,[M+H]+,20.0,test,CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1
532794,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,324.10415,[M-H]-,20.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532795,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,324.10415,[M-H]-,20.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532796,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,324.10415,[M-H]-,60.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532797,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,324.10415,[M-H]-,30.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532798,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,324.10415,[M-H]-,20.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532799,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,326.1187,[M+H]+,20.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532800,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,326.1187,[M+H]+,20.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532801,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,326.1187,[M+H]+,60.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532802,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,326.1187,[M+H]+,30.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532803,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1,326.1187,[M+H]+,20.0,test,O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
532804,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1,326.1187,[M+H]+,20.0,test,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1
532805,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1,326.1187,[M+H]+,20.0,test,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1
532806,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1,326.1187,[M+H]+,60.0,test,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1
532807,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1,326.1187,[M+H]+,30.0,test,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1
532808,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1,326.1187,[M+H]+,20.0,test,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1
532809,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1,326.1187,[M+H]+,60.0,test,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1
532810,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1,326.1187,[M+H]+,30.0,test,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1
532811,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1,326.1187,[M+H]+,20.0,test,COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1
532812,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1,381.10159,[M+H]+,20.0,test,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1
532813,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1,381.10159,[M+H]+,20.0,test,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1
532814,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1,381.10159,[M+H]+,60.0,test,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1
532815,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1,381.10159,[M+H]+,20.0,test,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1
532816,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1,381.10159,[M+H]+,45.0,test,Cc1nc(-c2ccc(-c3noc(C(C)NC(=O)c4ccco4)n3)cc2)cs1
532817,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,379.10479,[M-H]-,20.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532818,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,379.10479,[M-H]-,20.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532819,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,379.10479,[M-H]-,60.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532820,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,379.10479,[M-H]-,30.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532821,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,379.10479,[M-H]-,20.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532822,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,381.11935,[M+H]+,20.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532823,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,381.11935,[M+H]+,20.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532824,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,381.11935,[M+H]+,60.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532825,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,381.11935,[M+H]+,30.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532826,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,381.11935,[M+H]+,20.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532827,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,381.11935,[M+H]+,60.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532828,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,381.11935,[M+H]+,30.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532829,O=C(O)Cc1ccc(Nc2nccc(Nc3cc(C(=O)O)c(O)cc3)n2)cc1,381.11935,[M+H]+,20.0,test,O=C(O)Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
532830,O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccccc2)nns1,393.10268,[M+FA]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1snnc1-c1ccccc1
532831,O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccccc2)nns1,393.10268,[M+FA]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1snnc1-c1ccccc1
532832,O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccccc2)nns1,393.10268,[M+FA]-,15.0,test,O=C(NCCc1c[nH]c2ccccc12)c1snnc1-c1ccccc1
532833,O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccccc2)nns1,393.10268,[M+FA]-,60.0,test,O=C(NCCc1c[nH]c2ccccc12)c1snnc1-c1ccccc1
532834,O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccccc2)nns1,393.10268,[M+FA]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1snnc1-c1ccccc1
532835,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,347.09721,[M-H]-,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532836,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,347.09721,[M-H]-,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532837,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,347.09721,[M-H]-,60.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532838,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,347.09721,[M-H]-,30.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532839,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,347.09721,[M-H]-,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532840,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,393.10268,[M+FA]-,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532841,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,393.10268,[M+FA]-,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532842,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,393.10268,[M+FA]-,60.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532843,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,393.10268,[M+FA]-,15.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532844,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,393.10268,[M+FA]-,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532845,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,349.11176,[M+H]+,20.0,test,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1
532846,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,349.11176,[M+H]+,20.0,test,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1
532847,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,349.11176,[M+H]+,60.0,test,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1
532848,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,349.11176,[M+H]+,30.0,test,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1
532849,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,349.11176,[M+H]+,20.0,test,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1
532850,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,349.11176,[M+H]+,60.0,test,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1
532851,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,349.11176,[M+H]+,30.0,test,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1
532852,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,349.11176,[M+H]+,20.0,test,Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1
532853,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,349.11176,[M+H]+,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532854,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,349.11176,[M+H]+,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532855,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,349.11176,[M+H]+,45.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532856,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,349.11176,[M+H]+,60.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532857,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,349.11176,[M+H]+,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532858,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,349.11176,[M+H]+,45.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532859,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,349.11176,[M+H]+,60.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532860,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1,349.11176,[M+H]+,20.0,test,Cn1cc(-c2ccc(CNC(=O)c3cc4ccccc4s3)cn2)cn1
532861,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1,349.11176,[M+H]+,20.0,test,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1
532862,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1,349.11176,[M+H]+,20.0,test,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1
532863,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1,349.11176,[M+H]+,60.0,test,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1
532864,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1,349.11176,[M+H]+,20.0,test,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1
532865,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1,349.11176,[M+H]+,60.0,test,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1
532866,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1,349.11176,[M+H]+,20.0,test,Cc1nc2ccccn2c1C(=O)NCc1cncc(-c2cccs2)c1
532867,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532868,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532869,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]-,60.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532870,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]-,30.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532871,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532872,COc1c(O)c2c[n+]3c(cc2cc1)-c1cc2c(cc1CC3)OCO2,322.10738,[M]+,20.0,test,COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2
532873,COc1c(O)c2c[n+]3c(cc2cc1)-c1cc2c(cc1CC3)OCO2,322.10738,[M]+,20.0,test,COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2
532874,COc1c(O)c2c[n+]3c(cc2cc1)-c1cc2c(cc1CC3)OCO2,322.10738,[M]+,60.0,test,COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2
532875,COc1c(O)c2c[n+]3c(cc2cc1)-c1cc2c(cc1CC3)OCO2,322.10738,[M]+,20.0,test,COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2
532876,COc1c(O)c2c[n+]3c(cc2cc1)-c1cc2c(cc1CC3)OCO2,322.10738,[M]+,45.0,test,COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2
532877,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532878,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532879,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]+,60.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532880,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532881,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]+,60.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532882,COc1c(O)cc2CC[n+]3c(cc4ccc5c(OCO5)c4c3)-c2c1,322.10738,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4
532883,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,20.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532884,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,20.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532885,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,60.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532886,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,15.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532887,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,20.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532888,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,20.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532889,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,20.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532890,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,60.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532891,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,30.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532892,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,20.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532893,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,60.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532894,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,30.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532895,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.02508,[M+H]+,20.0,test,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
532896,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,367.09673,[M-H]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532897,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,367.09673,[M-H]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532898,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,367.09673,[M-H]-,60.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532899,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,367.09673,[M-H]-,30.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532900,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,367.09673,[M-H]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532901,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,367.09673,[M-H]-,60.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532902,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,367.09673,[M-H]-,30.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532903,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,367.09673,[M-H]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532904,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,403.0734,[M+Cl]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532905,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,403.0734,[M+Cl]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532906,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,403.0734,[M+Cl]-,60.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532907,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,403.0734,[M+Cl]-,15.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532908,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,403.0734,[M+Cl]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532909,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,413.10221,[M+FA]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532910,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,413.10221,[M+FA]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532911,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,413.10221,[M+FA]-,60.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532912,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,413.10221,[M+FA]-,15.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532913,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,413.10221,[M+FA]-,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532914,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,367.09673,[M-H]-,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532915,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,367.09673,[M-H]-,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532916,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,367.09673,[M-H]-,60.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532917,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,367.09673,[M-H]-,15.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532918,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,367.09673,[M-H]-,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532919,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,403.0734,[M+Cl]-,15.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532920,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,403.0734,[M+Cl]-,15.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532921,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,403.0734,[M+Cl]-,60.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532922,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,403.0734,[M+Cl]-,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532923,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,403.0734,[M+Cl]-,15.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532924,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,413.10221,[M+FA]-,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532925,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,413.10221,[M+FA]-,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532926,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,413.10221,[M+FA]-,60.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532927,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,413.10221,[M+FA]-,15.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532928,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,413.10221,[M+FA]-,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532929,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,369.11128,[M+H]+,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532930,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,369.11128,[M+H]+,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532931,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,369.11128,[M+H]+,60.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532932,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,369.11128,[M+H]+,15.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532933,NC(=O)C[C@H](NC(=O)c1c(-c2ccccc2Cl)[nH]nc1)c1ccccc1,369.11128,[M+H]+,20.0,test,NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1Cl)c1ccccc1
532934,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,369.11128,[M+H]+,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532935,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,369.11128,[M+H]+,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532936,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,369.11128,[M+H]+,30.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532937,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,369.11128,[M+H]+,60.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532938,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,369.11128,[M+H]+,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532939,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,369.11128,[M+H]+,45.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532940,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,369.11128,[M+H]+,60.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532941,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1,369.11128,[M+H]+,20.0,test,O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
532942,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C,369.11128,[M+H]+,20.0,test,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C
532943,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C,369.11128,[M+H]+,20.0,test,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C
532944,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C,369.11128,[M+H]+,60.0,test,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C
532945,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C,369.11128,[M+H]+,30.0,test,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C
532946,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C,369.11128,[M+H]+,20.0,test,Cc1ccc(N2C(=O)C3N=NN(Cc4ccc(Cl)cc4)C3C2=O)cc1C
532947,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,373.12817,[M-H]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532948,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,373.12817,[M-H]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532949,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,373.12817,[M-H]-,60.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532950,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,373.12817,[M-H]-,30.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532951,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,373.12817,[M-H]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532952,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,373.12817,[M-H]-,60.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532953,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,373.12817,[M-H]-,30.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532954,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,373.12817,[M-H]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532955,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,409.10485,[M+Cl]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532956,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,409.10485,[M+Cl]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532957,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,409.10485,[M+Cl]-,60.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532958,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,409.10485,[M+Cl]-,15.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532959,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,409.10485,[M+Cl]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532960,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,419.13365,[M+FA]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532961,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,419.13365,[M+FA]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532962,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,419.13365,[M+FA]-,60.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532963,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,419.13365,[M+FA]-,15.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532964,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,419.13365,[M+FA]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532965,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,419.13365,[M+FA]-,60.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532966,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,419.13365,[M+FA]-,15.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532967,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,419.13365,[M+FA]-,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532968,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,375.14272,[M+H]+,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532969,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,375.14272,[M+H]+,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532970,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,375.14272,[M+H]+,60.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532971,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,375.14272,[M+H]+,30.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532972,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,375.14272,[M+H]+,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532973,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,375.14272,[M+H]+,60.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532974,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,375.14272,[M+H]+,30.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532975,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1,375.14272,[M+H]+,20.0,test,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
532976,CC(c1cc(F)c(F)cc1)N(C)C(=O)c1cn(Cc2cc(F)ccc2)nn1,375.14272,[M+H]+,20.0,test,CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cn(Cc2cccc(F)c2)nn1
532977,CC(c1cc(F)c(F)cc1)N(C)C(=O)c1cn(Cc2cc(F)ccc2)nn1,375.14272,[M+H]+,20.0,test,CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cn(Cc2cccc(F)c2)nn1
532978,CC(c1cc(F)c(F)cc1)N(C)C(=O)c1cn(Cc2cc(F)ccc2)nn1,375.14272,[M+H]+,60.0,test,CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cn(Cc2cccc(F)c2)nn1
532979,CC(c1cc(F)c(F)cc1)N(C)C(=O)c1cn(Cc2cc(F)ccc2)nn1,375.14272,[M+H]+,15.0,test,CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cn(Cc2cccc(F)c2)nn1
532980,CC(c1cc(F)c(F)cc1)N(C)C(=O)c1cn(Cc2cc(F)ccc2)nn1,375.14272,[M+H]+,20.0,test,CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cn(Cc2cccc(F)c2)nn1
532981,N#Cc1c(N2CC(Oc3cc(C(F)(F)F)ncc3)C2)nc2CCCCc2c1,375.14272,[M+H]+,20.0,test,N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2
532982,N#Cc1c(N2CC(Oc3cc(C(F)(F)F)ncc3)C2)nc2CCCCc2c1,375.14272,[M+H]+,20.0,test,N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2
532983,N#Cc1c(N2CC(Oc3cc(C(F)(F)F)ncc3)C2)nc2CCCCc2c1,375.14272,[M+H]+,60.0,test,N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2
532984,N#Cc1c(N2CC(Oc3cc(C(F)(F)F)ncc3)C2)nc2CCCCc2c1,375.14272,[M+H]+,20.0,test,N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2
532985,N#Cc1c(N2CC(Oc3cc(C(F)(F)F)ncc3)C2)nc2CCCCc2c1,375.14272,[M+H]+,45.0,test,N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2
532986,N#Cc1c(N2CC(Oc3cc(C(F)(F)F)ncc3)C2)nc2CCCCc2c1,375.14272,[M+H]+,60.0,test,N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2
532987,N#Cc1c(N2CC(Oc3cc(C(F)(F)F)ncc3)C2)nc2CCCCc2c1,375.14272,[M+H]+,20.0,test,N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2
532988,N#Cc1c(N2CC(Oc3cc(C(F)(F)F)ncc3)C2)nc2CCCCc2c1,375.14272,[M+H]+,45.0,test,N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2
532989,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,435.03126,[M-H]-,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532990,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,435.03126,[M-H]-,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532991,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,435.03126,[M-H]-,60.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532992,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,435.03126,[M-H]-,15.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532993,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,435.03126,[M-H]-,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532994,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,435.03126,[M-H]-,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532995,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,435.03126,[M-H]-,15.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532996,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,435.03126,[M-H]-,60.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532997,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,471.00794,[M+Cl]-,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532998,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,471.00794,[M+Cl]-,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
532999,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,471.00794,[M+Cl]-,60.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533000,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,471.00794,[M+Cl]-,15.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533001,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,471.00794,[M+Cl]-,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533002,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,471.00794,[M+Cl]-,60.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533003,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,471.00794,[M+Cl]-,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533004,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,471.00794,[M+Cl]-,15.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533005,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,437.04581,[M+H]+,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533006,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,437.04581,[M+H]+,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533007,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,437.04581,[M+H]+,60.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533008,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,437.04581,[M+H]+,15.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533009,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1,437.04581,[M+H]+,20.0,test,CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1
533010,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,364.13028,[M+FA]-,20.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533011,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,318.1248,[M-H]-,20.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533012,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,318.1248,[M-H]-,20.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533013,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,318.1248,[M-H]-,60.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533014,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,318.1248,[M-H]-,15.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533015,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,318.1248,[M-H]-,20.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533016,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,318.1248,[M-H]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533017,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,318.1248,[M-H]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533018,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,318.1248,[M-H]-,45.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533019,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,318.1248,[M-H]-,60.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533020,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,318.1248,[M-H]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533021,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,354.10148,[M+Cl]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533022,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,354.10148,[M+Cl]-,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533023,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,354.10148,[M+Cl]-,60.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533024,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1,320.13935,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1
533025,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1,320.13935,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1
533026,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1,320.13935,[M+H]+,60.0,test,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1
533027,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1,320.13935,[M+H]+,30.0,test,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1
533028,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1,320.13935,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1
533029,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1,320.13935,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1
533030,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1,320.13935,[M+H]+,60.0,test,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1
533031,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1,320.13935,[M+H]+,30.0,test,O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1
533032,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,320.13935,[M+H]+,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533033,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,320.13935,[M+H]+,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533034,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,320.13935,[M+H]+,60.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533035,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,320.13935,[M+H]+,30.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533036,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,320.13935,[M+H]+,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533037,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,320.13935,[M+H]+,60.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533038,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,320.13935,[M+H]+,30.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533039,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1,320.13935,[M+H]+,20.0,test,O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
533040,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,320.13935,[M+H]+,30.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533041,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,320.13935,[M+H]+,30.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533042,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,320.13935,[M+H]+,20.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533043,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,320.13935,[M+H]+,60.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533044,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,320.13935,[M+H]+,30.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533045,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,320.13935,[M+H]+,20.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533046,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,320.13935,[M+H]+,30.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533047,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1,320.13935,[M+H]+,60.0,test,COc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccccc1
533048,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,320.13935,[M+H]+,20.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533049,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,320.13935,[M+H]+,20.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533050,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,320.13935,[M+H]+,60.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533051,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,320.13935,[M+H]+,30.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533052,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,320.13935,[M+H]+,20.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533053,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,320.13935,[M+H]+,60.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533054,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,320.13935,[M+H]+,30.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533055,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1,320.13935,[M+H]+,20.0,test,Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1
533056,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1,320.13935,[M+H]+,20.0,test,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
533057,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1,320.13935,[M+H]+,20.0,test,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
533058,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1,320.13935,[M+H]+,45.0,test,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
533059,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1,320.13935,[M+H]+,60.0,test,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
533060,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1,320.13935,[M+H]+,20.0,test,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
533061,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1,320.13935,[M+H]+,45.0,test,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
533062,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1,320.13935,[M+H]+,60.0,test,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
533063,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1,320.13935,[M+H]+,20.0,test,CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
533064,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1,320.13935,[M+H]+,20.0,test,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1
533065,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1,320.13935,[M+H]+,20.0,test,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1
533066,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1,320.13935,[M+H]+,45.0,test,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1
533067,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1,320.13935,[M+H]+,60.0,test,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1
533068,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1,320.13935,[M+H]+,20.0,test,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1
533069,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1,320.13935,[M+H]+,45.0,test,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1
533070,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1,320.13935,[M+H]+,60.0,test,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1
533071,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1,320.13935,[M+H]+,20.0,test,c1ccc2oc(C3CCCN(c4nc5ccccc5o4)C3)nc2c1
533072,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,20.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533073,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,20.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533074,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,60.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533075,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,30.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533076,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,20.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533077,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,20.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533078,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,20.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533079,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,60.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533080,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,30.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533081,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,20.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533082,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,60.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533083,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,30.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533084,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,350.11463,[M-H]-,20.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533085,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,20.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533086,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,20.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533087,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,60.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533088,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,15.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533089,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,20.0,test,O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533090,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533091,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533092,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,30.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533093,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,60.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533094,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533095,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,45.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533096,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,60.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533097,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,352.12918,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O
533098,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,350.11463,[M-H]-,20.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533099,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,350.11463,[M-H]-,20.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533100,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,350.11463,[M-H]-,45.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533101,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,350.11463,[M-H]-,60.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533102,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,350.11463,[M-H]-,20.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533103,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,350.11463,[M-H]-,45.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533104,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,350.11463,[M-H]-,20.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533105,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,350.11463,[M-H]-,60.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533106,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,352.12918,[M+H]+,20.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533107,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,352.12918,[M+H]+,20.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533108,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,352.12918,[M+H]+,15.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533109,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,352.12918,[M+H]+,60.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533110,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,352.12918,[M+H]+,30.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533111,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,352.12918,[M+H]+,20.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533112,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,352.12918,[M+H]+,60.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533113,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1,352.12918,[M+H]+,20.0,test,CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1
533114,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,15.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533115,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,15.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533116,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533117,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533118,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,15.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533119,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533120,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533121,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533122,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,30.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533123,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533124,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533125,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533126,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533127,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,15.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533128,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,522.02173,[M-H]-,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533129,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533130,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533131,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533132,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,30.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533133,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533134,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,60.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533135,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,30.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533136,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,524.03629,[M+H]+,20.0,test,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1
533137,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,30.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533138,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,30.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533139,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,20.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533140,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,30.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533141,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,30.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533142,c1ccc(-c2nnc3sc(Cc4cc5c(cc4)CCCC5)nn23)nc1,348.12774,[M+H]+,20.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533143,c1ccc(-c2nnc3sc(Cc4cc5c(cc4)CCCC5)nn23)nc1,348.12774,[M+H]+,20.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533144,c1ccc(-c2nnc3sc(Cc4cc5c(cc4)CCCC5)nn23)nc1,348.12774,[M+H]+,60.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533145,c1ccc(-c2nnc3sc(Cc4cc5c(cc4)CCCC5)nn23)nc1,348.12774,[M+H]+,20.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533146,c1ccc(-c2nnc3sc(Cc4cc5c(cc4)CCCC5)nn23)nc1,348.12774,[M+H]+,45.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533147,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1,348.12774,[M+H]+,20.0,test,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1
533148,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1,348.12774,[M+H]+,20.0,test,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1
533149,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1,348.12774,[M+H]+,45.0,test,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1
533150,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1,348.12774,[M+H]+,60.0,test,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1
533151,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1,348.12774,[M+H]+,20.0,test,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1
533152,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1,348.12774,[M+H]+,20.0,test,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1
533153,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1,348.12774,[M+H]+,45.0,test,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1
533154,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1,348.12774,[M+H]+,60.0,test,c1ccc2nc(N3CCN(c4nsc5ccccc45)CC3)cnc2c1
533155,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1,348.12774,[M+H]+,20.0,test,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1
533156,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1,348.12774,[M+H]+,20.0,test,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1
533157,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1,348.12774,[M+H]+,45.0,test,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1
533158,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1,348.12774,[M+H]+,60.0,test,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1
533159,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1,348.12774,[M+H]+,20.0,test,Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1
533160,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1,348.12774,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1
533161,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1,348.12774,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1
533162,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1,348.12774,[M+H]+,60.0,test,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1
533163,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1,348.12774,[M+H]+,30.0,test,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1
533164,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1,348.12774,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1
533165,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1,348.12774,[M+H]+,45.0,test,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1
533166,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1,348.12774,[M+H]+,60.0,test,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1
533167,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1,348.12774,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1
533168,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1,348.12774,[M+H]+,20.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533169,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1,348.12774,[M+H]+,20.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533170,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1,348.12774,[M+H]+,45.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533171,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1,348.12774,[M+H]+,60.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533172,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1,348.12774,[M+H]+,20.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533173,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1,348.12774,[M+H]+,45.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533174,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1,348.12774,[M+H]+,60.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533175,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1,348.12774,[M+H]+,20.0,test,c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1
533176,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C,348.12774,[M+H]+,20.0,test,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C
533177,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C,348.12774,[M+H]+,20.0,test,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C
533178,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C,348.12774,[M+H]+,60.0,test,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C
533179,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C,348.12774,[M+H]+,30.0,test,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C
533180,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C,348.12774,[M+H]+,20.0,test,Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C
533181,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,20.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533182,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,20.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533183,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,60.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533184,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,30.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533185,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1,348.12774,[M+H]+,20.0,test,c1ccc(C2=Nn3c(CN4CCc5ccccc54)nnc3SC2)cc1
533186,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533187,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533188,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,60.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533189,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,30.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533190,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533191,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,60.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533192,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,30.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533193,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533194,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,479.06498,[M+H]+,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533195,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,479.06498,[M+H]+,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533196,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,479.06498,[M+H]+,60.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533197,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,479.06498,[M+H]+,45.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533198,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533199,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533200,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,60.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533201,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,30.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533202,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533203,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,60.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533204,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,30.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533205,CN(C)C(=O)c1ccc(S(=O)(=O)c2cc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1,477.05043,[M-H]-,20.0,test,CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
533206,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,370.07864,[M-H]-,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533207,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,370.07864,[M-H]-,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533208,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,370.07864,[M-H]-,60.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533209,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,370.07864,[M-H]-,30.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533210,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,370.07864,[M-H]-,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533211,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,370.07864,[M-H]-,60.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533212,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,370.07864,[M-H]-,30.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533213,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,370.07864,[M-H]-,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533214,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,406.05531,[M+Cl]-,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533215,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,406.05531,[M+Cl]-,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533216,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,406.05531,[M+Cl]-,60.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533217,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,406.05531,[M+Cl]-,15.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533218,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,406.05531,[M+Cl]-,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533219,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,372.09319,[M+H]+,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533220,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,372.09319,[M+H]+,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533221,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,372.09319,[M+H]+,60.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533222,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,372.09319,[M+H]+,30.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533223,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,372.09319,[M+H]+,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533224,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,372.09319,[M+H]+,60.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533225,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,372.09319,[M+H]+,30.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533226,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1,372.09319,[M+H]+,20.0,test,O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1
533227,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,398.10254,[M-H]-,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533228,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,398.10254,[M-H]-,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533229,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,398.10254,[M-H]-,60.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533230,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,398.10254,[M-H]-,30.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533231,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,398.10254,[M-H]-,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533232,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,444.10802,[M+FA]-,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533233,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,444.10802,[M+FA]-,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533234,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,444.10802,[M+FA]-,60.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533235,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,444.10802,[M+FA]-,15.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533236,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,444.10802,[M+FA]-,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533237,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,400.11709,[M+H]+,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533238,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,400.11709,[M+H]+,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533239,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,400.11709,[M+H]+,60.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533240,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,400.11709,[M+H]+,15.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533241,NC(=O)N1CCc2c1ccc(NC(=O)c1c(Cl)ccc(N3CCNC3=O)c1)c2,400.11709,[M+H]+,20.0,test,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
533242,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,398.10254,[M-H]-,20.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533243,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,398.10254,[M-H]-,20.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533244,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,398.10254,[M-H]-,60.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533245,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,398.10254,[M-H]-,30.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533246,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,398.10254,[M-H]-,20.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533247,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,444.10802,[M+FA]-,20.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533248,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,444.10802,[M+FA]-,20.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533249,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,444.10802,[M+FA]-,60.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533250,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,400.11709,[M+H]+,15.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533251,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,400.11709,[M+H]+,15.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533252,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,400.11709,[M+H]+,20.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533253,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,400.11709,[M+H]+,60.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533254,Cc1nn(CC(=O)NCCc2c[nH]c3c2cc(Cl)cc3)c(=O)c2noc(C)c12,400.11709,[M+H]+,15.0,test,Cc1nn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2noc(C)c12
533255,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc2cnc(NC3CCOCC3)nc21,389.14197,[M+H]+,20.0,test,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
533256,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc2cnc(NC3CCOCC3)nc21,389.14197,[M+H]+,20.0,test,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
533257,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc2cnc(NC3CCOCC3)nc21,389.14197,[M+H]+,60.0,test,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
533258,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc2cnc(NC3CCOCC3)nc21,389.14197,[M+H]+,20.0,test,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
533259,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc2cnc(NC3CCOCC3)nc21,389.14197,[M+H]+,45.0,test,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
533260,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc2cnc(NC3CCOCC3)nc21,389.14197,[M+H]+,60.0,test,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
533261,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc2cnc(NC3CCOCC3)nc21,389.14197,[M+H]+,20.0,test,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
533262,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc2cnc(NC3CCOCC3)nc21,389.14197,[M+H]+,45.0,test,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
533263,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3cscc3)cs2)CC1,388.09481,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
533264,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3cscc3)cs2)CC1,388.09481,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
533265,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3cscc3)cs2)CC1,388.09481,[M+H]+,60.0,test,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
533266,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3cscc3)cs2)CC1,388.09481,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
533267,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3cscc3)cs2)CC1,388.09481,[M+H]+,45.0,test,O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
533268,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2,433.0227,[M-H]-,20.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
533269,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2,433.0227,[M-H]-,20.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
533270,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2,433.0227,[M-H]-,60.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
533271,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2,433.0227,[M-H]-,20.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
533272,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2,433.0227,[M-H]-,60.0,test,Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
533273,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,433.0227,[M-H]-,20.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533274,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,433.0227,[M-H]-,20.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533275,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,433.0227,[M-H]-,60.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533276,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,433.0227,[M-H]-,60.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533277,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,435.03725,[M+H]+,20.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533278,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,435.03725,[M+H]+,20.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533279,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,435.03725,[M+H]+,45.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533280,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,435.03725,[M+H]+,60.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533281,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21,435.03725,[M+H]+,20.0,test,O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21
533282,COc1cccc(Nc2ncc3CN(Cc4cc(Br)cs4)CCc3n2)c1,431.05357,[M+H]+,20.0,test,COc1cccc(Nc2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)c1
533283,COc1cccc(Nc2ncc3CN(Cc4cc(Br)cs4)CCc3n2)c1,431.05357,[M+H]+,20.0,test,COc1cccc(Nc2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)c1
533284,COc1cccc(Nc2ncc3CN(Cc4cc(Br)cs4)CCc3n2)c1,431.05357,[M+H]+,60.0,test,COc1cccc(Nc2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)c1
533285,COc1cccc(Nc2ncc3CN(Cc4cc(Br)cs4)CCc3n2)c1,431.05357,[M+H]+,30.0,test,COc1cccc(Nc2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)c1
533286,COc1cccc(Nc2ncc3CN(Cc4cc(Br)cs4)CCc3n2)c1,431.05357,[M+H]+,20.0,test,COc1cccc(Nc2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)c1
533287,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,403.14997,[M-H]-,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533288,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,403.14997,[M-H]-,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533289,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,403.14997,[M-H]-,60.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533290,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,403.14997,[M-H]-,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533291,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,403.14997,[M-H]-,45.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533292,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,439.12664,[M+Cl]-,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533293,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,439.12664,[M+Cl]-,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533294,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,439.12664,[M+Cl]-,60.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533295,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,439.12664,[M+Cl]-,15.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533296,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,439.12664,[M+Cl]-,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533297,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,405.16452,[M+H]+,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533298,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,405.16452,[M+H]+,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533299,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,405.16452,[M+H]+,60.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533300,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,405.16452,[M+H]+,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533301,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,405.16452,[M+H]+,60.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533302,C[C@H]1COCCN1c1nc(NCc2c(C(F)(F)F)nccc2)c2cccnc2n1,405.16452,[M+H]+,20.0,test,C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
533303,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,389.09768,[M-H]-,20.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533304,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,389.09768,[M-H]-,20.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533305,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,389.09768,[M-H]-,60.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533306,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,389.09768,[M-H]-,15.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533307,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,389.09768,[M-H]-,20.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533308,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,425.07436,[M+Cl]-,30.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533309,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,425.07436,[M+Cl]-,20.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533310,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2,389.09768,[M-H]-,20.0,test,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2
533311,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2,389.09768,[M-H]-,20.0,test,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2
533312,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2,389.09768,[M-H]-,60.0,test,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2
533313,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2,389.09768,[M-H]-,30.0,test,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2
533314,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2,389.09768,[M-H]-,20.0,test,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2
533315,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2,389.09768,[M-H]-,60.0,test,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2
533316,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2,389.09768,[M-H]-,30.0,test,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2
533317,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2,389.09768,[M-H]-,20.0,test,O=C(O)c1cc(F)cc2c1CN(S(=O)(=O)N1CCc3ccccc3C1)CC2
533318,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,391.11223,[M+H]+,20.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533319,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,391.11223,[M+H]+,20.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533320,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,391.11223,[M+H]+,60.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533321,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,391.11223,[M+H]+,15.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533322,O=C(CCC(=O)N1CCc2c(ccs2)C1)NC(C(=O)O)c1ccccc1F,391.11223,[M+H]+,20.0,test,O=C(CCC(=O)N1CCc2sccc2C1)NC(C(=O)O)c1ccccc1F
533323,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,373.12052,[M-H]-,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533324,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,373.12052,[M-H]-,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533325,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,373.12052,[M-H]-,60.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533326,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,373.12052,[M-H]-,30.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533327,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,373.12052,[M-H]-,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533328,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,373.12052,[M-H]-,60.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533329,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,373.12052,[M-H]-,30.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533330,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,373.12052,[M-H]-,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533331,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,419.126,[M+FA]-,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533332,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,419.126,[M+FA]-,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533333,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,419.126,[M+FA]-,60.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533334,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,419.126,[M+FA]-,15.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533335,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,419.126,[M+FA]-,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533336,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,375.13508,[M+H]+,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533337,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,375.13508,[M+H]+,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533338,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,375.13508,[M+H]+,60.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533339,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,375.13508,[M+H]+,30.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533340,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,375.13508,[M+H]+,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533341,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,375.13508,[M+H]+,60.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533342,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,375.13508,[M+H]+,30.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533343,O=c1cc(CO)oc(CN2CCC(c3noc4c3ccc(F)c4)CC2)c1O,375.13508,[M+H]+,20.0,test,O=c1cc(CO)oc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O
533344,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,401.10891,[M-H]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533345,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,401.10891,[M-H]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533346,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,401.10891,[M-H]-,60.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533347,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,401.10891,[M-H]-,30.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533348,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,401.10891,[M-H]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533349,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,401.10891,[M-H]-,60.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533350,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,401.10891,[M-H]-,30.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533351,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,401.10891,[M-H]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533352,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,437.08559,[M+Cl]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533353,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,437.08559,[M+Cl]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533354,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,437.08559,[M+Cl]-,60.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533355,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,437.08559,[M+Cl]-,15.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533356,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,437.08559,[M+Cl]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533357,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,447.11439,[M+FA]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533358,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,447.11439,[M+FA]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533359,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,447.11439,[M+FA]-,60.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533360,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,447.11439,[M+FA]-,15.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533361,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,447.11439,[M+FA]-,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533362,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,401.10891,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533363,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,401.10891,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533364,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,401.10891,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533365,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,401.10891,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533366,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,401.10891,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533367,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,401.10891,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533368,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,401.10891,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533369,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,401.10891,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533370,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,437.08559,[M+Cl]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533371,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,447.11439,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533372,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,447.11439,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533373,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,447.11439,[M+FA]-,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533374,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,447.11439,[M+FA]-,15.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533375,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,447.11439,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533376,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,447.11439,[M+FA]-,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533377,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,447.11439,[M+FA]-,15.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533378,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,447.11439,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533379,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,403.12347,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533380,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,403.12347,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533381,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,403.12347,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533382,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,403.12347,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533383,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,403.12347,[M+H]+,15.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533384,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,403.12347,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533385,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,403.12347,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533386,Cc1ccc(S(=O)(=O)CCC(=O)Nc2nn(Cc3cc(F)ccc3)cn2)cc1,403.12347,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1
533387,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,403.12347,[M+H]+,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533388,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,403.12347,[M+H]+,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533389,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,403.12347,[M+H]+,60.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533390,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,403.12347,[M+H]+,30.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533391,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2c(-c3ccccc3F)[nH]nc2)c1,403.12347,[M+H]+,20.0,test,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)c1
533392,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,381.14808,[M-H]-,20.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533393,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,381.14808,[M-H]-,20.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533394,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,381.14808,[M-H]-,60.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533395,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,381.14808,[M-H]-,20.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533396,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,381.14808,[M-H]-,60.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533397,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,383.16263,[M+H]+,20.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533398,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,383.16263,[M+H]+,20.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533399,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,383.16263,[M+H]+,60.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533400,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,383.16263,[M+H]+,20.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533401,Cc1c(F)c(=O)[nH]c(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)n1,383.16263,[M+H]+,45.0,test,Cc1nc(N2CC3CN(c4cc(=O)n5ccccc5n4)CC3C2)[nH]c(=O)c1F
533402,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,336.13537,[M-H]-,20.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533403,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,336.13537,[M-H]-,20.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533404,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,336.13537,[M-H]-,60.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533405,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,336.13537,[M-H]-,20.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533406,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,336.13537,[M-H]-,45.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533407,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533408,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533409,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,60.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533410,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,30.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533411,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533412,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,372.11204,[M+Cl]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533413,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,372.11204,[M+Cl]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533414,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,372.11204,[M+Cl]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533415,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533416,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533417,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,60.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533418,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,15.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533419,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533420,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,336.13537,[M-H]-,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533421,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,336.13537,[M-H]-,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533422,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,336.13537,[M-H]-,60.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533423,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,336.13537,[M-H]-,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533424,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,336.13537,[M-H]-,45.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533425,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,336.13537,[M-H]-,60.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533426,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,336.13537,[M-H]-,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533427,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,336.13537,[M-H]-,45.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533428,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,382.14084,[M+FA]-,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533429,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,382.14084,[M+FA]-,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533430,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,382.14084,[M+FA]-,60.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533431,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,382.14084,[M+FA]-,15.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533432,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,382.14084,[M+FA]-,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533433,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,336.13537,[M-H]-,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533434,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,336.13537,[M-H]-,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533435,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,336.13537,[M-H]-,60.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533436,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,336.13537,[M-H]-,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533437,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,336.13537,[M-H]-,45.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533438,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,336.13537,[M-H]-,60.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533439,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,336.13537,[M-H]-,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533440,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,336.13537,[M-H]-,45.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533441,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,372.11204,[M+Cl]-,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533442,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,372.11204,[M+Cl]-,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533443,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,372.11204,[M+Cl]-,60.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533444,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,372.11204,[M+Cl]-,15.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533445,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,372.11204,[M+Cl]-,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533446,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533447,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533448,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,60.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533449,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,30.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533450,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533451,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533452,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533453,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,60.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533454,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,15.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533455,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,382.14084,[M+FA]-,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533456,COc1c(C)ccc(-c2noc(C3NCCOc4ccccc43)n2)c1,338.14992,[M+H]+,20.0,test,COc1cc(-c2noc(C3NCCOc4ccccc43)n2)ccc1C
533457,COc1c(C)ccc(-c2noc(C3NCCOc4ccccc43)n2)c1,338.14992,[M+H]+,20.0,test,COc1cc(-c2noc(C3NCCOc4ccccc43)n2)ccc1C
533458,COc1c(C)ccc(-c2noc(C3NCCOc4ccccc43)n2)c1,338.14992,[M+H]+,60.0,test,COc1cc(-c2noc(C3NCCOc4ccccc43)n2)ccc1C
533459,COc1c(C)ccc(-c2noc(C3NCCOc4ccccc43)n2)c1,338.14992,[M+H]+,15.0,test,COc1cc(-c2noc(C3NCCOc4ccccc43)n2)ccc1C
533460,COc1c(C)ccc(-c2noc(C3NCCOc4ccccc43)n2)c1,338.14992,[M+H]+,20.0,test,COc1cc(-c2noc(C3NCCOc4ccccc43)n2)ccc1C
533461,COc1cccc(OC)c1C(=O)Nc1c(C)n(-c2ccccc2)nc1,338.14992,[M+H]+,20.0,test,COc1cccc(OC)c1C(=O)Nc1cnn(-c2ccccc2)c1C
533462,COc1cccc(OC)c1C(=O)Nc1c(C)n(-c2ccccc2)nc1,338.14992,[M+H]+,20.0,test,COc1cccc(OC)c1C(=O)Nc1cnn(-c2ccccc2)c1C
533463,COc1cccc(OC)c1C(=O)Nc1c(C)n(-c2ccccc2)nc1,338.14992,[M+H]+,60.0,test,COc1cccc(OC)c1C(=O)Nc1cnn(-c2ccccc2)c1C
533464,COc1cccc(OC)c1C(=O)Nc1c(C)n(-c2ccccc2)nc1,338.14992,[M+H]+,30.0,test,COc1cccc(OC)c1C(=O)Nc1cnn(-c2ccccc2)c1C
533465,COc1cccc(OC)c1C(=O)Nc1c(C)n(-c2ccccc2)nc1,338.14992,[M+H]+,20.0,test,COc1cccc(OC)c1C(=O)Nc1cnn(-c2ccccc2)c1C
533466,COc1cccc(OC)c1C(=O)Nc1c(C)n(-c2ccccc2)nc1,338.14992,[M+H]+,60.0,test,COc1cccc(OC)c1C(=O)Nc1cnn(-c2ccccc2)c1C
533467,COc1cccc(OC)c1C(=O)Nc1c(C)n(-c2ccccc2)nc1,338.14992,[M+H]+,30.0,test,COc1cccc(OC)c1C(=O)Nc1cnn(-c2ccccc2)c1C
533468,COc1cccc(OC)c1C(=O)Nc1c(C)n(-c2ccccc2)nc1,338.14992,[M+H]+,20.0,test,COc1cccc(OC)c1C(=O)Nc1cnn(-c2ccccc2)c1C
533469,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,338.14992,[M+H]+,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533470,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,338.14992,[M+H]+,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533471,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,338.14992,[M+H]+,60.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533472,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,338.14992,[M+H]+,30.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533473,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1,338.14992,[M+H]+,20.0,test,O=C1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCN1
533474,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,320.13936,[M+H-H2O]+,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533475,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,320.13936,[M+H-H2O]+,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533476,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,320.13936,[M+H-H2O]+,60.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533477,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,320.13936,[M+H-H2O]+,30.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533478,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,320.13936,[M+H-H2O]+,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533479,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,338.14992,[M+H]+,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533480,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,338.14992,[M+H]+,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533481,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,338.14992,[M+H]+,60.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533482,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,338.14992,[M+H]+,15.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533483,COc1cccc(-c2n[nH]c(C(=O)Nc3c(C)ccc(CO)c3)c2)c1,338.14992,[M+H]+,20.0,test,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
533484,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533485,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533486,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,338.14992,[M+H]+,60.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533487,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,338.14992,[M+H]+,30.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533488,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533489,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,338.14992,[M+H]+,60.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533490,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,338.14992,[M+H]+,30.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533491,Cc1ccc(-c2nc(CCNC(=O)c3cn(C)c(=O)cc3)co2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1
533492,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,338.14992,[M+H]+,20.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533493,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,338.14992,[M+H]+,20.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533494,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,338.14992,[M+H]+,60.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533495,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,338.14992,[M+H]+,30.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533496,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,338.14992,[M+H]+,20.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533497,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,338.14992,[M+H]+,60.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533498,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,338.14992,[M+H]+,30.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533499,COCc1cc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)ccc1,338.14992,[M+H]+,20.0,test,COCc1cccc(C(=O)N(C)Cc2nc(=O)c3ccccc3[nH]2)c1
533500,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,20.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533501,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,20.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533502,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,60.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533503,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,30.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533504,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,20.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533505,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,338.14992,[M+H]+,20.0,test,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
533506,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,338.14992,[M+H]+,20.0,test,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
533507,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,338.14992,[M+H]+,60.0,test,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
533508,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,338.14992,[M+H]+,20.0,test,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
533509,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,338.14992,[M+H]+,45.0,test,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
533510,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,338.14992,[M+H]+,60.0,test,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
533511,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,338.14992,[M+H]+,20.0,test,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
533512,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,338.14992,[M+H]+,45.0,test,CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
533513,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,20.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533514,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,20.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533515,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,30.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533516,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,60.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533517,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,15.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533518,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,20.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533519,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,60.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533520,CC(C)n1nccc1-c1c(COc2cccc(O)c2C=O)cccn1,338.14992,[M+H]+,20.0,test,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
533521,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,336.13537,[M-H]-,30.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533522,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,336.13537,[M-H]-,30.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533523,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,336.13537,[M-H]-,20.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533524,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,336.13537,[M-H]-,60.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533525,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,336.13537,[M-H]-,30.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533526,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,338.14992,[M+H]+,20.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533527,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,338.14992,[M+H]+,20.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533528,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,338.14992,[M+H]+,60.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533529,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,338.14992,[M+H]+,30.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533530,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1,338.14992,[M+H]+,20.0,test,O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](CO)Cc1ccccc1
533531,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,336.13537,[M-H]-,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533532,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,336.13537,[M-H]-,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533533,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,336.13537,[M-H]-,60.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533534,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,336.13537,[M-H]-,15.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533535,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,336.13537,[M-H]-,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533536,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,382.14084,[M+FA]-,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533537,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,382.14084,[M+FA]-,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533538,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,382.14084,[M+FA]-,60.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533539,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,382.14084,[M+FA]-,15.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533540,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,382.14084,[M+FA]-,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533541,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,382.14084,[M+FA]-,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533542,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,382.14084,[M+FA]-,15.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533543,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,382.14084,[M+FA]-,60.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533544,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533545,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533546,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,336.13537,[M-H]-,45.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533547,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,336.13537,[M-H]-,60.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533548,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533549,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,336.13537,[M-H]-,45.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533550,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,336.13537,[M-H]-,20.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533551,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,336.13537,[M-H]-,60.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533552,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,336.13537,[M-H]-,20.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533553,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,336.13537,[M-H]-,20.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533554,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,336.13537,[M-H]-,45.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533555,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,336.13537,[M-H]-,60.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533556,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,336.13537,[M-H]-,20.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533557,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,336.13537,[M-H]-,45.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533558,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,336.13537,[M-H]-,60.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533559,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,336.13537,[M-H]-,20.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533560,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,336.13537,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533561,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,336.13537,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533562,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,336.13537,[M-H]-,60.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533563,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,336.13537,[M-H]-,30.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533564,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,336.13537,[M-H]-,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533565,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,372.11204,[M+Cl]-,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533566,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,372.11204,[M+Cl]-,15.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533567,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,382.14084,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533568,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,382.14084,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533569,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,382.14084,[M+FA]-,60.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533570,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,382.14084,[M+FA]-,15.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533571,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,382.14084,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533572,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,382.14084,[M+FA]-,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533573,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,382.14084,[M+FA]-,15.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533574,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,382.14084,[M+FA]-,60.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533575,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,336.13537,[M-H]-,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533576,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,336.13537,[M-H]-,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533577,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,336.13537,[M-H]-,60.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533578,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,336.13537,[M-H]-,30.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533579,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,336.13537,[M-H]-,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533580,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,336.13537,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533581,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,336.13537,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533582,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,336.13537,[M-H]-,45.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533583,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,336.13537,[M-H]-,60.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533584,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,336.13537,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533585,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,336.13537,[M-H]-,45.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533586,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,336.13537,[M-H]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533587,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,336.13537,[M-H]-,60.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533588,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,372.11204,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533589,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,372.11204,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533590,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,372.11204,[M+Cl]-,30.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533591,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,372.11204,[M+Cl]-,60.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533592,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,372.11204,[M+Cl]-,15.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533593,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,372.11204,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533594,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,372.11204,[M+Cl]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533595,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,372.11204,[M+Cl]-,60.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533596,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,382.14084,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533597,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,382.14084,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533598,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,382.14084,[M+FA]-,60.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533599,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,382.14084,[M+FA]-,15.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533600,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,382.14084,[M+FA]-,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533601,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,336.13537,[M-H]-,20.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533602,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,336.13537,[M-H]-,20.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533603,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,336.13537,[M-H]-,60.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533604,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,336.13537,[M-H]-,30.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533605,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,336.13537,[M-H]-,20.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533606,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,336.13537,[M-H]-,20.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533607,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,336.13537,[M-H]-,20.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533608,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,336.13537,[M-H]-,60.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533609,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,336.13537,[M-H]-,30.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533610,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,336.13537,[M-H]-,20.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533611,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,382.14084,[M+FA]-,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533612,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,382.14084,[M+FA]-,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533613,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,382.14084,[M+FA]-,60.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533614,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,382.14084,[M+FA]-,15.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533615,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,382.14084,[M+FA]-,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533616,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,338.14992,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533617,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,338.14992,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533618,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,338.14992,[M+H]+,60.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533619,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,338.14992,[M+H]+,30.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533620,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,338.14992,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533621,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,338.14992,[M+H]+,30.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533622,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,338.14992,[M+H]+,60.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533623,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1,338.14992,[M+H]+,20.0,test,Cc1noc(C)c1CC(=O)NCc1cccnc1Oc1ccccc1
533624,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1,338.14992,[M+H]+,20.0,test,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1
533625,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1,338.14992,[M+H]+,20.0,test,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1
533626,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1,338.14992,[M+H]+,60.0,test,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1
533627,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1,338.14992,[M+H]+,30.0,test,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1
533628,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1,338.14992,[M+H]+,20.0,test,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1
533629,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1,338.14992,[M+H]+,30.0,test,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1
533630,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1,338.14992,[M+H]+,20.0,test,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1
533631,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1,338.14992,[M+H]+,60.0,test,CN(Cc1cccnc1Oc1ccccc1)C(=O)NCc1ccco1
533632,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,338.14992,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533633,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,338.14992,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533634,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,338.14992,[M+H]+,60.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533635,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,338.14992,[M+H]+,30.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533636,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,338.14992,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533637,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,338.14992,[M+H]+,30.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533638,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,338.14992,[M+H]+,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533639,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,338.14992,[M+H]+,60.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533640,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,360.13186,[M+Na]+,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533641,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,360.13186,[M+Na]+,60.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533642,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,360.13186,[M+Na]+,30.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533643,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,360.13186,[M+Na]+,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533644,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,360.13186,[M+Na]+,20.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533645,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,360.13186,[M+Na]+,30.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533646,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1,360.13186,[M+Na]+,60.0,test,CC/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1
533647,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2,338.14992,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2
533648,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2,338.14992,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2
533649,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2,338.14992,[M+H]+,60.0,test,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2
533650,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2,338.14992,[M+H]+,30.0,test,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2
533651,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2,338.14992,[M+H]+,20.0,test,Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2
533652,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,320.13936,[M+H-H2O]+,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533653,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,320.13936,[M+H-H2O]+,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533654,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,320.13936,[M+H-H2O]+,60.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533655,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,320.13936,[M+H-H2O]+,30.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533656,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,320.13936,[M+H-H2O]+,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533657,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,320.13936,[M+H-H2O]+,60.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533658,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,320.13936,[M+H-H2O]+,30.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533659,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,320.13936,[M+H-H2O]+,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533660,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,338.14992,[M+H]+,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533661,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,338.14992,[M+H]+,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533662,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,338.14992,[M+H]+,45.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533663,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,338.14992,[M+H]+,60.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533664,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1,338.14992,[M+H]+,20.0,test,CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1
533665,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,338.14992,[M+H]+,15.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533666,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,338.14992,[M+H]+,15.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533667,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,338.14992,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533668,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,338.14992,[M+H]+,60.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533669,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,338.14992,[M+H]+,15.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533670,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,338.14992,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533671,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,338.14992,[M+H]+,60.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533672,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1,338.14992,[M+H]+,15.0,test,COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
533673,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1,338.14992,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1
533674,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1,338.14992,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1
533675,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1,338.14992,[M+H]+,60.0,test,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1
533676,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1,338.14992,[M+H]+,30.0,test,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1
533677,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1,338.14992,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1
533678,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1,338.14992,[M+H]+,60.0,test,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1
533679,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1,338.14992,[M+H]+,30.0,test,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1
533680,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1,338.14992,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1cccc1
533681,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21,338.14992,[M+H]+,20.0,test,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21
533682,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21,338.14992,[M+H]+,20.0,test,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21
533683,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21,338.14992,[M+H]+,45.0,test,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21
533684,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21,338.14992,[M+H]+,60.0,test,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21
533685,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21,338.14992,[M+H]+,20.0,test,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21
533686,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21,338.14992,[M+H]+,60.0,test,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21
533687,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21,338.14992,[M+H]+,45.0,test,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21
533688,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21,338.14992,[M+H]+,20.0,test,CC(C)n1cnc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc21
533689,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,338.14992,[M+H]+,20.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533690,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,338.14992,[M+H]+,20.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533691,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,338.14992,[M+H]+,60.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533692,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,338.14992,[M+H]+,30.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533693,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,338.14992,[M+H]+,20.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533694,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,338.14992,[M+H]+,30.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533695,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,338.14992,[M+H]+,60.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533696,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1,338.14992,[M+H]+,20.0,test,Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1
533697,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,338.14992,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533698,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,338.14992,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533699,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,338.14992,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533700,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,338.14992,[M+H]+,30.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533701,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,338.14992,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533702,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,338.14992,[M+H]+,45.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533703,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,338.14992,[M+H]+,20.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533704,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1,338.14992,[M+H]+,60.0,test,Cc1ccc(C(=O)NCCCNc2cc(=O)oc3ccccc23)cn1
533705,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21,338.14992,[M+H]+,20.0,test,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21
533706,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21,338.14992,[M+H]+,20.0,test,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21
533707,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21,338.14992,[M+H]+,60.0,test,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21
533708,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21,338.14992,[M+H]+,30.0,test,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21
533709,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21,338.14992,[M+H]+,20.0,test,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21
533710,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21,338.14992,[M+H]+,60.0,test,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21
533711,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21,338.14992,[M+H]+,30.0,test,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21
533712,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21,338.14992,[M+H]+,20.0,test,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(OC)ccc21
533713,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,338.14992,[M+H]+,20.0,test,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
533714,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,338.14992,[M+H]+,20.0,test,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
533715,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,338.14992,[M+H]+,60.0,test,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
533716,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,338.14992,[M+H]+,15.0,test,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
533717,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,338.14992,[M+H]+,20.0,test,CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
533718,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1
533719,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1
533720,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1,338.14992,[M+H]+,30.0,test,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1
533721,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1,338.14992,[M+H]+,60.0,test,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1
533722,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1,338.14992,[M+H]+,15.0,test,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1
533723,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1
533724,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1,338.14992,[M+H]+,60.0,test,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1
533725,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccc(CNC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1
533726,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,338.14992,[M+H]+,20.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533727,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,338.14992,[M+H]+,20.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533728,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,338.14992,[M+H]+,60.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533729,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,338.14992,[M+H]+,30.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533730,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,338.14992,[M+H]+,20.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533731,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,338.14992,[M+H]+,30.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533732,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,338.14992,[M+H]+,60.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533733,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1,338.14992,[M+H]+,20.0,test,CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)o1
533734,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1,338.14992,[M+H]+,20.0,test,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1
533735,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1,338.14992,[M+H]+,20.0,test,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1
533736,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1,338.14992,[M+H]+,60.0,test,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1
533737,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1,338.14992,[M+H]+,30.0,test,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1
533738,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1,338.14992,[M+H]+,20.0,test,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1
533739,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1,338.14992,[M+H]+,30.0,test,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1
533740,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1,338.14992,[M+H]+,60.0,test,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1
533741,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1,338.14992,[M+H]+,20.0,test,Cc1ccccc1CC(=O)N1CCC(c2noc(-c3ccco3)n2)C1
533742,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,320.13936,[M+H-H2O]+,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533743,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,320.13936,[M+H-H2O]+,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533744,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,320.13936,[M+H-H2O]+,60.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533745,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,320.13936,[M+H-H2O]+,30.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533746,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,320.13936,[M+H-H2O]+,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533747,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,320.13936,[M+H-H2O]+,30.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533748,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,320.13936,[M+H-H2O]+,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533749,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,320.13936,[M+H-H2O]+,60.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533750,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,338.14992,[M+H]+,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533751,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,338.14992,[M+H]+,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533752,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,338.14992,[M+H]+,60.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533753,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,338.14992,[M+H]+,15.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533754,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,338.14992,[M+H]+,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533755,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,338.14992,[M+H]+,45.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533756,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,338.14992,[M+H]+,60.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533757,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1,338.14992,[M+H]+,20.0,test,CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1
533758,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533759,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533760,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,338.14992,[M+H]+,60.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533761,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,338.14992,[M+H]+,15.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533762,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1,338.14992,[M+H]+,20.0,test,Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1
533763,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,352.13028,[M-H]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533764,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,352.13028,[M-H]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533765,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,352.13028,[M-H]-,60.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533766,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,352.13028,[M-H]-,30.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533767,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,352.13028,[M-H]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533768,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,352.13028,[M-H]-,60.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533769,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,352.13028,[M-H]-,30.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533770,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,352.13028,[M-H]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533771,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,388.10696,[M+Cl]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533772,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,388.10696,[M+Cl]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533773,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,388.10696,[M+Cl]-,60.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533774,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,388.10696,[M+Cl]-,30.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533775,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,388.10696,[M+Cl]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533776,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,388.10696,[M+Cl]-,60.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533777,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,388.10696,[M+Cl]-,30.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533778,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,388.10696,[M+Cl]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533779,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,398.13576,[M+FA]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533780,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,398.13576,[M+FA]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533781,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,398.13576,[M+FA]-,60.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533782,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,398.13576,[M+FA]-,15.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533783,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,398.13576,[M+FA]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533784,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,398.13576,[M+FA]-,60.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533785,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,398.13576,[M+FA]-,15.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533786,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,398.13576,[M+FA]-,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533787,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,354.14483,[M+H]+,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533788,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,354.14483,[M+H]+,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533789,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,354.14483,[M+H]+,60.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533790,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,354.14483,[M+H]+,30.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533791,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1,354.14483,[M+H]+,20.0,test,COc1cccc(N2CC(NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
533792,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,352.13028,[M-H]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533793,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,352.13028,[M-H]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533794,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,352.13028,[M-H]-,60.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533795,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,352.13028,[M-H]-,30.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533796,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,352.13028,[M-H]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533797,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,354.14483,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533798,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,354.14483,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533799,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,354.14483,[M+H]+,60.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533800,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,354.14483,[M+H]+,30.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533801,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c2c(C)noc2nc(C)c1,354.14483,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
533802,COc1cc(Oc2c(C)nc(N)nc2-c2c(O)cc(OC)cc2)ccc1,354.14483,[M+H]+,20.0,test,COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1
533803,COc1cc(Oc2c(C)nc(N)nc2-c2c(O)cc(OC)cc2)ccc1,354.14483,[M+H]+,20.0,test,COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1
533804,COc1cc(Oc2c(C)nc(N)nc2-c2c(O)cc(OC)cc2)ccc1,354.14483,[M+H]+,60.0,test,COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1
533805,COc1cc(Oc2c(C)nc(N)nc2-c2c(O)cc(OC)cc2)ccc1,354.14483,[M+H]+,20.0,test,COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1
533806,COc1cc(Oc2c(C)nc(N)nc2-c2c(O)cc(OC)cc2)ccc1,354.14483,[M+H]+,45.0,test,COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1
533807,COc1cc(Oc2c(C)nc(N)nc2-c2c(O)cc(OC)cc2)ccc1,354.14483,[M+H]+,60.0,test,COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1
533808,COc1cc(Oc2c(C)nc(N)nc2-c2c(O)cc(OC)cc2)ccc1,354.14483,[M+H]+,20.0,test,COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1
533809,COc1cc(Oc2c(C)nc(N)nc2-c2c(O)cc(OC)cc2)ccc1,354.14483,[M+H]+,45.0,test,COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1
533810,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1,354.14483,[M+H]+,20.0,test,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1
533811,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1,354.14483,[M+H]+,20.0,test,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1
533812,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1,354.14483,[M+H]+,60.0,test,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1
533813,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1,354.14483,[M+H]+,30.0,test,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1
533814,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1,354.14483,[M+H]+,20.0,test,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1
533815,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1,354.14483,[M+H]+,60.0,test,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1
533816,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1,354.14483,[M+H]+,30.0,test,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1
533817,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1,354.14483,[M+H]+,20.0,test,CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1
533818,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,428.0679,[M-H]-,30.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533819,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,428.0679,[M-H]-,30.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533820,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,428.0679,[M-H]-,60.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533821,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,428.0679,[M-H]-,20.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533822,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,428.0679,[M-H]-,30.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533823,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,430.08245,[M+H]+,20.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533824,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,430.08245,[M+H]+,20.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533825,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,430.08245,[M+H]+,60.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533826,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,430.08245,[M+H]+,30.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533827,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3,430.08245,[M+H]+,20.0,test,CSc1nc(NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3
533828,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533829,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533830,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,60.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533831,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,15.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533832,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533833,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533834,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533835,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,60.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533836,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,15.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533837,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533838,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533839,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533840,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,60.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533841,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,15.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533842,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533843,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,60.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533844,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,15.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533845,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,584.95607,[M-H]-,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533846,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,15.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533847,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,15.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533848,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,60.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533849,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,20.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533850,CCCNS(=O)(=O)Nc1c(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)ncn1,586.97062,[M+H]+,15.0,test,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
533851,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,340.12221,[M-H]-,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533852,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,340.12221,[M-H]-,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533853,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,340.12221,[M-H]-,60.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533854,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,340.12221,[M-H]-,30.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533855,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,340.12221,[M-H]-,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533856,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,386.12769,[M+FA]-,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533857,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,386.12769,[M+FA]-,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533858,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,386.12769,[M+FA]-,60.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533859,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,386.12769,[M+FA]-,15.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533860,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,342.13677,[M+H]+,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533861,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,342.13677,[M+H]+,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533862,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,342.13677,[M+H]+,60.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533863,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,342.13677,[M+H]+,30.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533864,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,342.13677,[M+H]+,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533865,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,342.13677,[M+H]+,60.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533866,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,342.13677,[M+H]+,30.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533867,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12,342.13677,[M+H]+,20.0,test,NC(=O)CCNCC(c1ccccc1Cl)c1c[nH]c2ccccc12
533868,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,342.13677,[M+H]+,20.0,test,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
533869,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,342.13677,[M+H]+,20.0,test,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
533870,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,342.13677,[M+H]+,60.0,test,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
533871,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,342.13677,[M+H]+,30.0,test,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
533872,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,342.13677,[M+H]+,20.0,test,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
533873,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,342.13677,[M+H]+,60.0,test,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
533874,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,342.13677,[M+H]+,30.0,test,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
533875,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,342.13677,[M+H]+,20.0,test,CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
533876,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,416.09535,[M-H]-,20.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533877,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,416.09535,[M-H]-,20.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533878,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,416.09535,[M-H]-,45.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533879,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,416.09535,[M-H]-,60.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533880,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,416.09535,[M-H]-,20.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533881,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,418.1099,[M+H]+,20.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533882,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,418.1099,[M+H]+,20.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533883,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,418.1099,[M+H]+,60.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533884,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,418.1099,[M+H]+,20.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533885,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O,418.1099,[M+H]+,60.0,test,Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O
533886,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,426.11047,[M-H]-,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533887,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,426.11047,[M-H]-,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533888,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,426.11047,[M-H]-,60.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533889,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,426.11047,[M-H]-,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533890,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,426.11047,[M-H]-,45.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533891,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,426.11047,[M-H]-,60.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533892,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,426.11047,[M-H]-,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533893,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,426.11047,[M-H]-,45.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533894,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,462.08715,[M+Cl]-,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533895,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,462.08715,[M+Cl]-,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533896,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,462.08715,[M+Cl]-,60.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533897,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,462.08715,[M+Cl]-,15.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533898,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,462.08715,[M+Cl]-,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533899,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,428.12502,[M+H]+,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533900,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,428.12502,[M+H]+,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533901,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,428.12502,[M+H]+,60.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533902,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,428.12502,[M+H]+,20.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533903,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,428.12502,[M+H]+,45.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533904,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,428.12502,[M+H]+,60.0,test,O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
533905,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,426.11047,[M-H]-,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533906,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,426.11047,[M-H]-,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533907,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,426.11047,[M-H]-,45.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533908,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,426.11047,[M-H]-,60.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533909,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,426.11047,[M-H]-,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533910,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,426.11047,[M-H]-,45.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533911,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,426.11047,[M-H]-,60.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533912,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,426.11047,[M-H]-,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533913,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,462.08715,[M+Cl]-,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533914,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,462.08715,[M+Cl]-,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533915,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,462.08715,[M+Cl]-,60.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533916,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,462.08715,[M+Cl]-,15.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533917,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,462.08715,[M+Cl]-,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533918,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,428.12502,[M+H]+,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533919,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,428.12502,[M+H]+,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533920,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,428.12502,[M+H]+,45.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533921,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,428.12502,[M+H]+,60.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533922,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,428.12502,[M+H]+,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533923,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,428.12502,[M+H]+,45.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533924,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,428.12502,[M+H]+,60.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533925,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1,428.12502,[M+H]+,20.0,test,Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1
533926,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,518.07852,[M-H]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533927,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,518.07852,[M-H]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533928,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,518.07852,[M-H]-,60.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533929,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,518.07852,[M-H]-,15.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533930,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,518.07852,[M-H]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533931,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,518.07852,[M-H]-,60.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533932,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,518.07852,[M-H]-,15.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533933,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,518.07852,[M-H]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533934,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,554.0552,[M+Cl]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533935,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,554.0552,[M+Cl]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533936,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,554.0552,[M+Cl]-,60.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533937,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,554.0552,[M+Cl]-,15.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533938,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,554.0552,[M+Cl]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533939,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,554.0552,[M+Cl]-,60.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533940,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,554.0552,[M+Cl]-,15.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533941,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,554.0552,[M+Cl]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533942,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,564.084,[M+FA]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533943,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,564.084,[M+FA]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533944,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,564.084,[M+FA]-,60.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533945,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,564.084,[M+FA]-,15.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533946,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,564.084,[M+FA]-,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533947,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,520.09307,[M+H]+,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533948,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,520.09307,[M+H]+,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533949,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,520.09307,[M+H]+,60.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533950,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,520.09307,[M+H]+,20.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533951,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,520.09307,[M+H]+,45.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533952,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,520.09307,[M+H]+,60.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533953,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn23)[C@H](O)[C@@H]1O,520.09307,[M+H]+,45.0,test,NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
533954,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,368.15283,[M-H]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533955,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,368.15283,[M-H]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533956,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,368.15283,[M-H]-,60.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533957,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,368.15283,[M-H]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533958,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,368.15283,[M-H]-,45.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533959,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,368.15283,[M-H]-,60.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533960,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,368.15283,[M-H]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533961,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,368.15283,[M-H]-,45.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533962,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,404.1295,[M+Cl]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533963,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,404.1295,[M+Cl]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533964,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,404.1295,[M+Cl]-,60.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533965,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,404.1295,[M+Cl]-,15.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533966,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,414.15831,[M+FA]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533967,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,414.15831,[M+FA]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533968,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,414.15831,[M+FA]-,60.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533969,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,414.15831,[M+FA]-,15.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533970,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,414.15831,[M+FA]-,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533971,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,370.16738,[M+H]+,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533972,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,370.16738,[M+H]+,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533973,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,370.16738,[M+H]+,60.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533974,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,370.16738,[M+H]+,30.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533975,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,370.16738,[M+H]+,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533976,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,370.16738,[M+H]+,60.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533977,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,370.16738,[M+H]+,30.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533978,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1,370.16738,[M+H]+,20.0,test,O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nc3c(F)cccc3o2)C1
533979,O=C1NCCc2c1cc(NC(=O)N1CCN(c3c(F)cccn3)CC1)cc2,370.16738,[M+H]+,20.0,test,O=C1NCCc2ccc(NC(=O)N3CCN(c4ncccc4F)CC3)cc21
533980,O=C1NCCc2c1cc(NC(=O)N1CCN(c3c(F)cccn3)CC1)cc2,370.16738,[M+H]+,20.0,test,O=C1NCCc2ccc(NC(=O)N3CCN(c4ncccc4F)CC3)cc21
533981,O=C1NCCc2c1cc(NC(=O)N1CCN(c3c(F)cccn3)CC1)cc2,370.16738,[M+H]+,60.0,test,O=C1NCCc2ccc(NC(=O)N3CCN(c4ncccc4F)CC3)cc21
533982,O=C1NCCc2c1cc(NC(=O)N1CCN(c3c(F)cccn3)CC1)cc2,370.16738,[M+H]+,15.0,test,O=C1NCCc2ccc(NC(=O)N3CCN(c4ncccc4F)CC3)cc21
533983,O=C1NCCc2c1cc(NC(=O)N1CCN(c3c(F)cccn3)CC1)cc2,370.16738,[M+H]+,20.0,test,O=C1NCCc2ccc(NC(=O)N3CCN(c4ncccc4F)CC3)cc21
533984,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,368.15283,[M-H]-,20.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533985,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,368.15283,[M-H]-,20.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533986,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,368.15283,[M-H]-,45.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533987,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,368.15283,[M-H]-,60.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533988,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,368.15283,[M-H]-,20.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533989,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,414.15831,[M+FA]-,15.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533990,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,370.16738,[M+H]+,20.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533991,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,370.16738,[M+H]+,20.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533992,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,370.16738,[M+H]+,60.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533993,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,370.16738,[M+H]+,30.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533994,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,370.16738,[M+H]+,20.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533995,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,370.16738,[M+H]+,60.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533996,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,370.16738,[M+H]+,30.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533997,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1,370.16738,[M+H]+,20.0,test,Fc1ccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
533998,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,339.11727,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
533999,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,339.11727,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534000,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,339.11727,[M-H]-,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534001,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,339.11727,[M-H]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534002,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,339.11727,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534003,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,339.11727,[M-H]-,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534004,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,339.11727,[M-H]-,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534005,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,339.11727,[M-H]-,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534006,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,339.11727,[M-H]-,20.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534007,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,339.11727,[M-H]-,20.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534008,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,339.11727,[M-H]-,45.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534009,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,339.11727,[M-H]-,60.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534010,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,339.11727,[M-H]-,20.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534011,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1,339.11727,[M-H]-,20.0,test,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1
534012,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1,339.11727,[M-H]-,20.0,test,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1
534013,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1,339.11727,[M-H]-,45.0,test,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1
534014,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1,339.11727,[M-H]-,60.0,test,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1
534015,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1,339.11727,[M-H]-,20.0,test,Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1
534016,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,339.11727,[M-H]-,20.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534017,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,339.11727,[M-H]-,20.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534018,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,339.11727,[M-H]-,45.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534019,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,339.11727,[M-H]-,60.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534020,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,339.11727,[M-H]-,20.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534021,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,339.11727,[M-H]-,20.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534022,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,339.11727,[M-H]-,45.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534023,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,339.11727,[M-H]-,60.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534024,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1,341.13182,[M+H]+,20.0,test,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1
534025,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1,341.13182,[M+H]+,20.0,test,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1
534026,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1,341.13182,[M+H]+,30.0,test,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1
534027,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1,341.13182,[M+H]+,60.0,test,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1
534028,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1,341.13182,[M+H]+,20.0,test,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1
534029,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1,341.13182,[M+H]+,30.0,test,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1
534030,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1,341.13182,[M+H]+,60.0,test,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1
534031,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1,341.13182,[M+H]+,20.0,test,CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1
534032,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1,341.13182,[M+H]+,20.0,test,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1
534033,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1,341.13182,[M+H]+,20.0,test,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1
534034,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1,341.13182,[M+H]+,60.0,test,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1
534035,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1,341.13182,[M+H]+,30.0,test,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1
534036,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1,341.13182,[M+H]+,20.0,test,Cc1ccc(C)c(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)c1
534037,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1,341.13182,[M+H]+,20.0,test,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
534038,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1,341.13182,[M+H]+,20.0,test,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
534039,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1,341.13182,[M+H]+,60.0,test,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
534040,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1,341.13182,[M+H]+,15.0,test,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
534041,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1,341.13182,[M+H]+,20.0,test,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
534042,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1,341.13182,[M+H]+,60.0,test,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
534043,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1,341.13182,[M+H]+,15.0,test,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
534044,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1,341.13182,[M+H]+,20.0,test,c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
534045,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1,341.13182,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1
534046,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1,341.13182,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1
534047,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1,341.13182,[M+H]+,60.0,test,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1
534048,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1,341.13182,[M+H]+,30.0,test,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1
534049,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1,341.13182,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1
534050,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1,341.13182,[M+H]+,30.0,test,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1
534051,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1,341.13182,[M+H]+,60.0,test,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1
534052,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1,341.13182,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1
534053,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,341.13182,[M+H]+,20.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534054,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,341.13182,[M+H]+,20.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534055,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,341.13182,[M+H]+,60.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534056,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,341.13182,[M+H]+,30.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534057,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1,341.13182,[M+H]+,20.0,test,CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1
534058,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C,341.13182,[M+H]+,20.0,test,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C
534059,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C,341.13182,[M+H]+,20.0,test,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C
534060,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C,341.13182,[M+H]+,60.0,test,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C
534061,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C,341.13182,[M+H]+,20.0,test,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C
534062,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C,341.13182,[M+H]+,60.0,test,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C
534063,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C,341.13182,[M+H]+,20.0,test,CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C
534064,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,341.13182,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534065,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,341.13182,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534066,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,341.13182,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534067,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,341.13182,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534068,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,341.13182,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534069,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,341.13182,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534070,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,341.13182,[M+H]+,45.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534071,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C,341.13182,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C
534072,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1,341.13182,[M+H]+,20.0,test,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1
534073,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1,341.13182,[M+H]+,20.0,test,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1
534074,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1,341.13182,[M+H]+,30.0,test,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1
534075,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1,341.13182,[M+H]+,60.0,test,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1
534076,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1,341.13182,[M+H]+,15.0,test,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1
534077,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1,341.13182,[M+H]+,20.0,test,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1
534078,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1,341.13182,[M+H]+,20.0,test,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1
534079,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1,341.13182,[M+H]+,60.0,test,Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccco1
534080,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,341.13182,[M+H]+,20.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534081,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,341.13182,[M+H]+,20.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534082,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,341.13182,[M+H]+,60.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534083,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,341.13182,[M+H]+,30.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534084,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,341.13182,[M+H]+,20.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534085,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,341.13182,[M+H]+,60.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534086,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,341.13182,[M+H]+,30.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534087,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1,341.13182,[M+H]+,20.0,test,CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1
534088,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,403.09693,[M-H]-,20.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534089,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,403.09693,[M-H]-,20.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534090,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,403.09693,[M-H]-,60.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534091,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,403.09693,[M-H]-,30.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534092,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,403.09693,[M-H]-,20.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534093,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,405.11148,[M+H]+,20.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534094,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,405.11148,[M+H]+,20.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534095,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,405.11148,[M+H]+,60.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534096,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,405.11148,[M+H]+,30.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534097,COc1cc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(OC)cc1,405.11148,[M+H]+,20.0,test,COc1ccc(OC)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
534098,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,295.13397,[M-H]-,20.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534099,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,295.13397,[M-H]-,20.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534100,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,295.13397,[M-H]-,60.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534101,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,295.13397,[M-H]-,20.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534102,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,295.13397,[M-H]-,45.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534103,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,295.13397,[M-H]-,20.0,test,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1
534104,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,295.13397,[M-H]-,20.0,test,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1
534105,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,295.13397,[M-H]-,60.0,test,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1
534106,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,295.13397,[M-H]-,30.0,test,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1
534107,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,295.13397,[M-H]-,20.0,test,O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1
534108,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,295.13397,[M-H]-,20.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534109,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,295.13397,[M-H]-,20.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534110,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,295.13397,[M-H]-,60.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534111,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,295.13397,[M-H]-,20.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534112,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,295.13397,[M-H]-,60.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534113,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,297.14852,[M+H]+,20.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534114,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,297.14852,[M+H]+,20.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534115,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,297.14852,[M+H]+,60.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534116,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,297.14852,[M+H]+,30.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534117,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1,297.14852,[M+H]+,20.0,test,O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
534118,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,296.14124,[M]+,20.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534119,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,296.14124,[M]+,20.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534120,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,296.14124,[M]+,60.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534121,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,296.14124,[M]+,30.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534122,CC(C)=CCc1c(C)c2c(cc1O)oc1cc(C)cc(O)c12,296.14124,[M]+,20.0,test,CC(C)=CCc1c(O)cc2oc3cc(C)cc(O)c3c2c1C
534123,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,379.09539,[M+Cl]-,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534124,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,379.09539,[M+Cl]-,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534125,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,379.09539,[M+Cl]-,60.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534126,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,379.09539,[M+Cl]-,15.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534127,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,379.09539,[M+Cl]-,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534128,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,389.12419,[M+FA]-,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534129,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,389.12419,[M+FA]-,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534130,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,389.12419,[M+FA]-,60.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534131,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,389.12419,[M+FA]-,15.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534132,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,389.12419,[M+FA]-,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534133,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,362.15981,[M+NH4]+,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534134,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,362.15981,[M+NH4]+,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534135,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,362.15981,[M+NH4]+,60.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534136,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,362.15981,[M+NH4]+,30.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534137,C[C@@]12C[C@H](c3cocc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2,362.15981,[M+NH4]+,20.0,test,C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@H]2C[C@@H]2C[C@H]1C(=O)O2
534138,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,343.11871,[M-H]-,20.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534139,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,343.11871,[M-H]-,20.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534140,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,343.11871,[M-H]-,60.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534141,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,343.11871,[M-H]-,30.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534142,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,343.11871,[M-H]-,20.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534143,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,20.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534144,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,20.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534145,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,60.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534146,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,15.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534147,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,20.0,test,CC1CC2(O)OC(=O)C3=C2C(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534148,C[C@@H]1CC2OC(=O)C3=C2C(CCC3O)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,20.0,test,C[C@@H]1CC2OC(=O)C3=C2C(CCC3O)[C@@]12C[C@@H](c1ccoc1)OC2=O
534149,C[C@@H]1CC2OC(=O)C3=C2C(CCC3O)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,15.0,test,C[C@@H]1CC2OC(=O)C3=C2C(CCC3O)[C@@]12C[C@@H](c1ccoc1)OC2=O
534150,C[C@@H]1CC2OC(=O)C3=C2C(CCC3O)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,20.0,test,C[C@@H]1CC2OC(=O)C3=C2C(CCC3O)[C@@]12C[C@@H](c1ccoc1)OC2=O
534151,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,343.11871,[M-H]-,20.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534152,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,343.11871,[M-H]-,20.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534153,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,343.11871,[M-H]-,60.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534154,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,343.11871,[M-H]-,30.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534155,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,343.11871,[M-H]-,20.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534156,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,343.11871,[M-H]-,20.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534157,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,343.11871,[M-H]-,20.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534158,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,343.11871,[M-H]-,60.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534159,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,343.11871,[M-H]-,15.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534160,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,343.11871,[M-H]-,20.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534161,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534162,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534163,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,60.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534164,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,15.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534165,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,389.12419,[M+FA]-,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534166,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,327.1227,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534167,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,327.1227,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534168,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,327.1227,[M+H-H2O]+,60.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534169,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,327.1227,[M+H-H2O]+,30.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534170,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,327.1227,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534171,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,345.13326,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534172,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,345.13326,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534173,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,345.13326,[M+H]+,60.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534174,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,345.13326,[M+H]+,15.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534175,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,345.13326,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534176,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,362.15981,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534177,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,362.15981,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534178,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,362.15981,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534179,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,362.15981,[M+NH4]+,30.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534180,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1O,362.15981,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
534181,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,327.1227,[M+H-H2O]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534182,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,327.1227,[M+H-H2O]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534183,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,327.1227,[M+H-H2O]+,45.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534184,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,345.13326,[M+H]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534185,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,345.13326,[M+H]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534186,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,345.13326,[M+H]+,60.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534187,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,345.13326,[M+H]+,30.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534188,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,345.13326,[M+H]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534189,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,345.13326,[M+H]+,60.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534190,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,345.13326,[M+H]+,30.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534191,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,345.13326,[M+H]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534192,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,362.15981,[M+NH4]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534193,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,362.15981,[M+NH4]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534194,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,362.15981,[M+NH4]+,60.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534195,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,362.15981,[M+NH4]+,15.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534196,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1cocc1)OC2=O,362.15981,[M+NH4]+,20.0,test,C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
534197,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,345.13326,[M+H]+,30.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534198,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,345.13326,[M+H]+,30.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534199,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,345.13326,[M+H]+,20.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534200,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,345.13326,[M+H]+,60.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534201,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(cccc4O)C(=O)C23O)C1,345.13326,[M+H]+,30.0,test,CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23O)C1
534202,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,345.13326,[M+H]+,15.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534203,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,345.13326,[M+H]+,15.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534204,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,345.13326,[M+H]+,20.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534205,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,345.13326,[M+H]+,60.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534206,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2c(c(O)ccc2)[C@@H]1O,345.13326,[M+H]+,15.0,test,C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)C2C(=O)c2cccc(O)c2[C@@H]1O
534207,C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O,389.12419,[M+FA]-,20.0,test,C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
534208,C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O,389.12419,[M+FA]-,60.0,test,C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
534209,C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O,389.12419,[M+FA]-,15.0,test,C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
534210,C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O,389.12419,[M+FA]-,20.0,test,C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
534211,C=C(C)C(=O)O[C@H]1CC2=C[C@H](C/C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O,389.12419,[M+FA]-,60.0,test,C=C(C)C(=O)O[C@H]1CC2=C[C@H](C/C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
534212,C=C(C)C(=O)O[C@H]1CC2=C[C@H](C/C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O,389.12419,[M+FA]-,15.0,test,C=C(C)C(=O)O[C@H]1CC2=C[C@H](C/C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
534213,C=C(C)C(=O)O[C@H]1CC2=C[C@H](C/C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O,389.12419,[M+FA]-,20.0,test,C=C(C)C(=O)O[C@H]1CC2=C[C@H](C/C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
534214,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,359.11363,[M-H]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534215,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,359.11363,[M-H]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534216,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,359.11363,[M-H]-,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534217,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,359.11363,[M-H]-,15.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534218,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,359.11363,[M-H]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534219,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,359.11363,[M-H]-,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534220,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,359.11363,[M-H]-,15.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534221,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,359.11363,[M-H]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534222,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,395.0903,[M+Cl]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534223,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,395.0903,[M+Cl]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534224,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,395.0903,[M+Cl]-,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534225,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,395.0903,[M+Cl]-,15.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534226,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,395.0903,[M+Cl]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534227,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,405.11911,[M+FA]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534228,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,405.11911,[M+FA]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534229,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,405.11911,[M+FA]-,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534230,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,405.11911,[M+FA]-,15.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534231,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,405.11911,[M+FA]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534232,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,359.11363,[M-H]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534233,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,359.11363,[M-H]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534234,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,359.11363,[M-H]-,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534235,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,359.11363,[M-H]-,30.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534236,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,359.11363,[M-H]-,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534237,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,405.11911,[M+FA]-,30.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534238,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,405.11911,[M+FA]-,30.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534239,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,405.11911,[M+FA]-,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534240,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(cccc1O)C(=O)C23O,405.11911,[M+FA]-,30.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O
534241,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,359.11363,[M-H]-,30.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534242,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,359.11363,[M-H]-,30.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534243,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,359.11363,[M-H]-,20.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534244,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,359.11363,[M-H]-,60.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534245,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,359.11363,[M-H]-,30.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534246,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,343.11762,[M+H-H2O]+,15.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534247,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,343.11762,[M+H-H2O]+,15.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534248,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,343.11762,[M+H-H2O]+,20.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534249,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,343.11762,[M+H-H2O]+,60.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534250,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,343.11762,[M+H-H2O]+,15.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534251,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,361.12818,[M+H]+,20.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534252,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,361.12818,[M+H]+,20.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534253,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,361.12818,[M+H]+,60.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534254,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,361.12818,[M+H]+,15.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534255,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O,361.12818,[M+H]+,20.0,test,COC(=O)C1C(CC(C)=O)C=CC(O)C12Oc1cc(C)cc(O)c1C2=O
534256,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,325.10706,[M+H-2H2O]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534257,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,325.10706,[M+H-2H2O]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534258,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,325.10706,[M+H-2H2O]+,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534259,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,325.10706,[M+H-2H2O]+,30.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534260,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,325.10706,[M+H-2H2O]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534261,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,343.11762,[M+H-H2O]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534262,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,343.11762,[M+H-H2O]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534263,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,343.11762,[M+H-H2O]+,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534264,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,343.11762,[M+H-H2O]+,15.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534265,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,343.11762,[M+H-H2O]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534266,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,361.12818,[M+H]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534267,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,361.12818,[M+H]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534268,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,361.12818,[M+H]+,60.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534269,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,361.12818,[M+H]+,30.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534270,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1c(c(O)ccc1)C3O,361.12818,[M+H]+,20.0,test,CC1CC(=O)C2C(O)(C1)CC(O)C13OC21C(=O)c1cccc(O)c1C3O
534271,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,361.12818,[M+H]+,20.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534272,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,361.12818,[M+H]+,20.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534273,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,361.12818,[M+H]+,60.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534274,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,361.12818,[M+H]+,15.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534275,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,361.12818,[M+H]+,20.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534276,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,361.12818,[M+H]+,60.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534277,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,361.12818,[M+H]+,15.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534278,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2c(c(O)ccc2)[C@@H]1O,361.12818,[M+H]+,20.0,test,C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O
534279,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,440.08526,[M-H]-,20.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534280,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,440.08526,[M-H]-,20.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534281,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,440.08526,[M-H]-,60.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534282,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,440.08526,[M-H]-,15.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534283,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,440.08526,[M-H]-,20.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534284,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,441.09253,[M]+,15.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534285,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,441.09253,[M]+,20.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534286,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,441.09253,[M]+,60.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534287,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,441.09253,[M]+,15.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534288,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,442.09981,[M+H]+,20.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534289,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,442.09981,[M+H]+,20.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534290,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,442.09981,[M+H]+,60.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534291,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,442.09981,[M+H]+,30.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534292,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,442.09981,[M+H]+,20.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534293,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,442.09981,[M+H]+,60.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534294,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,442.09981,[M+H]+,30.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534295,Cc1c(NC(=O)Nc2c(O)c(S(=O)(=O)[C@H]3CCCNC3)c(Cl)cc2)cccc1F,442.09981,[M+H]+,20.0,test,Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
534296,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,440.08526,[M-H]-,20.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534297,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,486.09074,[M+FA]-,15.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534298,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,486.09074,[M+FA]-,15.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534299,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,486.09074,[M+FA]-,60.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534300,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,442.09981,[M+H]+,20.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534301,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,442.09981,[M+H]+,20.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534302,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,442.09981,[M+H]+,60.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534303,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,442.09981,[M+H]+,15.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534304,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O,442.09981,[M+H]+,20.0,test,CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O
534305,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1,345.13643,[M+H]+,20.0,test,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1
534306,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1,345.13643,[M+H]+,20.0,test,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1
534307,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1,345.13643,[M+H]+,60.0,test,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1
534308,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1,345.13643,[M+H]+,30.0,test,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1
534309,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1,345.13643,[M+H]+,20.0,test,O=C(CCc1cccc(Cl)c1)N1CCCC(Oc2ccncc2)C1
534310,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1,345.13643,[M+H]+,20.0,test,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1
534311,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1,345.13643,[M+H]+,20.0,test,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1
534312,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1,345.13643,[M+H]+,60.0,test,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1
534313,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1,345.13643,[M+H]+,15.0,test,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1
534314,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1,345.13643,[M+H]+,20.0,test,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1
534315,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1,345.13643,[M+H]+,15.0,test,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1
534316,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1,345.13643,[M+H]+,20.0,test,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1
534317,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1,345.13643,[M+H]+,60.0,test,O=C(CCc1ccccc1)N1CCC(Oc2ccncc2Cl)CC1
534318,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1,345.13643,[M+H]+,20.0,test,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1
534319,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1,345.13643,[M+H]+,20.0,test,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1
534320,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1,345.13643,[M+H]+,60.0,test,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1
534321,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1,345.13643,[M+H]+,15.0,test,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1
534322,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1,345.13643,[M+H]+,20.0,test,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1
534323,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1,345.13643,[M+H]+,60.0,test,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1
534324,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1,345.13643,[M+H]+,15.0,test,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1
534325,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1,345.13643,[M+H]+,20.0,test,Cc1cc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccn1
534326,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1,345.13643,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1
534327,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1,345.13643,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1
534328,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1,345.13643,[M+H]+,60.0,test,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1
534329,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1,345.13643,[M+H]+,15.0,test,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1
534330,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1,345.13643,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1
534331,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1,345.13643,[M+H]+,60.0,test,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1
534332,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1,345.13643,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1
534333,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1,345.13643,[M+H]+,15.0,test,Cc1cccnc1OCC1CCN(C(=O)c2ccccc2Cl)CC1
534334,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C,345.13643,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C
534335,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C,345.13643,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C
534336,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C,345.13643,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C
534337,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C,345.13643,[M+H]+,15.0,test,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C
534338,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C,345.13643,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C
534339,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,359.11679,[M-H]-,20.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534340,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,359.11679,[M-H]-,20.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534341,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,359.11679,[M-H]-,20.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534342,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,343.12079,[M+H-H2O]+,20.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534343,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,343.12079,[M+H-H2O]+,20.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534344,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,343.12079,[M+H-H2O]+,60.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534345,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,343.12079,[M+H-H2O]+,15.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534346,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,343.12079,[M+H-H2O]+,20.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534347,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1,361.13135,[M+H]+,20.0,test,Cc1cc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)[nH]1
534348,O=C(CNc1cc(Cl)ccc1)NC1CCCN(c2c3cc[nH]c3ncn2)C1,385.15381,[M+H]+,20.0,test,O=C(CNc1cccc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1
534349,O=C(CNc1cc(Cl)ccc1)NC1CCCN(c2c3cc[nH]c3ncn2)C1,385.15381,[M+H]+,20.0,test,O=C(CNc1cccc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1
534350,O=C(CNc1cc(Cl)ccc1)NC1CCCN(c2c3cc[nH]c3ncn2)C1,385.15381,[M+H]+,60.0,test,O=C(CNc1cccc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1
534351,O=C(CNc1cc(Cl)ccc1)NC1CCCN(c2c3cc[nH]c3ncn2)C1,385.15381,[M+H]+,20.0,test,O=C(CNc1cccc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1
534352,O=C(CNc1cc(Cl)ccc1)NC1CCCN(c2c3cc[nH]c3ncn2)C1,385.15381,[M+H]+,45.0,test,O=C(CNc1cccc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1
534353,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,405.16562,[M-H]-,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534354,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,405.16562,[M-H]-,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534355,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,405.16562,[M-H]-,60.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534356,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,405.16562,[M-H]-,30.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534357,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,405.16562,[M-H]-,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534358,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,405.16562,[M-H]-,60.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534359,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,405.16562,[M-H]-,30.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534360,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,405.16562,[M-H]-,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534361,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,441.14229,[M+Cl]-,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534362,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,441.14229,[M+Cl]-,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534363,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,441.14229,[M+Cl]-,60.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534364,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,441.14229,[M+Cl]-,15.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534365,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,441.14229,[M+Cl]-,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534366,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,407.18017,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534367,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,407.18017,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534368,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,407.18017,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534369,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,407.18017,[M+H]+,30.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534370,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,407.18017,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534371,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,407.18017,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534372,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,407.18017,[M+H]+,30.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534373,Cc1nn(-c2ncc(NC(=O)c3c(C(F)(F)F)n(C(C)(C)C)nc3)cc2)c(C)c1,407.18017,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)cn2)n1
534374,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,405.16562,[M-H]-,20.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534375,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,405.16562,[M-H]-,20.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534376,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,405.16562,[M-H]-,60.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534377,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,405.16562,[M-H]-,30.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534378,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,405.16562,[M-H]-,20.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534379,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,405.16562,[M-H]-,45.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534380,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,405.16562,[M-H]-,20.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534381,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,405.16562,[M-H]-,60.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534382,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,407.18017,[M+H]+,45.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534383,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,407.18017,[M+H]+,45.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534384,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,407.18017,[M+H]+,45.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534385,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,407.18017,[M+H]+,20.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534386,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,407.18017,[M+H]+,60.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534387,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,407.18017,[M+H]+,45.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534388,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,407.18017,[M+H]+,60.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534389,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21,407.18017,[M+H]+,20.0,test,CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
534390,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534391,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,60.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534392,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,15.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534393,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534394,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534395,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534396,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,60.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534397,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534398,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,60.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534399,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,395.11794,[M+Cl]-,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534400,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,395.11794,[M+Cl]-,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534401,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534402,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534403,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,60.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534404,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,15.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534405,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534406,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,60.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534407,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,15.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534408,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,405.14674,[M+FA]-,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534409,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534410,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534411,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,60.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534412,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534413,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,60.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534414,CC1CCc2c3c(cc(F)c2N2CCC(O)CC2)c(=O)c(C(=O)O)cn31,361.15581,[M+H]+,20.0,test,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
534415,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2CCCCn12,357.17213,[M+H]+,20.0,test,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
534416,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2CCCCn12,357.17213,[M+H]+,20.0,test,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
534417,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2CCCCn12,357.17213,[M+H]+,60.0,test,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
534418,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2CCCCn12,357.17213,[M+H]+,20.0,test,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
534419,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2CCCCn12,357.17213,[M+H]+,45.0,test,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
534420,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2CCCCn12,357.17213,[M+H]+,60.0,test,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
534421,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2CCCCn12,357.17213,[M+H]+,20.0,test,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
534422,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2CCCCn12,357.17213,[M+H]+,45.0,test,O=C(NC1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
534423,Cn1nccc1C1CCCN(C(=O)c2c(F)cc3NC(=O)CCc3c2)C1,357.17213,[M+H]+,20.0,test,Cn1nccc1C1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
534424,Cn1nccc1C1CCCN(C(=O)c2c(F)cc3NC(=O)CCc3c2)C1,357.17213,[M+H]+,20.0,test,Cn1nccc1C1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
534425,Cn1nccc1C1CCCN(C(=O)c2c(F)cc3NC(=O)CCc3c2)C1,357.17213,[M+H]+,60.0,test,Cn1nccc1C1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
534426,Cn1nccc1C1CCCN(C(=O)c2c(F)cc3NC(=O)CCc3c2)C1,357.17213,[M+H]+,30.0,test,Cn1nccc1C1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
534427,Cn1nccc1C1CCCN(C(=O)c2c(F)cc3NC(=O)CCc3c2)C1,357.17213,[M+H]+,20.0,test,Cn1nccc1C1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
534428,Cn1nccc1C1CCCN(C(=O)c2c(F)cc3NC(=O)CCc3c2)C1,357.17213,[M+H]+,60.0,test,Cn1nccc1C1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
534429,Cn1nccc1C1CCCN(C(=O)c2c(F)cc3NC(=O)CCc3c2)C1,357.17213,[M+H]+,30.0,test,Cn1nccc1C1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
534430,Cn1nccc1C1CCCN(C(=O)c2c(F)cc3NC(=O)CCc3c2)C1,357.17213,[M+H]+,20.0,test,Cn1nccc1C1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
534431,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1,357.17213,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1
534432,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1,357.17213,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1
534433,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1,357.17213,[M+H]+,60.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1
534434,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1,357.17213,[M+H]+,30.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1
534435,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1,357.17213,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1
534436,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1,357.17213,[M+H]+,60.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1
534437,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1,357.17213,[M+H]+,30.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1
534438,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1,357.17213,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccncc2F)C3)nc1
534439,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,387.12965,[M-H]-,20.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534440,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,387.12965,[M-H]-,20.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534441,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,387.12965,[M-H]-,60.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534442,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,387.12965,[M-H]-,20.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534443,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,387.12965,[M-H]-,60.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534444,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,389.1442,[M+H]+,20.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534445,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,389.1442,[M+H]+,20.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534446,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,389.1442,[M+H]+,60.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534447,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,389.1442,[M+H]+,30.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534448,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,389.1442,[M+H]+,20.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534449,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,389.1442,[M+H]+,60.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534450,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,389.1442,[M+H]+,30.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534451,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1,389.1442,[M+H]+,20.0,test,O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1
534452,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N,437.07205,[M+H]+,20.0,test,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N
534453,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N,437.07205,[M+H]+,20.0,test,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N
534454,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N,437.07205,[M+H]+,30.0,test,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N
534455,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N,437.07205,[M+H]+,60.0,test,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N
534456,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N,437.07205,[M+H]+,15.0,test,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N
534457,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N,437.07205,[M+H]+,20.0,test,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N
534458,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N,437.07205,[M+H]+,60.0,test,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N
534459,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N,437.07205,[M+H]+,20.0,test,CCOc1cc(CNCCc2ccccc2)cc(I)c1OCC#N
534460,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,319.17915,[M]+,20.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534461,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,319.17915,[M]+,20.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534462,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,319.17915,[M]+,60.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534463,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,319.17915,[M]+,30.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534464,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,319.17915,[M]+,20.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534465,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,320.18697,[M+H]+,20.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534466,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,320.18697,[M+H]+,20.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534467,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,320.18697,[M+H]+,45.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534468,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,320.18697,[M+H]+,60.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534469,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,320.18697,[M+H]+,20.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534470,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,320.18697,[M+H]+,20.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534471,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,320.18697,[M+H]+,45.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534472,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1,320.18697,[M+H]+,60.0,test,Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1
534473,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21,320.18697,[M+H]+,20.0,test,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21
534474,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21,320.18697,[M+H]+,20.0,test,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21
534475,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21,320.18697,[M+H]+,45.0,test,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21
534476,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21,320.18697,[M+H]+,60.0,test,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21
534477,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21,320.18697,[M+H]+,20.0,test,Cn1c(N2CCC3CN(c4ccccn4)CC32)nc2ccccc21
534478,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1,320.18697,[M+H]+,20.0,test,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1
534479,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1,320.18697,[M+H]+,20.0,test,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1
534480,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1,320.18697,[M+H]+,60.0,test,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1
534481,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1,320.18697,[M+H]+,15.0,test,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1
534482,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1,320.18697,[M+H]+,20.0,test,Cc1ccc(-c2nc3nc4c(c(N5CCCC5)n3n2)CCC4)cc1
534483,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,320.18697,[M+H]+,20.0,test,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
534484,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,320.18697,[M+H]+,20.0,test,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
534485,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,320.18697,[M+H]+,60.0,test,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
534486,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,320.18697,[M+H]+,15.0,test,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
534487,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,320.18697,[M+H]+,20.0,test,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
534488,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,320.18697,[M+H]+,20.0,test,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
534489,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,320.18697,[M+H]+,20.0,test,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
534490,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,320.18697,[M+H]+,60.0,test,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
534491,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,320.18697,[M+H]+,30.0,test,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
534492,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,320.18697,[M+H]+,20.0,test,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
534493,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,320.18697,[M+H]+,60.0,test,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
534494,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,320.18697,[M+H]+,20.0,test,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
534495,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,320.18697,[M+H]+,30.0,test,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
534496,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12,396.1601,[M+H]+,20.0,test,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12
534497,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12,396.1601,[M+H]+,20.0,test,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12
534498,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12,396.1601,[M+H]+,45.0,test,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12
534499,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12,396.1601,[M+H]+,60.0,test,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12
534500,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12,396.1601,[M+H]+,20.0,test,COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12
534501,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,310.14487,[M-H]-,20.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534502,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,310.14487,[M-H]-,20.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534503,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,310.14487,[M-H]-,60.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534504,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,310.14487,[M-H]-,30.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534505,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,310.14487,[M-H]-,20.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534506,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,312.15942,[M+H]+,20.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534507,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,312.15942,[M+H]+,20.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534508,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,312.15942,[M+H]+,60.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534509,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,312.15942,[M+H]+,15.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534510,O=C(c1c(O)cc(O)cc1)N1CCCCC1Cc1ccccc1,312.15942,[M+H]+,20.0,test,O=C(c1ccc(O)cc1O)N1CCCCC1Cc1ccccc1
534511,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,310.14487,[M-H]-,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534512,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,310.14487,[M-H]-,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534513,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,310.14487,[M-H]-,45.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534514,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,310.14487,[M-H]-,60.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534515,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,310.14487,[M-H]-,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534516,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,310.14487,[M-H]-,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534517,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,310.14487,[M-H]-,45.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534518,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,310.14487,[M-H]-,60.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534519,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,356.15035,[M+FA]-,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534520,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,356.15035,[M+FA]-,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534521,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,356.15035,[M+FA]-,60.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534522,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,356.15035,[M+FA]-,15.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534523,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,356.15035,[M+FA]-,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534524,COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1,310.14487,[M-H]-,20.0,test,COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
534525,COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1,310.14487,[M-H]-,20.0,test,COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
534526,COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1,310.14487,[M-H]-,30.0,test,COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
534527,COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1,310.14487,[M-H]-,20.0,test,COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
534528,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1,312.15942,[M+H]+,20.0,test,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1
534529,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1,312.15942,[M+H]+,20.0,test,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1
534530,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1,312.15942,[M+H]+,15.0,test,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1
534531,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1,312.15942,[M+H]+,60.0,test,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1
534532,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1,312.15942,[M+H]+,30.0,test,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1
534533,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1,312.15942,[M+H]+,20.0,test,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1
534534,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1,312.15942,[M+H]+,20.0,test,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1
534535,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1,312.15942,[M+H]+,60.0,test,Cc1ccc(OC(=O)CCC(=O)NC(C)c2ccccc2)cc1
534536,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1
534537,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1
534538,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1,312.15942,[M+H]+,30.0,test,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1
534539,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1,312.15942,[M+H]+,60.0,test,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1
534540,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1,312.15942,[M+H]+,15.0,test,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1
534541,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1
534542,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1,312.15942,[M+H]+,60.0,test,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1
534543,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(CC(=O)NCC2Cc3ccccc3CO2)cc1
534544,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,294.14886,[M+H-H2O]+,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534545,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,294.14886,[M+H-H2O]+,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534546,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,294.14886,[M+H-H2O]+,60.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534547,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,294.14886,[M+H-H2O]+,30.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534548,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,294.14886,[M+H-H2O]+,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534549,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,312.15942,[M+H]+,15.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534550,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,312.15942,[M+H]+,15.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534551,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,312.15942,[M+H]+,20.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534552,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,312.15942,[M+H]+,60.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534553,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1,312.15942,[M+H]+,15.0,test,O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
534554,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1,312.15942,[M+H]+,20.0,test,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1
534555,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1,312.15942,[M+H]+,20.0,test,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1
534556,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1,312.15942,[M+H]+,60.0,test,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1
534557,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1,312.15942,[M+H]+,20.0,test,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1
534558,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1,312.15942,[M+H]+,20.0,test,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1
534559,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1,312.15942,[M+H]+,60.0,test,COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1
534560,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC,312.15942,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC
534561,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC,312.15942,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC
534562,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC,312.15942,[M+H]+,60.0,test,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC
534563,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC,312.15942,[M+H]+,30.0,test,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC
534564,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC,312.15942,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC
534565,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC,312.15942,[M+H]+,60.0,test,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC
534566,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC,312.15942,[M+H]+,30.0,test,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC
534567,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC,312.15942,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCCCc3ccccc32)cc1OC
534568,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1
534569,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1
534570,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1,312.15942,[M+H]+,60.0,test,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1
534571,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1,312.15942,[M+H]+,30.0,test,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1
534572,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1
534573,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1,312.15942,[M+H]+,60.0,test,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1
534574,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1,312.15942,[M+H]+,30.0,test,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1
534575,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)c3ccccc3OC)C2)cc1
534576,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O,312.15942,[M+H]+,20.0,test,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O
534577,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O,312.15942,[M+H]+,20.0,test,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O
534578,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O,312.15942,[M+H]+,45.0,test,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O
534579,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O,312.15942,[M+H]+,60.0,test,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O
534580,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O,312.15942,[M+H]+,20.0,test,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O
534581,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O,312.15942,[M+H]+,20.0,test,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O
534582,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O,312.15942,[M+H]+,45.0,test,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O
534583,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O,312.15942,[M+H]+,60.0,test,COc1cc(CC(=O)N2CCC(c3ccccc3)C2)ccc1O
534584,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,312.15942,[M+H]+,20.0,test,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
534585,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,312.15942,[M+H]+,20.0,test,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
534586,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,312.15942,[M+H]+,60.0,test,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
534587,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,312.15942,[M+H]+,30.0,test,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
534588,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,312.15942,[M+H]+,20.0,test,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
534589,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,312.15942,[M+H]+,60.0,test,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
534590,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,312.15942,[M+H]+,30.0,test,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
534591,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,312.15942,[M+H]+,20.0,test,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
534592,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1
534593,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1
534594,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1,312.15942,[M+H]+,60.0,test,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1
534595,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1,312.15942,[M+H]+,30.0,test,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1
534596,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1
534597,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1,312.15942,[M+H]+,20.0,test,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1
534598,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1,312.15942,[M+H]+,30.0,test,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1
534599,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1,312.15942,[M+H]+,60.0,test,COc1ccc(OCC(=O)N2CCC(c3ccccc3)C2)cc1
534600,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1,312.15942,[M+H]+,20.0,test,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
534601,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1,312.15942,[M+H]+,20.0,test,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
534602,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1,312.15942,[M+H]+,30.0,test,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
534603,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1,312.15942,[M+H]+,60.0,test,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
534604,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1,312.15942,[M+H]+,15.0,test,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
534605,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1,312.15942,[M+H]+,20.0,test,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
534606,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1,312.15942,[M+H]+,20.0,test,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
534607,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1,312.15942,[M+H]+,60.0,test,CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
534608,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1,312.15942,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
534609,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1,312.15942,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
534610,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1,312.15942,[M+H]+,60.0,test,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
534611,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1,312.15942,[M+H]+,15.0,test,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
534612,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1,312.15942,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
534613,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1,312.15942,[M+H]+,45.0,test,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
534614,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1,312.15942,[M+H]+,60.0,test,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
534615,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1,312.15942,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
534616,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1,312.15942,[M+H]+,20.0,test,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1
534617,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1,312.15942,[M+H]+,20.0,test,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1
534618,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1,312.15942,[M+H]+,60.0,test,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1
534619,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1,312.15942,[M+H]+,30.0,test,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1
534620,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1,312.15942,[M+H]+,20.0,test,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1
534621,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1,312.15942,[M+H]+,60.0,test,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1
534622,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1,312.15942,[M+H]+,30.0,test,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1
534623,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1,312.15942,[M+H]+,20.0,test,O=C(NCC1CCCO1)c1cccc(OCc2ccccc2)c1
534624,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC,312.15942,[M+H]+,20.0,test,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
534625,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC,312.15942,[M+H]+,20.0,test,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
534626,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC,312.15942,[M+H]+,60.0,test,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
534627,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC,312.15942,[M+H]+,30.0,test,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
534628,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC,312.15942,[M+H]+,20.0,test,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
534629,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,390.11944,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534630,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,390.11944,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534631,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,390.11944,[M-H]-,60.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534632,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,390.11944,[M-H]-,30.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534633,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,390.11944,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534634,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,390.11944,[M-H]-,60.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534635,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,390.11944,[M-H]-,30.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534636,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,390.11944,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534637,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,392.13399,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534638,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,392.13399,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534639,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,392.13399,[M+H]+,60.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534640,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,392.13399,[M+H]+,30.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534641,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c2C,392.13399,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12
534642,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl,344.15242,[M+H]+,20.0,test,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl
534643,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl,344.15242,[M+H]+,20.0,test,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl
534644,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl,344.15242,[M+H]+,60.0,test,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl
534645,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl,344.15242,[M+H]+,30.0,test,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl
534646,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl,344.15242,[M+H]+,20.0,test,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl
534647,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl,344.15242,[M+H]+,60.0,test,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl
534648,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl,344.15242,[M+H]+,30.0,test,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl
534649,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl,344.15242,[M+H]+,20.0,test,Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl
534650,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,344.15242,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
534651,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,344.15242,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
534652,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,344.15242,[M+H]+,60.0,test,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
534653,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,344.15242,[M+H]+,15.0,test,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
534654,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,344.15242,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
534655,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl,344.15242,[M+H]+,20.0,test,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl
534656,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl,344.15242,[M+H]+,20.0,test,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl
534657,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl,344.15242,[M+H]+,45.0,test,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl
534658,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl,344.15242,[M+H]+,60.0,test,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl
534659,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl,344.15242,[M+H]+,20.0,test,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl
534660,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl,344.15242,[M+H]+,60.0,test,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl
534661,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl,344.15242,[M+H]+,45.0,test,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl
534662,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl,344.15242,[M+H]+,20.0,test,COc1cccc(CN2CCC3CN(c4ccccn4)CC32)c1Cl
534663,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,406.09976,[M-H]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534664,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,406.09976,[M-H]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534665,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,406.09976,[M-H]-,60.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534666,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,406.09976,[M-H]-,30.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534667,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,406.09976,[M-H]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534668,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,442.07644,[M+Cl]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534669,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,442.07644,[M+Cl]-,15.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534670,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,442.07644,[M+Cl]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534671,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,452.10524,[M+FA]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534672,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,452.10524,[M+FA]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534673,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,452.10524,[M+FA]-,60.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534674,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,452.10524,[M+FA]-,15.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534675,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,452.10524,[M+FA]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534676,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,452.10524,[M+FA]-,60.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534677,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,452.10524,[M+FA]-,15.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534678,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,452.10524,[M+FA]-,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534679,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,408.11432,[M+H]+,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534680,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,408.11432,[M+H]+,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534681,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,408.11432,[M+H]+,60.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534682,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,408.11432,[M+H]+,30.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534683,O=C(NCCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)c(Cl)cc1,408.11432,[M+H]+,20.0,test,O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
534684,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,390.12261,[M-H]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534685,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,390.12261,[M-H]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534686,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,390.12261,[M-H]-,60.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534687,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,390.12261,[M-H]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534688,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,390.12261,[M-H]-,45.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534689,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,390.12261,[M-H]-,60.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534690,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,390.12261,[M-H]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534691,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,390.12261,[M-H]-,45.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534692,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,426.09929,[M+Cl]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534693,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,426.09929,[M+Cl]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534694,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,426.09929,[M+Cl]-,60.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534695,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,426.09929,[M+Cl]-,15.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534696,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,426.09929,[M+Cl]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534697,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,436.12809,[M+FA]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534698,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,436.12809,[M+FA]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534699,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,436.12809,[M+FA]-,60.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534700,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,436.12809,[M+FA]-,15.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534701,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,436.12809,[M+FA]-,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534702,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,392.13716,[M+H]+,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534703,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,392.13716,[M+H]+,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534704,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,392.13716,[M+H]+,60.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534705,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,392.13716,[M+H]+,30.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534706,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,392.13716,[M+H]+,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534707,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,392.13716,[M+H]+,60.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534708,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,392.13716,[M+H]+,30.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534709,COCC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3Cl)ncc2)CC1,392.13716,[M+H]+,20.0,test,COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1
534710,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,341.13292,[M-H]-,20.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534711,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,341.13292,[M-H]-,60.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534712,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,341.13292,[M-H]-,20.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534713,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,341.13292,[M-H]-,45.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534714,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,343.14747,[M+H]+,20.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534715,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,343.14747,[M+H]+,20.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534716,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,343.14747,[M+H]+,60.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534717,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,343.14747,[M+H]+,30.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534718,CSc1cccc(NC(=O)CN2CCc3c(cc(O)cc3)CC2)c1,343.14747,[M+H]+,20.0,test,CSc1cccc(NC(=O)CN2CCc3ccc(O)cc3CC2)c1
534719,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,341.13292,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534720,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,341.13292,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534721,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,341.13292,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534722,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,341.13292,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534723,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,341.13292,[M-H]-,45.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534724,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,343.14747,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534725,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,343.14747,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534726,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,343.14747,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534727,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,343.14747,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534728,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,343.14747,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534729,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,343.14747,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534730,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,343.14747,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534731,Cc1cc(C)c(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1,343.14747,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534732,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,341.13292,[M-H]-,20.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534733,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,341.13292,[M-H]-,20.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534734,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,341.13292,[M-H]-,45.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534735,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,341.13292,[M-H]-,60.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534736,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,341.13292,[M-H]-,20.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534737,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,341.13292,[M-H]-,20.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534738,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,341.13292,[M-H]-,45.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534739,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,341.13292,[M-H]-,60.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534740,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,341.13292,[M-H]-,20.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534741,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,341.13292,[M-H]-,20.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534742,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,341.13292,[M-H]-,45.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534743,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,341.13292,[M-H]-,60.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534744,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,341.13292,[M-H]-,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534745,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,341.13292,[M-H]-,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534746,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,341.13292,[M-H]-,60.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534747,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,341.13292,[M-H]-,30.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534748,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,341.13292,[M-H]-,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534749,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,341.13292,[M-H]-,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534750,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,341.13292,[M-H]-,30.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534751,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,341.13292,[M-H]-,60.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534752,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,377.1096,[M+Cl]-,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534753,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,377.1096,[M+Cl]-,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534754,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,377.1096,[M+Cl]-,60.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534755,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,377.1096,[M+Cl]-,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534756,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,341.13292,[M-H]-,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534757,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,341.13292,[M-H]-,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534758,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,341.13292,[M-H]-,60.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534759,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,341.13292,[M-H]-,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534760,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,341.13292,[M-H]-,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534761,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,341.13292,[M-H]-,60.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534762,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,377.1096,[M+Cl]-,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534763,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,377.1096,[M+Cl]-,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534764,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,377.1096,[M+Cl]-,60.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534765,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,377.1096,[M+Cl]-,15.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534766,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,341.13292,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534767,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,341.13292,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534768,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,341.13292,[M-H]-,45.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534769,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,341.13292,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534770,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,341.13292,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534771,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,341.13292,[M-H]-,45.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534772,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,341.13292,[M-H]-,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534773,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,341.13292,[M-H]-,60.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534774,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,341.13292,[M-H]-,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534775,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,341.13292,[M-H]-,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534776,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,341.13292,[M-H]-,60.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534777,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,341.13292,[M-H]-,15.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534778,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,341.13292,[M-H]-,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534779,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,341.13292,[M-H]-,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534780,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,341.13292,[M-H]-,15.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534781,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,341.13292,[M-H]-,60.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534782,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,377.1096,[M+Cl]-,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534783,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,377.1096,[M+Cl]-,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534784,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,377.1096,[M+Cl]-,60.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534785,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,377.1096,[M+Cl]-,15.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534786,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,377.1096,[M+Cl]-,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534787,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,343.14747,[M+H]+,20.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534788,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,343.14747,[M+H]+,20.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534789,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,343.14747,[M+H]+,60.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534790,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,343.14747,[M+H]+,15.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534791,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,343.14747,[M+H]+,20.0,test,CCC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
534792,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21,343.14747,[M+H]+,20.0,test,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21
534793,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21,343.14747,[M+H]+,20.0,test,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21
534794,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21,343.14747,[M+H]+,60.0,test,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21
534795,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21,343.14747,[M+H]+,15.0,test,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21
534796,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21,343.14747,[M+H]+,20.0,test,CCC(C(=O)NCc1cccs1)N1C(=O)CCCc2ccccc21
534797,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,343.14747,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534798,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,343.14747,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534799,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,343.14747,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534800,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,343.14747,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534801,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,343.14747,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534802,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,343.14747,[M+H]+,60.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534803,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,343.14747,[M+H]+,30.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534804,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1,343.14747,[M+H]+,20.0,test,Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1
534805,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1,343.14747,[M+H]+,20.0,test,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1
534806,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1,343.14747,[M+H]+,20.0,test,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1
534807,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1,343.14747,[M+H]+,60.0,test,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1
534808,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1,343.14747,[M+H]+,30.0,test,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1
534809,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1,343.14747,[M+H]+,20.0,test,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1
534810,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,343.14747,[M+H]+,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534811,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,343.14747,[M+H]+,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534812,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,343.14747,[M+H]+,60.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534813,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,343.14747,[M+H]+,15.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534814,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1,343.14747,[M+H]+,20.0,test,CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
534815,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,343.14747,[M+H]+,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534816,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,343.14747,[M+H]+,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534817,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,343.14747,[M+H]+,60.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534818,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,343.14747,[M+H]+,30.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534819,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,343.14747,[M+H]+,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534820,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,343.14747,[M+H]+,30.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534821,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,343.14747,[M+H]+,60.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534822,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21,343.14747,[M+H]+,20.0,test,CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21
534823,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C,343.14747,[M+H]+,20.0,test,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C
534824,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C,343.14747,[M+H]+,20.0,test,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C
534825,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C,343.14747,[M+H]+,60.0,test,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C
534826,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C,343.14747,[M+H]+,30.0,test,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C
534827,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C,343.14747,[M+H]+,20.0,test,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C
534828,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C,343.14747,[M+H]+,30.0,test,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C
534829,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C,343.14747,[M+H]+,60.0,test,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C
534830,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C,343.14747,[M+H]+,20.0,test,Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C
534831,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,343.14747,[M+H]+,20.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534832,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,343.14747,[M+H]+,20.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534833,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,343.14747,[M+H]+,60.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534834,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,343.14747,[M+H]+,30.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534835,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,343.14747,[M+H]+,20.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534836,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,343.14747,[M+H]+,60.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534837,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,343.14747,[M+H]+,30.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534838,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1,343.14747,[M+H]+,20.0,test,CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1
534839,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,343.14747,[M+H]+,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534840,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,343.14747,[M+H]+,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534841,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,343.14747,[M+H]+,45.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534842,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,343.14747,[M+H]+,60.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534843,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,343.14747,[M+H]+,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534844,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,343.14747,[M+H]+,60.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534845,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,343.14747,[M+H]+,45.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534846,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,343.14747,[M+H]+,20.0,test,CCC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
534847,CCCS(=O)(=O)c1nc2c(cc(NS(=O)(=O)Cc3c(C)ccc(C)c3)cc2)s1,437.06689,[M-H]-,20.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1
534848,CCCS(=O)(=O)c1nc2c(cc(NS(=O)(=O)Cc3c(C)ccc(C)c3)cc2)s1,437.06689,[M-H]-,20.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1
534849,CCCS(=O)(=O)c1nc2c(cc(NS(=O)(=O)Cc3c(C)ccc(C)c3)cc2)s1,437.06689,[M-H]-,60.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1
534850,CCCS(=O)(=O)c1nc2c(cc(NS(=O)(=O)Cc3c(C)ccc(C)c3)cc2)s1,437.06689,[M-H]-,20.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1
534851,CCCS(=O)(=O)c1nc2c(cc(NS(=O)(=O)Cc3c(C)ccc(C)c3)cc2)s1,437.06689,[M-H]-,45.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1
534852,CCCS(=O)(=O)c1nc2c(cc(NS(=O)(=O)Cc3c(C)ccc(C)c3)cc2)s1,437.06689,[M-H]-,60.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1
534853,CCCS(=O)(=O)c1nc2c(cc(NS(=O)(=O)Cc3c(C)ccc(C)c3)cc2)s1,437.06689,[M-H]-,20.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1
534854,CCCS(=O)(=O)c1nc2c(cc(NS(=O)(=O)Cc3c(C)ccc(C)c3)cc2)s1,437.06689,[M-H]-,45.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1
534855,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,437.06689,[M-H]-,20.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534856,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,437.06689,[M-H]-,20.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534857,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,437.06689,[M-H]-,60.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534858,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,437.06689,[M-H]-,20.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534859,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,437.06689,[M-H]-,60.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534860,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,439.08145,[M+H]+,45.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534861,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,439.08145,[M+H]+,45.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534862,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,439.08145,[M+H]+,45.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534863,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,439.08145,[M+H]+,60.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534864,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1,439.08145,[M+H]+,20.0,test,CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1
534865,CCN(CC)c1ncc2CCN(Cc3ccccc3)c2c1C#N,307.19172,[M+H]+,20.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534866,CCN(CC)c1ncc2CCN(Cc3ccccc3)c2c1C#N,307.19172,[M+H]+,20.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534867,CCN(CC)c1ncc2CCN(Cc3ccccc3)c2c1C#N,307.19172,[M+H]+,60.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534868,CCN(CC)c1ncc2CCN(Cc3ccccc3)c2c1C#N,307.19172,[M+H]+,20.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534869,CCN(CC)c1ncc2CCN(Cc3ccccc3)c2c1C#N,307.19172,[M+H]+,45.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534870,CCN(CC)c1ncc2CCN(Cc3ccccc3)c2c1C#N,307.19172,[M+H]+,60.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534871,CCN(CC)c1ncc2CCN(Cc3ccccc3)c2c1C#N,307.19172,[M+H]+,20.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534872,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,305.17717,[M-H]-,20.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534873,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,305.17717,[M-H]-,20.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534874,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,305.17717,[M-H]-,45.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534875,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,305.17717,[M-H]-,60.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534876,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,305.17717,[M-H]-,20.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534877,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,305.17717,[M-H]-,20.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534878,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,305.17717,[M-H]-,60.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534879,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1,307.19172,[M+H]+,20.0,test,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1
534880,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1,307.19172,[M+H]+,20.0,test,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1
534881,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1,307.19172,[M+H]+,45.0,test,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1
534882,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1,307.19172,[M+H]+,60.0,test,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1
534883,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1,307.19172,[M+H]+,20.0,test,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1
534884,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1,307.19172,[M+H]+,20.0,test,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1
534885,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1,307.19172,[M+H]+,60.0,test,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1
534886,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1,307.19172,[M+H]+,45.0,test,c1ccc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)cc1
534887,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2,307.19172,[M+H]+,20.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534888,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2,307.19172,[M+H]+,20.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534889,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2,307.19172,[M+H]+,45.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534890,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2,307.19172,[M+H]+,60.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534891,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2,307.19172,[M+H]+,20.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534892,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2,307.19172,[M+H]+,20.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534893,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2,307.19172,[M+H]+,60.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534894,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2,307.19172,[M+H]+,45.0,test,CCN(CC)c1ncc2c(c1C#N)N(Cc1ccccc1)CC2
534895,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,307.19172,[M+H]+,20.0,test,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
534896,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,307.19172,[M+H]+,20.0,test,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
534897,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,307.19172,[M+H]+,45.0,test,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
534898,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,307.19172,[M+H]+,60.0,test,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
534899,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,307.19172,[M+H]+,20.0,test,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
534900,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,307.19172,[M+H]+,20.0,test,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
534901,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,307.19172,[M+H]+,60.0,test,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
534902,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,307.19172,[M+H]+,45.0,test,Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
534903,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,307.19172,[M+H]+,20.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534904,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,307.19172,[M+H]+,20.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534905,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,307.19172,[M+H]+,45.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534906,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,307.19172,[M+H]+,60.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534907,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,307.19172,[M+H]+,20.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534908,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,307.19172,[M+H]+,45.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534909,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,307.19172,[M+H]+,60.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534910,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N,307.19172,[M+H]+,20.0,test,CCCc1cc(NC(C)CC)n2c(nc3ccccc32)c1C#N
534911,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21,307.19172,[M+H]+,20.0,test,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21
534912,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21,307.19172,[M+H]+,20.0,test,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21
534913,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21,307.19172,[M+H]+,60.0,test,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21
534914,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21,307.19172,[M+H]+,20.0,test,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21
534915,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21,307.19172,[M+H]+,60.0,test,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21
534916,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21,307.19172,[M+H]+,20.0,test,Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21
534917,c1ccc(CCN2CCN(c3ncnc(-n4ccnc4)c3)CC2)cc1,335.19787,[M+H]+,20.0,test,c1ccc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
534918,c1ccc(CCN2CCN(c3ncnc(-n4ccnc4)c3)CC2)cc1,335.19787,[M+H]+,20.0,test,c1ccc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
534919,c1ccc(CCN2CCN(c3ncnc(-n4ccnc4)c3)CC2)cc1,335.19787,[M+H]+,60.0,test,c1ccc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
534920,c1ccc(CCN2CCN(c3ncnc(-n4ccnc4)c3)CC2)cc1,335.19787,[M+H]+,20.0,test,c1ccc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
534921,c1ccc(CCN2CCN(c3ncnc(-n4ccnc4)c3)CC2)cc1,335.19787,[M+H]+,45.0,test,c1ccc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
534922,c1ccc(CCN2CCN(c3ncnc(-n4ccnc4)c3)CC2)cc1,335.19787,[M+H]+,60.0,test,c1ccc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
534923,c1ccc(CCN2CCN(c3ncnc(-n4ccnc4)c3)CC2)cc1,335.19787,[M+H]+,20.0,test,c1ccc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
534924,c1ccc(CCN2CCN(c3ncnc(-n4ccnc4)c3)CC2)cc1,335.19787,[M+H]+,45.0,test,c1ccc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
534925,Cc1nc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ncc1,335.19787,[M+H]+,20.0,test,Cc1ccnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1
534926,Cc1nc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ncc1,335.19787,[M+H]+,20.0,test,Cc1ccnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1
534927,Cc1nc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ncc1,335.19787,[M+H]+,60.0,test,Cc1ccnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1
534928,Cc1nc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ncc1,335.19787,[M+H]+,20.0,test,Cc1ccnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1
534929,Cc1nc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ncc1,335.19787,[M+H]+,45.0,test,Cc1ccnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1
534930,Cc1nc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ncc1,335.19787,[M+H]+,60.0,test,Cc1ccnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1
534931,Cc1nc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ncc1,335.19787,[M+H]+,20.0,test,Cc1ccnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1
534932,Cc1nc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ncc1,335.19787,[M+H]+,45.0,test,Cc1ccnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1
534933,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1,335.19787,[M+H]+,20.0,test,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1
534934,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1,335.19787,[M+H]+,20.0,test,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1
534935,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1,335.19787,[M+H]+,60.0,test,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1
534936,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1,335.19787,[M+H]+,20.0,test,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1
534937,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1,335.19787,[M+H]+,60.0,test,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1
534938,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1,335.19787,[M+H]+,20.0,test,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1
534939,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1,335.19787,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1
534940,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1,335.19787,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1
534941,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1,335.19787,[M+H]+,60.0,test,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1
534942,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1,335.19787,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1
534943,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1,335.19787,[M+H]+,60.0,test,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1
534944,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1,335.19787,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1
534945,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,365.17315,[M-H]-,20.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534946,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,365.17315,[M-H]-,20.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534947,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,365.17315,[M-H]-,60.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534948,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,365.17315,[M-H]-,20.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534949,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,365.17315,[M-H]-,60.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534950,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,365.17315,[M-H]-,20.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534951,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,365.17315,[M-H]-,60.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534952,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,365.17315,[M-H]-,20.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534953,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,365.17315,[M-H]-,20.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534954,Cc1c(C)oc(-c2cc(NC(=O)c3cn(C4CCNCC4)nn3)ccc2)n1,367.1877,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3cn(C4CCNCC4)nn3)c2)oc1C
534955,Cc1c(C)oc(-c2cc(NC(=O)c3cn(C4CCNCC4)nn3)ccc2)n1,367.1877,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3cn(C4CCNCC4)nn3)c2)oc1C
534956,Cc1c(C)oc(-c2cc(NC(=O)c3cn(C4CCNCC4)nn3)ccc2)n1,367.1877,[M+H]+,60.0,test,Cc1nc(-c2cccc(NC(=O)c3cn(C4CCNCC4)nn3)c2)oc1C
534957,Cc1c(C)oc(-c2cc(NC(=O)c3cn(C4CCNCC4)nn3)ccc2)n1,367.1877,[M+H]+,30.0,test,Cc1nc(-c2cccc(NC(=O)c3cn(C4CCNCC4)nn3)c2)oc1C
534958,Cc1c(C)oc(-c2cc(NC(=O)c3cn(C4CCNCC4)nn3)ccc2)n1,367.1877,[M+H]+,20.0,test,Cc1nc(-c2cccc(NC(=O)c3cn(C4CCNCC4)nn3)c2)oc1C
534959,C[C@H]1Cc2c([C@@H](C)O1)n(C)nc2C(=O)NCc1cccnc1-n1ccnc1,367.1877,[M+H]+,20.0,test,C[C@H]1Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c2[C@@H](C)O1
534960,C[C@H]1Cc2c([C@@H](C)O1)n(C)nc2C(=O)NCc1cccnc1-n1ccnc1,367.1877,[M+H]+,20.0,test,C[C@H]1Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c2[C@@H](C)O1
534961,C[C@H]1Cc2c([C@@H](C)O1)n(C)nc2C(=O)NCc1cccnc1-n1ccnc1,367.1877,[M+H]+,60.0,test,C[C@H]1Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c2[C@@H](C)O1
534962,C[C@H]1Cc2c([C@@H](C)O1)n(C)nc2C(=O)NCc1cccnc1-n1ccnc1,367.1877,[M+H]+,20.0,test,C[C@H]1Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c2[C@@H](C)O1
534963,C[C@H]1Cc2c([C@@H](C)O1)n(C)nc2C(=O)NCc1cccnc1-n1ccnc1,367.1877,[M+H]+,45.0,test,C[C@H]1Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c2[C@@H](C)O1
534964,C[C@H]1Cc2c([C@@H](C)O1)n(C)nc2C(=O)NCc1cccnc1-n1ccnc1,367.1877,[M+H]+,60.0,test,C[C@H]1Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c2[C@@H](C)O1
534965,C[C@H]1Cc2c([C@@H](C)O1)n(C)nc2C(=O)NCc1cccnc1-n1ccnc1,367.1877,[M+H]+,20.0,test,C[C@H]1Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c2[C@@H](C)O1
534966,C[C@H]1Cc2c([C@@H](C)O1)n(C)nc2C(=O)NCc1cccnc1-n1ccnc1,367.1877,[M+H]+,45.0,test,C[C@H]1Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c2[C@@H](C)O1
534967,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,367.1877,[M+H]+,60.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534968,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,367.1877,[M+H]+,60.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534969,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,367.1877,[M+H]+,20.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534970,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,367.1877,[M+H]+,60.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534971,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,367.1877,[M+H]+,20.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534972,CN(C)c1nc2c(cc(NC(=O)c3cc(N4CCOCC4)cnc3)cc2)[nH]1,367.1877,[M+H]+,60.0,test,CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1
534973,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,367.1877,[M+H]+,20.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534974,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,367.1877,[M+H]+,20.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534975,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,367.1877,[M+H]+,60.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534976,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,367.1877,[M+H]+,20.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534977,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,367.1877,[M+H]+,45.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534978,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,367.1877,[M+H]+,60.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534979,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,367.1877,[M+H]+,20.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534980,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O,367.1877,[M+H]+,45.0,test,Cn1ncnc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
534981,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,365.17315,[M-H]-,20.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
534982,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,365.17315,[M-H]-,20.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
534983,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,365.17315,[M-H]-,60.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
534984,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,365.17315,[M-H]-,30.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
534985,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,365.17315,[M-H]-,20.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
534986,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,365.17315,[M-H]-,60.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
534987,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,365.17315,[M-H]-,30.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
534988,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,365.17315,[M-H]-,20.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
534989,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,365.17315,[M-H]-,20.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534990,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,365.17315,[M-H]-,20.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534991,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,365.17315,[M-H]-,60.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534992,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,365.17315,[M-H]-,30.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534993,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,365.17315,[M-H]-,20.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534994,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,367.1877,[M+H]+,30.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534995,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,367.1877,[M+H]+,30.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534996,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,367.1877,[M+H]+,20.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534997,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,367.1877,[M+H]+,60.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534998,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cnccc1)c1cnccc1,367.1877,[M+H]+,30.0,test,C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1
534999,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,367.1877,[M+H]+,20.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
535000,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,367.1877,[M+H]+,20.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
535001,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,367.1877,[M+H]+,60.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
535002,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,367.1877,[M+H]+,20.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
535003,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,367.1877,[M+H]+,45.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
535004,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,367.1877,[M+H]+,60.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
535005,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,367.1877,[M+H]+,20.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
535006,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1,367.1877,[M+H]+,45.0,test,CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1
535007,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1,367.1877,[M+H]+,20.0,test,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1
535008,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1,367.1877,[M+H]+,20.0,test,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1
535009,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1,367.1877,[M+H]+,60.0,test,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1
535010,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1,367.1877,[M+H]+,20.0,test,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1
535011,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1,367.1877,[M+H]+,60.0,test,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1
535012,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1,367.1877,[M+H]+,20.0,test,Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1
535013,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,397.16298,[M-H]-,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535014,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,397.16298,[M-H]-,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535015,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,397.16298,[M-H]-,30.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535016,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,397.16298,[M-H]-,60.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535017,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,397.16298,[M-H]-,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535018,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,397.16298,[M-H]-,45.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535019,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,397.16298,[M-H]-,60.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535020,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,397.16298,[M-H]-,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535021,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,433.13965,[M+Cl]-,15.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535022,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,433.13965,[M+Cl]-,15.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535023,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,433.13965,[M+Cl]-,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535024,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,433.13965,[M+Cl]-,60.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535025,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,433.13965,[M+Cl]-,15.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535026,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,399.17753,[M+H]+,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535027,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,399.17753,[M+H]+,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535028,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,399.17753,[M+H]+,60.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535029,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,399.17753,[M+H]+,30.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535030,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,399.17753,[M+H]+,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535031,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,399.17753,[M+H]+,60.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535032,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,399.17753,[M+H]+,30.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535033,Cc1c(CCCNC(=O)CCNC(=O)c2cc3c([nH]2)c([N+](=O)[O-])ccc3)cn[nH]1,399.17753,[M+H]+,20.0,test,Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
535034,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,393.11911,[M-H]-,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535035,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,393.11911,[M-H]-,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535036,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,393.11911,[M-H]-,60.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535037,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,393.11911,[M-H]-,30.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535038,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,393.11911,[M-H]-,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535039,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,395.13366,[M+H]+,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535040,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,395.13366,[M+H]+,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535041,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,395.13366,[M+H]+,60.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535042,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,395.13366,[M+H]+,30.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535043,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,395.13366,[M+H]+,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
535044,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,393.11911,[M-H]-,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535045,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,393.11911,[M-H]-,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535046,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,393.11911,[M-H]-,60.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535047,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,393.11911,[M-H]-,30.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535048,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,393.11911,[M-H]-,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535049,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,395.13366,[M+H]+,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535050,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,395.13366,[M+H]+,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535051,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,395.13366,[M+H]+,60.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535052,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,395.13366,[M+H]+,30.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535053,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,395.13366,[M+H]+,20.0,test,CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
535054,Cc1cn(C2CCN(C(=O)NCC3(c4cc(Br)ccc4)CC3)C2)nc1,403.1128,[M+H]+,20.0,test,Cc1cnn(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
535055,Cc1cn(C2CCN(C(=O)NCC3(c4cc(Br)ccc4)CC3)C2)nc1,403.1128,[M+H]+,20.0,test,Cc1cnn(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
535056,Cc1cn(C2CCN(C(=O)NCC3(c4cc(Br)ccc4)CC3)C2)nc1,403.1128,[M+H]+,60.0,test,Cc1cnn(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
535057,Cc1cn(C2CCN(C(=O)NCC3(c4cc(Br)ccc4)CC3)C2)nc1,403.1128,[M+H]+,30.0,test,Cc1cnn(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
535058,Cc1cn(C2CCN(C(=O)NCC3(c4cc(Br)ccc4)CC3)C2)nc1,403.1128,[M+H]+,20.0,test,Cc1cnn(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
535059,Cc1cn(C2CCN(C(=O)NCC3(c4cc(Br)ccc4)CC3)C2)nc1,403.1128,[M+H]+,60.0,test,Cc1cnn(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
535060,Cc1cn(C2CCN(C(=O)NCC3(c4cc(Br)ccc4)CC3)C2)nc1,403.1128,[M+H]+,30.0,test,Cc1cnn(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
535061,Cc1cn(C2CCN(C(=O)NCC3(c4cc(Br)ccc4)CC3)C2)nc1,403.1128,[M+H]+,20.0,test,Cc1cnn(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
535062,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,465.06015,[M-H]-,20.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535063,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,465.06015,[M-H]-,20.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535064,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,465.06015,[M-H]-,60.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535065,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,465.06015,[M-H]-,15.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535066,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,465.06015,[M-H]-,20.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535067,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,467.0747,[M+H]+,20.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535068,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,467.0747,[M+H]+,20.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535069,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,467.0747,[M+H]+,60.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535070,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,467.0747,[M+H]+,30.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535071,CC(C(=O)N/N=C/c1cc(Br)c(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O,467.0747,[M+H]+,20.0,test,CC(C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O
535072,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,405.13351,[M-H]-,20.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535073,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,405.13351,[M-H]-,20.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535074,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,405.13351,[M-H]-,60.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535075,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,405.13351,[M-H]-,30.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535076,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,405.13351,[M-H]-,20.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535077,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,407.14806,[M+H]+,20.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535078,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,407.14806,[M+H]+,20.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535079,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,407.14806,[M+H]+,45.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535080,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,407.14806,[M+H]+,60.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535081,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1,407.14806,[M+H]+,20.0,test,CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N2CCOCC2)n1
535082,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,437.10558,[M-H]-,20.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535083,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,437.10558,[M-H]-,20.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535084,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,437.10558,[M-H]-,45.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535085,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,437.10558,[M-H]-,60.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535086,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,437.10558,[M-H]-,45.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535087,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,437.10558,[M-H]-,60.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535088,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,437.10558,[M-H]-,20.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535089,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,437.10558,[M-H]-,20.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535090,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,437.10558,[M-H]-,45.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535091,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,437.10558,[M-H]-,60.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535092,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,437.10558,[M-H]-,20.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535093,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,439.12013,[M+H]+,30.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535094,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,439.12013,[M+H]+,30.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535095,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,439.12013,[M+H]+,20.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535096,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,439.12013,[M+H]+,60.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535097,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,439.12013,[M+H]+,30.0,test,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
535098,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,439.12013,[M+H]+,20.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535099,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,439.12013,[M+H]+,20.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535100,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,439.12013,[M+H]+,45.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535101,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,439.12013,[M+H]+,60.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535102,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,439.12013,[M+H]+,20.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535103,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,439.12013,[M+H]+,45.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535104,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,439.12013,[M+H]+,60.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535105,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O,439.12013,[M+H]+,20.0,test,Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O
535106,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C,392.18926,[M+H]+,20.0,test,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C
535107,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C,392.18926,[M+H]+,20.0,test,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C
535108,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C,392.18926,[M+H]+,60.0,test,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C
535109,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C,392.18926,[M+H]+,20.0,test,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C
535110,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C,392.18926,[M+H]+,60.0,test,CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C
535111,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1,326.16854,[M+H]+,20.0,test,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1
535112,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1,326.16854,[M+H]+,20.0,test,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1
535113,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1,326.16854,[M+H]+,60.0,test,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1
535114,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1,326.16854,[M+H]+,30.0,test,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1
535115,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1,326.16854,[M+H]+,20.0,test,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1
535116,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1,326.16854,[M+H]+,20.0,test,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1
535117,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1,326.16854,[M+H]+,60.0,test,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1
535118,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1,326.16854,[M+H]+,30.0,test,CSc1ccc(CN2CCC3CN(c4ccccn4)CC32)cc1
535119,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1,326.16854,[M+H]+,20.0,test,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1
535120,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1,326.16854,[M+H]+,20.0,test,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1
535121,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1,326.16854,[M+H]+,60.0,test,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1
535122,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1,326.16854,[M+H]+,20.0,test,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1
535123,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1,326.16854,[M+H]+,60.0,test,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1
535124,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1,326.16854,[M+H]+,20.0,test,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1
535125,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C,326.16854,[M+H]+,20.0,test,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C
535126,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C,326.16854,[M+H]+,20.0,test,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C
535127,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C,326.16854,[M+H]+,60.0,test,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C
535128,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C,326.16854,[M+H]+,15.0,test,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C
535129,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C,326.16854,[M+H]+,20.0,test,Cc1cccc(N2CN(CCc3ccccc3)CNC2=S)c1C
535130,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1,326.16854,[M+H]+,20.0,test,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1
535131,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1,326.16854,[M+H]+,20.0,test,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1
535132,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1,326.16854,[M+H]+,60.0,test,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1
535133,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1,326.16854,[M+H]+,30.0,test,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1
535134,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1,326.16854,[M+H]+,20.0,test,CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1
535135,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,398.18338,[M+FA]-,20.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535136,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,398.18338,[M+FA]-,20.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535137,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,398.18338,[M+FA]-,60.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535138,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,398.18338,[M+FA]-,15.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535139,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,398.18338,[M+FA]-,20.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535140,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,352.1779,[M-H]-,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535141,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,352.1779,[M-H]-,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535142,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,352.1779,[M-H]-,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535143,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,398.18338,[M+FA]-,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535144,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,398.18338,[M+FA]-,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535145,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,398.18338,[M+FA]-,60.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535146,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,398.18338,[M+FA]-,15.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535147,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,398.18338,[M+FA]-,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535148,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,352.1779,[M-H]-,20.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535149,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,352.1779,[M-H]-,20.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535150,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,352.1779,[M-H]-,60.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535151,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,352.1779,[M-H]-,45.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535152,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,352.1779,[M-H]-,20.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535153,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,352.1779,[M-H]-,20.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535154,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,352.1779,[M-H]-,60.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535155,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,352.1779,[M-H]-,45.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535156,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,352.1779,[M-H]-,60.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535157,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,352.1779,[M-H]-,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535158,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,352.1779,[M-H]-,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535159,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,352.1779,[M-H]-,60.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535160,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,352.1779,[M-H]-,15.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535161,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,352.1779,[M-H]-,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535162,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,388.15458,[M+Cl]-,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535163,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,398.18338,[M+FA]-,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535164,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,398.18338,[M+FA]-,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535165,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,398.18338,[M+FA]-,60.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535166,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,398.18338,[M+FA]-,15.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535167,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,398.18338,[M+FA]-,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535168,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,398.18338,[M+FA]-,60.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535169,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,398.18338,[M+FA]-,15.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535170,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,398.18338,[M+FA]-,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535171,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,352.1779,[M-H]-,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535172,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,352.1779,[M-H]-,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535173,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,352.1779,[M-H]-,60.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535174,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,352.1779,[M-H]-,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535175,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,352.1779,[M-H]-,45.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535176,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,398.18338,[M+FA]-,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535177,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,398.18338,[M+FA]-,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535178,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,398.18338,[M+FA]-,60.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535179,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,398.18338,[M+FA]-,15.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535180,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,398.18338,[M+FA]-,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535181,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,352.1779,[M-H]-,20.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535182,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,352.1779,[M-H]-,20.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535183,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,352.1779,[M-H]-,60.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535184,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,352.1779,[M-H]-,20.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535185,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,352.1779,[M-H]-,60.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535186,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,398.18338,[M+FA]-,20.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535187,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,398.18338,[M+FA]-,60.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535188,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,398.18338,[M+FA]-,15.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535189,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,398.18338,[M+FA]-,20.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535190,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,354.19245,[M+H]+,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535191,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,354.19245,[M+H]+,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535192,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,354.19245,[M+H]+,60.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535193,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,354.19245,[M+H]+,30.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535194,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,354.19245,[M+H]+,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535195,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,354.19245,[M+H]+,60.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535196,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,354.19245,[M+H]+,30.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535197,O=C(CCn1ccc2c1nccc2)N[C@@H]1CC(Cn2cccn2)C[C@H]1O,354.19245,[M+H]+,20.0,test,O=C(CCn1ccc2cccnc21)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
535198,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,354.19245,[M+H]+,20.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535199,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,354.19245,[M+H]+,20.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535200,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,354.19245,[M+H]+,60.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535201,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,354.19245,[M+H]+,30.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535202,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,354.19245,[M+H]+,20.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535203,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,354.19245,[M+H]+,60.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535204,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,354.19245,[M+H]+,30.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535205,CCn1cc(C2CCN(C(=O)c3cc4c(cc3)[nH]c(=O)n4C)CC2)cn1,354.19245,[M+H]+,20.0,test,CCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1
535206,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,354.19245,[M+H]+,20.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535207,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,354.19245,[M+H]+,20.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535208,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,354.19245,[M+H]+,60.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535209,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,354.19245,[M+H]+,20.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535210,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,354.19245,[M+H]+,45.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535211,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,354.19245,[M+H]+,60.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535212,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,354.19245,[M+H]+,20.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535213,CC(C)c1cc(NC(=O)c2cc3c(cc2)n(C2CCCC2)c(=O)[nH]3)n[nH]1,354.19245,[M+H]+,45.0,test,CC(C)c1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
535214,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,354.19245,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535215,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,354.19245,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535216,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,354.19245,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535217,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,354.19245,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535218,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,354.19245,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535219,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,354.19245,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535220,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,354.19245,[M+H]+,30.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535221,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1,354.19245,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCCC(n3ccnc3)C2)c2c(C(C)C)noc2n1
535222,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,354.19245,[M+H]+,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535223,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,354.19245,[M+H]+,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535224,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,354.19245,[M+H]+,60.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535225,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,354.19245,[M+H]+,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535226,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,354.19245,[M+H]+,45.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535227,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,354.19245,[M+H]+,60.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535228,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,354.19245,[M+H]+,20.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535229,O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(-c2ncc[nH]2)ncc1,354.19245,[M+H]+,45.0,test,O=C(NC1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
535230,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,354.19245,[M+H]+,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535231,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,354.19245,[M+H]+,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535232,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,354.19245,[M+H]+,60.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535233,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,354.19245,[M+H]+,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535234,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,354.19245,[M+H]+,45.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535235,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,354.19245,[M+H]+,60.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535236,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,354.19245,[M+H]+,20.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535237,O=C(NC1CCCN(c2nnccc2)C1)[C@H]1CCO[C@@H]1c1cnccc1,354.19245,[M+H]+,45.0,test,O=C(NC1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
535238,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,354.19245,[M+H]+,45.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535239,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,354.19245,[M+H]+,45.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535240,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,354.19245,[M+H]+,20.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535241,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,354.19245,[M+H]+,60.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535242,NC(=O)c1c(N)n(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cn1,354.19245,[M+H]+,45.0,test,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
535243,CNC(=O)c1nnc(NC(=O)N2CCCC2(C)Cc2ccccc2)cc1,354.19245,[M+H]+,20.0,test,CNC(=O)c1ccc(NC(=O)N2CCCC2(C)Cc2ccccc2)nn1
535244,CNC(=O)c1nnc(NC(=O)N2CCCC2(C)Cc2ccccc2)cc1,354.19245,[M+H]+,20.0,test,CNC(=O)c1ccc(NC(=O)N2CCCC2(C)Cc2ccccc2)nn1
535245,CNC(=O)c1nnc(NC(=O)N2CCCC2(C)Cc2ccccc2)cc1,354.19245,[M+H]+,60.0,test,CNC(=O)c1ccc(NC(=O)N2CCCC2(C)Cc2ccccc2)nn1
535246,CNC(=O)c1nnc(NC(=O)N2CCCC2(C)Cc2ccccc2)cc1,354.19245,[M+H]+,30.0,test,CNC(=O)c1ccc(NC(=O)N2CCCC2(C)Cc2ccccc2)nn1
535247,CNC(=O)c1nnc(NC(=O)N2CCCC2(C)Cc2ccccc2)cc1,354.19245,[M+H]+,20.0,test,CNC(=O)c1ccc(NC(=O)N2CCCC2(C)Cc2ccccc2)nn1
535248,CNC(=O)c1nnc(NC(=O)N2CCCC2(C)Cc2ccccc2)cc1,354.19245,[M+H]+,60.0,test,CNC(=O)c1ccc(NC(=O)N2CCCC2(C)Cc2ccccc2)nn1
535249,CNC(=O)c1nnc(NC(=O)N2CCCC2(C)Cc2ccccc2)cc1,354.19245,[M+H]+,30.0,test,CNC(=O)c1ccc(NC(=O)N2CCCC2(C)Cc2ccccc2)nn1
535250,CNC(=O)c1nnc(NC(=O)N2CCCC2(C)Cc2ccccc2)cc1,354.19245,[M+H]+,20.0,test,CNC(=O)c1ccc(NC(=O)N2CCCC2(C)Cc2ccccc2)nn1
535251,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,354.19245,[M+H]+,20.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535252,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,354.19245,[M+H]+,20.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535253,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,354.19245,[M+H]+,60.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535254,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,354.19245,[M+H]+,30.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535255,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,354.19245,[M+H]+,20.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535256,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,354.19245,[M+H]+,60.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535257,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,354.19245,[M+H]+,30.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535258,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,354.19245,[M+H]+,20.0,test,CCn1nc(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
535259,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1,354.19245,[M+H]+,20.0,test,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
535260,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1,354.19245,[M+H]+,20.0,test,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
535261,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1,354.19245,[M+H]+,45.0,test,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
535262,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1,354.19245,[M+H]+,60.0,test,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
535263,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1,354.19245,[M+H]+,20.0,test,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
535264,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1,354.19245,[M+H]+,45.0,test,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
535265,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1,354.19245,[M+H]+,20.0,test,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
535266,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1,354.19245,[M+H]+,60.0,test,CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
535267,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1,354.19245,[M+H]+,20.0,test,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1
535268,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1,354.19245,[M+H]+,20.0,test,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1
535269,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1,354.19245,[M+H]+,60.0,test,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1
535270,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1,354.19245,[M+H]+,15.0,test,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1
535271,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1,354.19245,[M+H]+,20.0,test,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1
535272,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1,354.19245,[M+H]+,60.0,test,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1
535273,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1,354.19245,[M+H]+,20.0,test,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1
535274,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1,354.19245,[M+H]+,15.0,test,Cc1ccc(Cc2noc(CN3CCCCC3c3nc(C)no3)n2)cc1
535275,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1,314.17507,[M+H]+,20.0,test,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1
535276,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1,314.17507,[M+H]+,20.0,test,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1
535277,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1,314.17507,[M+H]+,60.0,test,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1
535278,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1,314.17507,[M+H]+,30.0,test,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1
535279,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1,314.17507,[M+H]+,20.0,test,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1
535280,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1,314.17507,[M+H]+,60.0,test,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1
535281,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1,314.17507,[M+H]+,30.0,test,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1
535282,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1,314.17507,[M+H]+,20.0,test,COCC1CCN(C(=O)c2ccc3ccc(OC)cc3c2)CC1
535283,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,296.16451,[M+H-H2O]+,20.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535284,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,296.16451,[M+H-H2O]+,20.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535285,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,296.16451,[M+H-H2O]+,60.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535286,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,296.16451,[M+H-H2O]+,20.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535287,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,296.16451,[M+H-H2O]+,45.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535288,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,314.17507,[M+H]+,20.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535289,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,314.17507,[M+H]+,20.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535290,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,314.17507,[M+H]+,60.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535291,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,314.17507,[M+H]+,30.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535292,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,314.17507,[M+H]+,20.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535293,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,314.17507,[M+H]+,60.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535294,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,314.17507,[M+H]+,30.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535295,CC(Nc1cc(Oc2ccccc2)ccc1)C1(O)CCOCC1,314.17507,[M+H]+,20.0,test,CC(Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
535296,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,20.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535297,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,20.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535298,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,60.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535299,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,15.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535300,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,20.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535301,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,60.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535302,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,15.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535303,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,20.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535304,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1,296.16451,[M+H-H2O]+,20.0,test,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
535305,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1,296.16451,[M+H-H2O]+,20.0,test,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
535306,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1,296.16451,[M+H-H2O]+,60.0,test,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
535307,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1,296.16451,[M+H-H2O]+,30.0,test,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
535308,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1,296.16451,[M+H-H2O]+,20.0,test,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
535309,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1ccc(O)cc1,314.17507,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2
535310,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1ccc(O)cc1,314.17507,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2
535311,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1ccc(O)cc1,314.17507,[M+H]+,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2
535312,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1ccc(O)cc1,314.17507,[M+H]+,30.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2
535313,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1ccc(O)cc1,314.17507,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2
535314,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1ccc(O)cc1,314.17507,[M+H]+,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2
535315,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1ccc(O)cc1,314.17507,[M+H]+,30.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2
535316,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1ccc(O)cc1,314.17507,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2
535317,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,20.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535318,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,20.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535319,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,60.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535320,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,15.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535321,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,20.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535322,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,60.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535323,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,15.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535324,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,314.17507,[M+H]+,20.0,test,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
535325,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,358.166,[M+FA]-,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535326,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,358.166,[M+FA]-,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535327,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,358.166,[M+FA]-,60.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535328,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,358.166,[M+FA]-,15.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535329,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,358.166,[M+FA]-,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535330,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1,314.17507,[M+H]+,20.0,test,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1
535331,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1,314.17507,[M+H]+,20.0,test,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1
535332,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1,314.17507,[M+H]+,60.0,test,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1
535333,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1,314.17507,[M+H]+,30.0,test,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1
535334,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1,314.17507,[M+H]+,20.0,test,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1
535335,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1,314.17507,[M+H]+,20.0,test,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1
535336,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1,314.17507,[M+H]+,30.0,test,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1
535337,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1,314.17507,[M+H]+,60.0,test,CCOCCOc1ccc(C(=O)NCCc2ccccc2)cc1
535338,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,20.0,test,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1
535339,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,20.0,test,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1
535340,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,60.0,test,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1
535341,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,30.0,test,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1
535342,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,20.0,test,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1
535343,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,20.0,test,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1
535344,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,30.0,test,CC(C)(C)C(=O)Nc1ccccc1OCCOc1ccccc1
535345,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,296.16451,[M+H-H2O]+,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535346,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,296.16451,[M+H-H2O]+,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535347,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,296.16451,[M+H-H2O]+,60.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535348,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,296.16451,[M+H-H2O]+,30.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535349,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,296.16451,[M+H-H2O]+,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535350,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,314.17507,[M+H]+,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535351,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,314.17507,[M+H]+,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535352,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,314.17507,[M+H]+,60.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535353,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,314.17507,[M+H]+,30.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535354,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1,314.17507,[M+H]+,20.0,test,COc1ccc(CCC(=O)NCC(C)(O)c2ccccc2)cc1
535355,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1,314.17507,[M+H]+,20.0,test,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1
535356,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1,314.17507,[M+H]+,20.0,test,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1
535357,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1,314.17507,[M+H]+,15.0,test,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1
535358,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1,314.17507,[M+H]+,60.0,test,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1
535359,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1,314.17507,[M+H]+,30.0,test,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1
535360,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1,314.17507,[M+H]+,20.0,test,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1
535361,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1,314.17507,[M+H]+,20.0,test,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1
535362,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1,314.17507,[M+H]+,60.0,test,CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1
535363,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,296.16451,[M+H-H2O]+,20.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535364,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,296.16451,[M+H-H2O]+,20.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535365,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,296.16451,[M+H-H2O]+,60.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535366,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,296.16451,[M+H-H2O]+,30.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535367,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,296.16451,[M+H-H2O]+,20.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535368,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,296.16451,[M+H-H2O]+,20.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535369,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,296.16451,[M+H-H2O]+,30.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535370,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,296.16451,[M+H-H2O]+,60.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535371,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,314.17507,[M+H]+,20.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535372,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,314.17507,[M+H]+,20.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535373,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,314.17507,[M+H]+,60.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535374,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,314.17507,[M+H]+,15.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535375,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1,314.17507,[M+H]+,20.0,test,COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1
535376,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1,314.17507,[M+H]+,20.0,test,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1
535377,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1,314.17507,[M+H]+,20.0,test,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1
535378,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1,314.17507,[M+H]+,60.0,test,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1
535379,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1,314.17507,[M+H]+,30.0,test,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1
535380,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1,314.17507,[M+H]+,20.0,test,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1
535381,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1,314.17507,[M+H]+,60.0,test,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1
535382,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1,314.17507,[M+H]+,30.0,test,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1
535383,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1,314.17507,[M+H]+,20.0,test,COc1ccc2cc(C(C)C(=O)NCC3CCCO3)ccc2c1
535384,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,20.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535385,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,20.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535386,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,15.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535387,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,60.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535388,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,30.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535389,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,20.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535390,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,60.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535391,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,20.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535392,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,314.17507,[M+H]+,30.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535393,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,336.15701,[M+Na]+,20.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535394,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,336.15701,[M+Na]+,20.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535395,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,336.15701,[M+Na]+,60.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535396,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,336.15701,[M+Na]+,30.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535397,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1,336.15701,[M+Na]+,20.0,test,COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1
535398,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1,314.17507,[M+H]+,20.0,test,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
535399,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1,314.17507,[M+H]+,20.0,test,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
535400,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1,314.17507,[M+H]+,45.0,test,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
535401,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1,314.17507,[M+H]+,60.0,test,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
535402,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1,314.17507,[M+H]+,20.0,test,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
535403,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1,314.17507,[M+H]+,20.0,test,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
535404,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1,314.17507,[M+H]+,45.0,test,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
535405,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1,314.17507,[M+H]+,60.0,test,COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
535406,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC,314.17507,[M+H]+,20.0,test,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC
535407,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC,314.17507,[M+H]+,20.0,test,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC
535408,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC,314.17507,[M+H]+,60.0,test,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC
535409,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC,314.17507,[M+H]+,30.0,test,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC
535410,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC,314.17507,[M+H]+,20.0,test,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC
535411,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC,314.17507,[M+H]+,60.0,test,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC
535412,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC,314.17507,[M+H]+,30.0,test,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC
535413,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC,314.17507,[M+H]+,20.0,test,CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC
535414,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1,314.17507,[M+H]+,20.0,test,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1
535415,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1,314.17507,[M+H]+,20.0,test,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1
535416,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1,314.17507,[M+H]+,15.0,test,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1
535417,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1,314.17507,[M+H]+,60.0,test,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1
535418,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1,314.17507,[M+H]+,20.0,test,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1
535419,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1,314.17507,[M+H]+,45.0,test,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1
535420,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1,314.17507,[M+H]+,20.0,test,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1
535421,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1,314.17507,[M+H]+,60.0,test,O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccco1
535422,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,20.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535423,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,20.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535424,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,60.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535425,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,30.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535426,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,20.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535427,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,60.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535428,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,30.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535429,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,314.17507,[M+H]+,20.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535430,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,336.15701,[M+Na]+,45.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535431,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,336.15701,[M+Na]+,45.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535432,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,336.15701,[M+Na]+,45.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535433,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,336.15701,[M+Na]+,20.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535434,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1,336.15701,[M+Na]+,60.0,test,CCN(CC)C(=O)c1ccccc1OCCOc1ccccc1
535435,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc3ccccc3cc2)C1,346.14714,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535436,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc3ccccc3cc2)C1,346.14714,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535437,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc3ccccc3cc2)C1,346.14714,[M+H]+,60.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535438,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc3ccccc3cc2)C1,346.14714,[M+H]+,30.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535439,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc3ccccc3cc2)C1,346.14714,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535440,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,390.13807,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535441,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,390.13807,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535442,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,390.13807,[M+FA]-,60.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535443,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,390.13807,[M+FA]-,15.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535444,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,390.13807,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535445,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,344.13259,[M-H]-,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535446,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,344.13259,[M-H]-,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535447,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,344.13259,[M-H]-,60.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535448,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,344.13259,[M-H]-,30.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535449,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,344.13259,[M-H]-,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535450,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,344.13259,[M-H]-,30.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535451,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,344.13259,[M-H]-,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535452,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,344.13259,[M-H]-,60.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535453,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,390.13807,[M+FA]-,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535454,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,390.13807,[M+FA]-,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535455,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,390.13807,[M+FA]-,60.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535456,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,390.13807,[M+FA]-,15.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535457,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,390.13807,[M+FA]-,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535458,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,390.13807,[M+FA]-,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535459,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,390.13807,[M+FA]-,15.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535460,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,390.13807,[M+FA]-,60.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535461,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,328.13658,[M+H-H2O]+,20.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535462,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,328.13658,[M+H-H2O]+,20.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535463,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,328.13658,[M+H-H2O]+,60.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535464,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,328.13658,[M+H-H2O]+,15.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535465,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,328.13658,[M+H-H2O]+,20.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535466,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,328.13658,[M+H-H2O]+,20.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535467,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,328.13658,[M+H-H2O]+,15.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535468,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1,328.13658,[M+H-H2O]+,60.0,test,CCOc1ccc(CC(=O)NCC(O)(c2cccs2)C2CC2)cc1
535469,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,328.13658,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535470,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,328.13658,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535471,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,328.13658,[M+H-H2O]+,60.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535472,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,328.13658,[M+H-H2O]+,30.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535473,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1,328.13658,[M+H-H2O]+,20.0,test,CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1
535474,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1,346.14714,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1
535475,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1,346.14714,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1
535476,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1,346.14714,[M+H]+,60.0,test,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1
535477,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1,346.14714,[M+H]+,30.0,test,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1
535478,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1,346.14714,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCOCC1
535479,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1,346.14714,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1
535480,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1,346.14714,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1
535481,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1,346.14714,[M+H]+,60.0,test,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1
535482,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1,346.14714,[M+H]+,30.0,test,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1
535483,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1,346.14714,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1
535484,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1,346.14714,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1
535485,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1,346.14714,[M+H]+,30.0,test,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1
535486,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1,346.14714,[M+H]+,60.0,test,CC(Oc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1
535487,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1,346.14714,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535488,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1,346.14714,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535489,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1,346.14714,[M+H]+,60.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535490,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1,346.14714,[M+H]+,30.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535491,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1,346.14714,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)C1
535492,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,467.14785,[M+Cl]-,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535493,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,467.14785,[M+Cl]-,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535494,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,467.14785,[M+Cl]-,15.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535495,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,477.17666,[M+FA]-,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535496,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,477.17666,[M+FA]-,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535497,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,477.17666,[M+FA]-,60.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535498,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,477.17666,[M+FA]-,15.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535499,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,477.17666,[M+FA]-,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535500,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,433.18573,[M+H]+,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535501,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,433.18573,[M+H]+,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535502,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,433.18573,[M+H]+,60.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535503,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,433.18573,[M+H]+,30.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535504,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,433.18573,[M+H]+,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535505,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,433.18573,[M+H]+,60.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535506,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,433.18573,[M+H]+,30.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535507,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F,433.18573,[M+H]+,20.0,test,NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
535508,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1,330.19762,[M+H]+,20.0,test,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1
535509,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1,330.19762,[M+H]+,20.0,test,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1
535510,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1,330.19762,[M+H]+,60.0,test,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1
535511,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1,330.19762,[M+H]+,15.0,test,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1
535512,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1,330.19762,[M+H]+,20.0,test,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1
535513,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1,330.19762,[M+H]+,45.0,test,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1
535514,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1,330.19762,[M+H]+,60.0,test,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1
535515,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1,330.19762,[M+H]+,20.0,test,O=c1c2ccc(F)cc2ncn1CC1CCN(C2CCCC2)CC1
535516,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1,330.19762,[M+H]+,20.0,test,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1
535517,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1,330.19762,[M+H]+,20.0,test,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1
535518,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1,330.19762,[M+H]+,60.0,test,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1
535519,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1,330.19762,[M+H]+,30.0,test,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1
535520,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1,330.19762,[M+H]+,20.0,test,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1
535521,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1,330.19762,[M+H]+,30.0,test,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1
535522,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1,330.19762,[M+H]+,60.0,test,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1
535523,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1,330.19762,[M+H]+,20.0,test,Cn1cc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCCCC1
535524,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1,330.19762,[M+H]+,20.0,test,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
535525,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1,330.19762,[M+H]+,20.0,test,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
535526,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1,330.19762,[M+H]+,60.0,test,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
535527,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1,330.19762,[M+H]+,30.0,test,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
535528,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1,330.19762,[M+H]+,20.0,test,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
535529,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1,330.19762,[M+H]+,30.0,test,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
535530,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1,330.19762,[M+H]+,60.0,test,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
535531,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1,330.19762,[M+H]+,20.0,test,CCCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
535532,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,343.14857,[M-H]-,20.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535533,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,343.14857,[M-H]-,20.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535534,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,343.14857,[M-H]-,60.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535535,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,343.14857,[M-H]-,20.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535536,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,343.14857,[M-H]-,45.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535537,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,345.16312,[M+H]+,20.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535538,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,345.16312,[M+H]+,20.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535539,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,345.16312,[M+H]+,60.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535540,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,345.16312,[M+H]+,30.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535541,CC1(C)CCCCC1NCc1csc(-c2cc(C(=O)O)ccc2)n1,345.16312,[M+H]+,20.0,test,CC1(C)CCCCC1NCc1csc(-c2cccc(C(=O)O)c2)n1
535542,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,343.14857,[M-H]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535543,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,343.14857,[M-H]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535544,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,343.14857,[M-H]-,60.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535545,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,343.14857,[M-H]-,30.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535546,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,343.14857,[M-H]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535547,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,343.14857,[M-H]-,60.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535548,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,343.14857,[M-H]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535549,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,343.14857,[M-H]-,30.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535550,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,379.12525,[M+Cl]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535551,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,379.12525,[M+Cl]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535552,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,379.12525,[M+Cl]-,60.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535553,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,379.12525,[M+Cl]-,15.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535554,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,379.12525,[M+Cl]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535555,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,379.12525,[M+Cl]-,15.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535556,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,379.12525,[M+Cl]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535557,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,379.12525,[M+Cl]-,60.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535558,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,389.15405,[M+FA]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535559,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,389.15405,[M+FA]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535560,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,389.15405,[M+FA]-,60.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535561,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,389.15405,[M+FA]-,15.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535562,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,389.15405,[M+FA]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535563,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,389.15405,[M+FA]-,15.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535564,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,389.15405,[M+FA]-,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535565,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,389.15405,[M+FA]-,60.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535566,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,343.14857,[M-H]-,45.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535567,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,343.14857,[M-H]-,45.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535568,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,343.14857,[M-H]-,45.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535569,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,343.14857,[M-H]-,60.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535570,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,345.16312,[M+H]+,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535571,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,345.16312,[M+H]+,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535572,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,345.16312,[M+H]+,60.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535573,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,345.16312,[M+H]+,30.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535574,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,345.16312,[M+H]+,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535575,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,345.16312,[M+H]+,20.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535576,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,345.16312,[M+H]+,30.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535577,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,345.16312,[M+H]+,60.0,test,CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1
535578,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O,345.16312,[M+H]+,20.0,test,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
535579,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O,345.16312,[M+H]+,20.0,test,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
535580,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O,345.16312,[M+H]+,60.0,test,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
535581,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O,345.16312,[M+H]+,30.0,test,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
535582,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O,345.16312,[M+H]+,20.0,test,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
535583,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O,345.16312,[M+H]+,30.0,test,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
535584,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O,345.16312,[M+H]+,60.0,test,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
535585,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O,345.16312,[M+H]+,20.0,test,CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
535586,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,345.16312,[M+H]+,20.0,test,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
535587,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,345.16312,[M+H]+,20.0,test,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
535588,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,345.16312,[M+H]+,30.0,test,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
535589,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,345.16312,[M+H]+,60.0,test,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
535590,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,345.16312,[M+H]+,15.0,test,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
535591,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,345.16312,[M+H]+,20.0,test,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
535592,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,345.16312,[M+H]+,60.0,test,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
535593,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,345.16312,[M+H]+,20.0,test,Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
535594,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1,345.16312,[M+H]+,20.0,test,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1
535595,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1,345.16312,[M+H]+,20.0,test,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1
535596,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1,345.16312,[M+H]+,60.0,test,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1
535597,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1,345.16312,[M+H]+,30.0,test,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1
535598,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1,345.16312,[M+H]+,20.0,test,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1
535599,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1,345.16312,[M+H]+,60.0,test,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1
535600,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1,345.16312,[M+H]+,30.0,test,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1
535601,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1,345.16312,[M+H]+,20.0,test,O=S(=O)(C1CC1)N1CCCN(Cc2cccc3ccccc23)CC1
535602,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,345.16312,[M+H]+,20.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535603,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,345.16312,[M+H]+,20.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535604,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,345.16312,[M+H]+,60.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535605,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,345.16312,[M+H]+,30.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535606,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O,345.16312,[M+H]+,20.0,test,Cc1ccsc1/C=N/NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
535607,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1,345.16312,[M+H]+,20.0,test,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1
535608,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1,345.16312,[M+H]+,20.0,test,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1
535609,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1,345.16312,[M+H]+,60.0,test,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1
535610,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1,345.16312,[M+H]+,30.0,test,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1
535611,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1,345.16312,[M+H]+,20.0,test,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1
535612,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1,345.16312,[M+H]+,60.0,test,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1
535613,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1,345.16312,[M+H]+,20.0,test,CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCOCC2)c1
535614,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,327.15256,[M+H-H2O]+,20.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535615,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,327.15256,[M+H-H2O]+,20.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535616,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,327.15256,[M+H-H2O]+,60.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535617,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,327.15256,[M+H-H2O]+,30.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535618,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,327.15256,[M+H-H2O]+,20.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535619,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,345.16312,[M+H]+,20.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535620,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,345.16312,[M+H]+,20.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535621,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,345.16312,[M+H]+,60.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535622,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,345.16312,[M+H]+,30.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535623,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,345.16312,[M+H]+,20.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535624,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,345.16312,[M+H]+,60.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535625,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,345.16312,[M+H]+,30.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535626,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1,345.16312,[M+H]+,20.0,test,Cc1cccc(CC(=O)N2CCN(CC(O)c3cccs3)CC2)c1
535627,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C,345.16312,[M+H]+,20.0,test,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C
535628,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C,345.16312,[M+H]+,20.0,test,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C
535629,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C,345.16312,[M+H]+,30.0,test,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C
535630,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C,345.16312,[M+H]+,60.0,test,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C
535631,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C,345.16312,[M+H]+,15.0,test,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C
535632,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C,345.16312,[M+H]+,20.0,test,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C
535633,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C,345.16312,[M+H]+,20.0,test,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C
535634,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C,345.16312,[M+H]+,60.0,test,Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C
535635,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,375.1384,[M-H]-,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535636,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,375.1384,[M-H]-,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535637,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,375.1384,[M-H]-,60.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535638,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,375.1384,[M-H]-,30.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535639,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,375.1384,[M-H]-,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535640,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,421.14388,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535641,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,421.14388,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535642,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,421.14388,[M+FA]-,60.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535643,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,421.14388,[M+FA]-,15.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535644,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,421.14388,[M+FA]-,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535645,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12,377.15295,[M+H]+,20.0,test,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12
535646,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12,377.15295,[M+H]+,20.0,test,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12
535647,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12,377.15295,[M+H]+,60.0,test,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12
535648,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12,377.15295,[M+H]+,20.0,test,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12
535649,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12,377.15295,[M+H]+,45.0,test,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12
535650,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12,377.15295,[M+H]+,60.0,test,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12
535651,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12,377.15295,[M+H]+,20.0,test,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12
535652,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12,377.15295,[M+H]+,45.0,test,CS(=O)(=O)Cc1c(C(=O)N2CCC(N3CCCC3)C2)oc2ccccc12
535653,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,377.15295,[M+H]+,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535654,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,377.15295,[M+H]+,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535655,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,377.15295,[M+H]+,60.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535656,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,377.15295,[M+H]+,15.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535657,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2,377.15295,[M+H]+,20.0,test,O=C(NCC(=O)N1CCCc2ccccc21)C1CC12CCS(=O)(=O)CC2
535658,COc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1,377.15295,[M+H]+,20.0,test,COc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
535659,COc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1,377.15295,[M+H]+,20.0,test,COc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
535660,COc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1,377.15295,[M+H]+,60.0,test,COc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
535661,COc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1,377.15295,[M+H]+,15.0,test,COc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
535662,COc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1,377.15295,[M+H]+,20.0,test,COc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
535663,COc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1,377.15295,[M+H]+,60.0,test,COc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
535664,COc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1,377.15295,[M+H]+,15.0,test,COc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
535665,COc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1,377.15295,[M+H]+,20.0,test,COc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
535666,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O,377.15295,[M+H]+,20.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O
535667,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O,377.15295,[M+H]+,20.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O
535668,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O,377.15295,[M+H]+,60.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O
535669,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O,377.15295,[M+H]+,30.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O
535670,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O,377.15295,[M+H]+,20.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O
535671,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O,377.15295,[M+H]+,60.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O
535672,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O,377.15295,[M+H]+,30.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O
535673,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O,377.15295,[M+H]+,20.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCC4(CC3)OCCO4)c2c1=O
535674,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2,309.20737,[M+H]+,20.0,test,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2
535675,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2,309.20737,[M+H]+,20.0,test,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2
535676,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2,309.20737,[M+H]+,45.0,test,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2
535677,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2,309.20737,[M+H]+,60.0,test,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2
535678,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2,309.20737,[M+H]+,20.0,test,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2
535679,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2,309.20737,[M+H]+,45.0,test,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2
535680,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2,309.20737,[M+H]+,60.0,test,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2
535681,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2,309.20737,[M+H]+,20.0,test,N#Cc1cc2c(nc1N1CC(N3CC4CCCC4C3)C1)CCC2
535682,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12,309.20737,[M+H]+,20.0,test,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12
535683,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12,309.20737,[M+H]+,20.0,test,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12
535684,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12,309.20737,[M+H]+,45.0,test,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12
535685,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12,309.20737,[M+H]+,60.0,test,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12
535686,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12,309.20737,[M+H]+,20.0,test,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12
535687,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12,309.20737,[M+H]+,45.0,test,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12
535688,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12,309.20737,[M+H]+,60.0,test,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12
535689,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12,309.20737,[M+H]+,20.0,test,Cc1nnc(N2CC(N3CC4CCCC4C3)C2)c2ccccc12
535690,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1,309.20737,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1
535691,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1,309.20737,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1
535692,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1,309.20737,[M+H]+,45.0,test,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1
535693,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1,309.20737,[M+H]+,60.0,test,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1
535694,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1,309.20737,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1
535695,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1,309.20737,[M+H]+,60.0,test,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1
535696,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1,309.20737,[M+H]+,45.0,test,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1
535697,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1,309.20737,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(Cc4ccccc4)CC3C2)n1
535698,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C,309.20737,[M+H]+,20.0,test,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C
535699,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C,309.20737,[M+H]+,20.0,test,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C
535700,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C,309.20737,[M+H]+,60.0,test,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C
535701,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C,309.20737,[M+H]+,20.0,test,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C
535702,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C,309.20737,[M+H]+,60.0,test,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C
535703,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C,309.20737,[M+H]+,20.0,test,Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C
535704,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,355.17757,[M-H]-,20.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535705,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,355.17757,[M-H]-,20.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535706,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,355.17757,[M-H]-,60.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535707,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,355.17757,[M-H]-,20.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535708,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,355.17757,[M-H]-,45.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535709,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,355.17757,[M-H]-,60.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535710,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,355.17757,[M-H]-,20.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535711,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,355.17757,[M-H]-,45.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535712,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,401.18304,[M+FA]-,20.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535713,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,401.18304,[M+FA]-,20.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535714,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,401.18304,[M+FA]-,60.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535715,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,401.18304,[M+FA]-,15.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535716,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,401.18304,[M+FA]-,20.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535717,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,355.17757,[M-H]-,20.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535718,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,355.17757,[M-H]-,20.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535719,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,355.17757,[M-H]-,60.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535720,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,355.17757,[M-H]-,30.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535721,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,355.17757,[M-H]-,20.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535722,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1,357.19212,[M+H]+,20.0,test,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1
535723,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1,357.19212,[M+H]+,20.0,test,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1
535724,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1,357.19212,[M+H]+,60.0,test,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1
535725,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1,357.19212,[M+H]+,15.0,test,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1
535726,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1,357.19212,[M+H]+,20.0,test,O=C(NC1CCN(Cc2ccccc2)C1=O)N1CCN(C2CC2)C(=O)C1
535727,COc1cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)cc(OC)c1,357.19212,[M+H]+,20.0,test,COc1cc(OC)cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)c1
535728,COc1cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)cc(OC)c1,357.19212,[M+H]+,20.0,test,COc1cc(OC)cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)c1
535729,COc1cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)cc(OC)c1,357.19212,[M+H]+,60.0,test,COc1cc(OC)cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)c1
535730,COc1cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)cc(OC)c1,357.19212,[M+H]+,30.0,test,COc1cc(OC)cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)c1
535731,COc1cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)cc(OC)c1,357.19212,[M+H]+,20.0,test,COc1cc(OC)cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)c1
535732,COc1cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)cc(OC)c1,357.19212,[M+H]+,60.0,test,COc1cc(OC)cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)c1
535733,COc1cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)cc(OC)c1,357.19212,[M+H]+,30.0,test,COc1cc(OC)cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)c1
535734,COc1cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)cc(OC)c1,357.19212,[M+H]+,20.0,test,COc1cc(OC)cc(N2CCC(N(C)c3nc(C)cc(C)n3)C2=O)c1
535735,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,357.19212,[M+H]+,20.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535736,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,357.19212,[M+H]+,20.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535737,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,357.19212,[M+H]+,60.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535738,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,357.19212,[M+H]+,30.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535739,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,357.19212,[M+H]+,20.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535740,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,357.19212,[M+H]+,60.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535741,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,357.19212,[M+H]+,30.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535742,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1,357.19212,[M+H]+,20.0,test,Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1
535743,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cn(C)nc2)ccc1C,357.19212,[M+H]+,20.0,test,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)ccc1C
535744,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cn(C)nc2)ccc1C,357.19212,[M+H]+,20.0,test,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)ccc1C
535745,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cn(C)nc2)ccc1C,357.19212,[M+H]+,60.0,test,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)ccc1C
535746,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cn(C)nc2)ccc1C,357.19212,[M+H]+,30.0,test,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)ccc1C
535747,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cn(C)nc2)ccc1C,357.19212,[M+H]+,20.0,test,CCc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)ccc1C
535748,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21,357.19212,[M+H]+,20.0,test,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21
535749,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21,357.19212,[M+H]+,20.0,test,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21
535750,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21,357.19212,[M+H]+,60.0,test,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21
535751,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21,357.19212,[M+H]+,30.0,test,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21
535752,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21,357.19212,[M+H]+,20.0,test,CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21
535753,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,357.19212,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535754,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,357.19212,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535755,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,357.19212,[M+H]+,60.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535756,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,357.19212,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535757,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,357.19212,[M+H]+,45.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535758,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,357.19212,[M+H]+,60.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535759,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,357.19212,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535760,COc1c(OC)cc(C(=O)N2CCC(Nc3nc(C)ncc3)CC2)cc1,357.19212,[M+H]+,45.0,test,COc1ccc(C(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1OC
535761,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,357.19212,[M+H]+,20.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535762,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,357.19212,[M+H]+,20.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535763,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,357.19212,[M+H]+,60.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535764,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,357.19212,[M+H]+,30.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535765,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,357.19212,[M+H]+,20.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535766,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,357.19212,[M+H]+,60.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535767,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,357.19212,[M+H]+,30.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535768,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1,357.19212,[M+H]+,20.0,test,COc1ccccc1-c1cc(NC(=O)C(C(C)C)N2CCCC2=O)n[nH]1
535769,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1,357.19212,[M+H]+,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1
535770,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1,357.19212,[M+H]+,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1
535771,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1,357.19212,[M+H]+,60.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1
535772,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1,357.19212,[M+H]+,30.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1
535773,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1,357.19212,[M+H]+,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1
535774,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1,357.19212,[M+H]+,60.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1
535775,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1,357.19212,[M+H]+,30.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1
535776,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1,357.19212,[M+H]+,20.0,test,CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C(C)N2CCc3ccccc32)o1
535777,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1,357.19212,[M+H]+,20.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1
535778,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1,357.19212,[M+H]+,20.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1
535779,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1,357.19212,[M+H]+,60.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1
535780,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1,357.19212,[M+H]+,30.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1
535781,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1,357.19212,[M+H]+,20.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)NCC3CCCO3)n2)c1
535782,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1,357.19212,[M+H]+,20.0,test,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1
535783,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1,357.19212,[M+H]+,20.0,test,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1
535784,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1,357.19212,[M+H]+,45.0,test,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1
535785,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1,357.19212,[M+H]+,60.0,test,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1
535786,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1,357.19212,[M+H]+,20.0,test,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1
535787,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1,357.19212,[M+H]+,45.0,test,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1
535788,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1,357.19212,[M+H]+,60.0,test,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1
535789,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1,357.19212,[M+H]+,20.0,test,CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1
535790,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1,357.19212,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1
535791,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1,357.19212,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1
535792,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1,357.19212,[M+H]+,60.0,test,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1
535793,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1,357.19212,[M+H]+,15.0,test,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1
535794,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1,357.19212,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCCC(c3nc(C4CC4)no3)C2)cc1
535795,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1,357.19212,[M+H]+,20.0,test,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
535796,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1,357.19212,[M+H]+,20.0,test,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
535797,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1,357.19212,[M+H]+,60.0,test,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
535798,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1,357.19212,[M+H]+,30.0,test,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
535799,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1,357.19212,[M+H]+,20.0,test,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
535800,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1,357.19212,[M+H]+,45.0,test,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
535801,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1,357.19212,[M+H]+,60.0,test,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
535802,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1,357.19212,[M+H]+,20.0,test,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
535803,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,460.11147,[M-H]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535804,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,460.11147,[M-H]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535805,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,460.11147,[M-H]-,60.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535806,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,460.11147,[M-H]-,15.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535807,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,460.11147,[M-H]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535808,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,460.11147,[M-H]-,60.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535809,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,460.11147,[M-H]-,15.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535810,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,460.11147,[M-H]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535811,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,496.08815,[M+Cl]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535812,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,496.08815,[M+Cl]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535813,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,496.08815,[M+Cl]-,15.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535814,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,506.11695,[M+FA]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535815,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,506.11695,[M+FA]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535816,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,506.11695,[M+FA]-,60.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535817,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,506.11695,[M+FA]-,15.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535818,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,506.11695,[M+FA]-,20.0,test,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1
535819,CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2)c2ncn(C(C)C)c2n1,389.18511,[M+H]+,20.0,test,CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
535820,CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2)c2ncn(C(C)C)c2n1,389.18511,[M+H]+,20.0,test,CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
535821,CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2)c2ncn(C(C)C)c2n1,389.18511,[M+H]+,60.0,test,CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
535822,CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2)c2ncn(C(C)C)c2n1,389.18511,[M+H]+,20.0,test,CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
535823,CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2)c2ncn(C(C)C)c2n1,389.18511,[M+H]+,45.0,test,CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
535824,CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2)c2ncn(C(C)C)c2n1,389.18511,[M+H]+,60.0,test,CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
535825,CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2)c2ncn(C(C)C)c2n1,389.18511,[M+H]+,20.0,test,CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
535826,CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2)c2ncn(C(C)C)c2n1,389.18511,[M+H]+,45.0,test,CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
535827,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C,447.16722,[M+H]+,30.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C
535828,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C,447.16722,[M+H]+,30.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C
535829,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C,447.16722,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C
535830,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C,447.16722,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C
535831,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C,447.16722,[M+H]+,30.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C
535832,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C,447.16722,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C
535833,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C,447.16722,[M+H]+,30.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C
535834,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C,447.16722,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C
535835,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1,392.1461,[M+H]+,20.0,test,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1
535836,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1,392.1461,[M+H]+,20.0,test,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1
535837,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1,392.1461,[M+H]+,30.0,test,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1
535838,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1,392.1461,[M+H]+,60.0,test,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1
535839,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1,392.1461,[M+H]+,15.0,test,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1
535840,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1,392.1461,[M+H]+,20.0,test,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1
535841,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1,392.1461,[M+H]+,60.0,test,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1
535842,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1,392.1461,[M+H]+,20.0,test,O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC(N2CCCC2)CC1
535843,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,374.15439,[M-H]-,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535844,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,374.15439,[M-H]-,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535845,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,374.15439,[M-H]-,60.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535846,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,374.15439,[M-H]-,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535847,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,374.15439,[M-H]-,45.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535848,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,420.15987,[M+FA]-,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535849,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,420.15987,[M+FA]-,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535850,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,420.15987,[M+FA]-,60.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535851,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,420.15987,[M+FA]-,15.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535852,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,420.15987,[M+FA]-,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535853,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,374.15439,[M-H]-,20.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535854,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,374.15439,[M-H]-,20.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535855,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,374.15439,[M-H]-,60.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535856,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,374.15439,[M-H]-,30.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535857,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,374.15439,[M-H]-,20.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535858,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,376.16894,[M+H]+,20.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535859,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,376.16894,[M+H]+,20.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535860,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,376.16894,[M+H]+,60.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535861,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,376.16894,[M+H]+,30.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535862,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,376.16894,[M+H]+,20.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535863,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,376.16894,[M+H]+,60.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535864,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,376.16894,[M+H]+,30.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535865,CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(COC)ncs2)cc1,376.16894,[M+H]+,20.0,test,CCCN(CCC)C(=O)c1ccc(NC(=O)c2scnc2COC)cc1
535866,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1,376.16894,[M+H]+,20.0,test,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1
535867,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1,376.16894,[M+H]+,20.0,test,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1
535868,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1,376.16894,[M+H]+,60.0,test,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1
535869,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1,376.16894,[M+H]+,30.0,test,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1
535870,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1,376.16894,[M+H]+,20.0,test,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1
535871,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1,376.16894,[M+H]+,60.0,test,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1
535872,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1,376.16894,[M+H]+,30.0,test,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1
535873,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1,376.16894,[M+H]+,20.0,test,Cc1nocc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1
535874,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,376.16894,[M+H]+,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535875,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,376.16894,[M+H]+,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535876,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,376.16894,[M+H]+,60.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535877,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,376.16894,[M+H]+,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535878,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,376.16894,[M+H]+,45.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535879,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,376.16894,[M+H]+,60.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535880,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,376.16894,[M+H]+,20.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535881,CN(C)S(=O)(=O)c1cnc(NCC2(c3ccccc3)CCOCC2)cc1,376.16894,[M+H]+,45.0,test,CN(C)S(=O)(=O)c1ccc(NCC2(c3ccccc3)CCOCC2)nc1
535882,Cc1cc(S(=O)(=O)N2CCCC(Oc3nc(C)nc(C)c3)C2)c(C)cc1,376.16894,[M+H]+,20.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c1
535883,Cc1cc(S(=O)(=O)N2CCCC(Oc3nc(C)nc(C)c3)C2)c(C)cc1,376.16894,[M+H]+,20.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c1
535884,Cc1cc(S(=O)(=O)N2CCCC(Oc3nc(C)nc(C)c3)C2)c(C)cc1,376.16894,[M+H]+,30.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c1
535885,Cc1cc(S(=O)(=O)N2CCCC(Oc3nc(C)nc(C)c3)C2)c(C)cc1,376.16894,[M+H]+,60.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c1
535886,Cc1cc(S(=O)(=O)N2CCCC(Oc3nc(C)nc(C)c3)C2)c(C)cc1,376.16894,[M+H]+,15.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c1
535887,Cc1cc(S(=O)(=O)N2CCCC(Oc3nc(C)nc(C)c3)C2)c(C)cc1,376.16894,[M+H]+,20.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c1
535888,Cc1cc(S(=O)(=O)N2CCCC(Oc3nc(C)nc(C)c3)C2)c(C)cc1,376.16894,[M+H]+,60.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c1
535889,Cc1cc(S(=O)(=O)N2CCCC(Oc3nc(C)nc(C)c3)C2)c(C)cc1,376.16894,[M+H]+,20.0,test,Cc1ccc(C)c(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c1
535890,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1,376.16894,[M+H]+,20.0,test,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1
535891,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1,376.16894,[M+H]+,20.0,test,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1
535892,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1,376.16894,[M+H]+,60.0,test,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1
535893,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1,376.16894,[M+H]+,15.0,test,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1
535894,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1,376.16894,[M+H]+,20.0,test,Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1
535895,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,374.15439,[M-H]-,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535896,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,374.15439,[M-H]-,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535897,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,374.15439,[M-H]-,60.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535898,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,374.15439,[M-H]-,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535899,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,374.15439,[M-H]-,60.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535900,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,410.13106,[M+Cl]-,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535901,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,410.13106,[M+Cl]-,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535902,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,410.13106,[M+Cl]-,60.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535903,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,410.13106,[M+Cl]-,15.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535904,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,410.13106,[M+Cl]-,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535905,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1,376.16894,[M+H]+,20.0,test,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1
535906,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1,376.16894,[M+H]+,20.0,test,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1
535907,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1,376.16894,[M+H]+,60.0,test,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1
535908,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1,376.16894,[M+H]+,30.0,test,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1
535909,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1,376.16894,[M+H]+,20.0,test,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1
535910,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1,376.16894,[M+H]+,30.0,test,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1
535911,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1,376.16894,[M+H]+,60.0,test,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1
535912,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1,376.16894,[M+H]+,20.0,test,Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)C3=COCCO3)sc2c1
535913,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1,376.16894,[M+H]+,20.0,test,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1
535914,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1,376.16894,[M+H]+,20.0,test,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1
535915,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1,376.16894,[M+H]+,45.0,test,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1
535916,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1,376.16894,[M+H]+,60.0,test,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1
535917,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1,376.16894,[M+H]+,20.0,test,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1
535918,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1,376.16894,[M+H]+,60.0,test,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1
535919,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1,376.16894,[M+H]+,45.0,test,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1
535920,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1,376.16894,[M+H]+,20.0,test,CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1
535921,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,376.16894,[M+H]+,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535922,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,376.16894,[M+H]+,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535923,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,376.16894,[M+H]+,60.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535924,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,376.16894,[M+H]+,30.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535925,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,376.16894,[M+H]+,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535926,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,376.16894,[M+H]+,60.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535927,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,376.16894,[M+H]+,30.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535928,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C,376.16894,[M+H]+,20.0,test,Cc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)c1C
535929,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,370.1707,[M-H]-,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535930,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,370.1707,[M-H]-,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535931,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,370.1707,[M-H]-,30.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535932,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,370.1707,[M-H]-,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535933,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,416.17618,[M+FA]-,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535934,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,416.17618,[M+FA]-,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535935,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,416.17618,[M+FA]-,60.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535936,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,416.17618,[M+FA]-,15.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535937,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,416.17618,[M+FA]-,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535938,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1,372.18526,[M+H]+,20.0,test,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1
535939,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1,372.18526,[M+H]+,20.0,test,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1
535940,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1,372.18526,[M+H]+,60.0,test,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1
535941,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1,372.18526,[M+H]+,20.0,test,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1
535942,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1,372.18526,[M+H]+,60.0,test,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1
535943,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1,372.18526,[M+H]+,20.0,test,CC1CCN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)CC1
535944,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,372.18526,[M+H]+,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535945,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,372.18526,[M+H]+,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535946,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,372.18526,[M+H]+,60.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535947,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,372.18526,[M+H]+,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535948,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,372.18526,[M+H]+,60.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535949,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1,372.18526,[M+H]+,20.0,test,O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NC1CCCC1
535950,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535951,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535952,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,60.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535953,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,30.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535954,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535955,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535956,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535957,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,60.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535958,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,30.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535959,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535960,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,60.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535961,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,30.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535962,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535963,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535964,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535965,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,60.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535966,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,30.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535967,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,282.18525,[M+H-H2O]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535968,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535969,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535970,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,60.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535971,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,30.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535972,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535973,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,60.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535974,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,30.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535975,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,300.19581,[M+H]+,20.0,test,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
535976,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1,300.19581,[M+H]+,20.0,test,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1
535977,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1,300.19581,[M+H]+,20.0,test,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1
535978,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1,300.19581,[M+H]+,45.0,test,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1
535979,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1,300.19581,[M+H]+,60.0,test,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1
535980,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1,300.19581,[M+H]+,20.0,test,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1
535981,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1,300.19581,[M+H]+,45.0,test,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1
535982,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1,300.19581,[M+H]+,60.0,test,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1
535983,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1,300.19581,[M+H]+,20.0,test,CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1
535984,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535985,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535986,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,60.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535987,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535988,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,45.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535989,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535990,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,60.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535991,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535992,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535993,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535994,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535995,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,60.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535996,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,30.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535997,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,298.18016,[M+H-H2O]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535998,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
535999,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
536000,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,60.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
536001,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,30.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
536002,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
536003,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,60.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
536004,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,30.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
536005,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,316.19072,[M+H]+,20.0,test,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
536006,COc1c(OC)cc2C3=CC(=O)C(CC(C)C)CN3CCc2c1,316.19072,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536007,COc1c(OC)cc2C3=CC(=O)C(CC(C)C)CN3CCc2c1,316.19072,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536008,COc1c(OC)cc2C3=CC(=O)C(CC(C)C)CN3CCc2c1,316.19072,[M+H]+,60.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536009,COc1c(OC)cc2C3=CC(=O)C(CC(C)C)CN3CCc2c1,316.19072,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536010,COc1c(OC)cc2C3=CC(=O)C(CC(C)C)CN3CCc2c1,316.19072,[M+H]+,60.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536011,COc1c(OC)cc2C3=CC(=O)C(CC(C)C)CN3CCc2c1,316.19072,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536012,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,316.19072,[M+H]+,20.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536013,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,316.19072,[M+H]+,20.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536014,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,316.19072,[M+H]+,60.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536015,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,316.19072,[M+H]+,20.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536016,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,316.19072,[M+H]+,45.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536017,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,316.19072,[M+H]+,60.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536018,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,316.19072,[M+H]+,20.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536019,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,316.19072,[M+H]+,45.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536020,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,338.17266,[M+Na]+,20.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536021,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,338.17266,[M+Na]+,20.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536022,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,338.17266,[M+Na]+,60.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536023,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,338.17266,[M+Na]+,30.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536024,O=C(CCCC/C=C/c1cc2c(cc1)OCO2)N1CCCCC1,338.17266,[M+Na]+,20.0,test,O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
536025,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1,360.18165,[M+FA]-,20.0,test,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1
536026,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1,360.18165,[M+FA]-,20.0,test,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1
536027,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1,360.18165,[M+FA]-,60.0,test,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1
536028,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1,360.18165,[M+FA]-,15.0,test,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1
536029,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1,360.18165,[M+FA]-,20.0,test,CCC(C(=O)NCCC(O)c1cc(C)oc1C)c1ccccc1
536030,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2,316.19072,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536031,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2,316.19072,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536032,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2,316.19072,[M+H]+,60.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536033,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2,316.19072,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536034,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2,316.19072,[M+H]+,60.0,test,COc1cc2c(cc1OC)C1=CC(=O)C(CC(C)C)CN1CC2
536035,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,316.19072,[M+H]+,20.0,test,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1
536036,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,316.19072,[M+H]+,20.0,test,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1
536037,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,316.19072,[M+H]+,60.0,test,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1
536038,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,316.19072,[M+H]+,30.0,test,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1
536039,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,316.19072,[M+H]+,20.0,test,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1
536040,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,316.19072,[M+H]+,30.0,test,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1
536041,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,316.19072,[M+H]+,60.0,test,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1
536042,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,316.19072,[M+H]+,20.0,test,CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1
536043,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2,316.19072,[M+H]+,20.0,test,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2
536044,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2,316.19072,[M+H]+,20.0,test,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2
536045,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2,316.19072,[M+H]+,45.0,test,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2
536046,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2,316.19072,[M+H]+,60.0,test,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2
536047,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2,316.19072,[M+H]+,20.0,test,CCCc1cc2c(cc1NC(=O)CC1CC3CCC1C3)OCO2
536048,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2c1ccc(Cl)c2,376.18986,[M+H]+,20.0,test,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2cc(Cl)ccc21
536049,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2c1ccc(Cl)c2,376.18986,[M+H]+,20.0,test,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2cc(Cl)ccc21
536050,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2c1ccc(Cl)c2,376.18986,[M+H]+,60.0,test,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2cc(Cl)ccc21
536051,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2c1ccc(Cl)c2,376.18986,[M+H]+,30.0,test,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2cc(Cl)ccc21
536052,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2c1ccc(Cl)c2,376.18986,[M+H]+,20.0,test,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2cc(Cl)ccc21
536053,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2c1ccc(Cl)c2,376.18986,[M+H]+,60.0,test,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2cc(Cl)ccc21
536054,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2c1ccc(Cl)c2,376.18986,[M+H]+,30.0,test,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2cc(Cl)ccc21
536055,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2c1ccc(Cl)c2,376.18986,[M+H]+,20.0,test,CC(C)Cn1ncnc1CN1CC(CC(=O)N(C)C)c2cc(Cl)ccc21
536056,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536057,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536058,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,60.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536059,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,30.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536060,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536061,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536062,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536063,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,60.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536064,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,15.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536065,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536066,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,60.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536067,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,15.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536068,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536069,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,821.8876,[M+H]+,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536070,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,821.8876,[M+H]+,60.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536071,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,821.8876,[M+H]+,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536072,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,821.8876,[M+H]+,60.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536073,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,821.8876,[M+H]+,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536074,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536075,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536076,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,60.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536077,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,30.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536078,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,855.84972,[M+Cl]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536079,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536080,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536081,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,60.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536082,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,15.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536083,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,865.87853,[M+FA]-,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536084,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,821.8876,[M+H]+,20.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536085,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,821.8876,[M+H]+,60.0,test,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
536086,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1,315.2067,[M+H]+,20.0,test,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1
536087,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1,315.2067,[M+H]+,20.0,test,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1
536088,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1,315.2067,[M+H]+,30.0,test,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1
536089,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1,315.2067,[M+H]+,60.0,test,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1
536090,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1,315.2067,[M+H]+,20.0,test,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1
536091,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1,315.2067,[M+H]+,30.0,test,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1
536092,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1,315.2067,[M+H]+,60.0,test,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1
536093,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1,315.2067,[M+H]+,20.0,test,CC(CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1
536094,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1,315.2067,[M+H]+,20.0,test,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1
536095,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1,315.2067,[M+H]+,20.0,test,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1
536096,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1,315.2067,[M+H]+,30.0,test,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1
536097,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1,315.2067,[M+H]+,60.0,test,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1
536098,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1,315.2067,[M+H]+,20.0,test,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1
536099,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1,315.2067,[M+H]+,45.0,test,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1
536100,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1,315.2067,[M+H]+,60.0,test,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1
536101,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1,315.2067,[M+H]+,20.0,test,COc1ccccc1N1CCC(NC(=O)C(C2CC2)C2CC2)C1
536102,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1,315.2067,[M+H]+,20.0,test,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1
536103,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1,315.2067,[M+H]+,20.0,test,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1
536104,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1,315.2067,[M+H]+,60.0,test,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1
536105,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1,315.2067,[M+H]+,15.0,test,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1
536106,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1,315.2067,[M+H]+,20.0,test,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1
536107,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1,337.18865,[M+Na]+,20.0,test,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1
536108,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1,337.18865,[M+Na]+,20.0,test,O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1
536109,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,313.19215,[M-H]-,20.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536110,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,313.19215,[M-H]-,20.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536111,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,313.19215,[M-H]-,45.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536112,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,313.19215,[M-H]-,60.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536113,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,313.19215,[M-H]-,20.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536114,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,359.19763,[M+FA]-,15.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536115,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,359.19763,[M+FA]-,15.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536116,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,359.19763,[M+FA]-,60.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536117,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,359.19763,[M+FA]-,20.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536118,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,359.19763,[M+FA]-,15.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536119,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,313.19215,[M-H]-,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536120,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,313.19215,[M-H]-,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536121,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,313.19215,[M-H]-,45.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536122,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,313.19215,[M-H]-,60.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536123,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,313.19215,[M-H]-,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536124,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,359.19763,[M+FA]-,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536125,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,359.19763,[M+FA]-,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536126,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,359.19763,[M+FA]-,60.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536127,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,359.19763,[M+FA]-,15.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536128,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,359.19763,[M+FA]-,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536129,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,359.19763,[M+FA]-,15.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536130,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,359.19763,[M+FA]-,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536131,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,359.19763,[M+FA]-,60.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536132,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,313.19215,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536133,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,313.19215,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536134,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,313.19215,[M-H]-,60.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536135,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,313.19215,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536136,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,313.19215,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536137,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,313.19215,[M-H]-,60.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536138,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C,315.2067,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C
536139,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C,315.2067,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C
536140,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C,315.2067,[M+H]+,60.0,test,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C
536141,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C,315.2067,[M+H]+,30.0,test,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C
536142,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C,315.2067,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)c1c(-c2ccccc2)noc1C
536143,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,337.18865,[M+Na]+,20.0,test,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1
536144,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,337.18865,[M+Na]+,20.0,test,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1
536145,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,337.18865,[M+Na]+,30.0,test,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1
536146,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,337.18865,[M+Na]+,60.0,test,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1
536147,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,337.18865,[M+Na]+,15.0,test,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1
536148,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,337.18865,[M+Na]+,20.0,test,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1
536149,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,337.18865,[M+Na]+,60.0,test,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1
536150,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,337.18865,[M+Na]+,20.0,test,Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1
536151,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,315.2067,[M+H]+,20.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536152,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,315.2067,[M+H]+,20.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536153,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,315.2067,[M+H]+,60.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536154,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,315.2067,[M+H]+,30.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536155,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1,315.2067,[M+H]+,20.0,test,O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1
536156,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1,315.2067,[M+H]+,20.0,test,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1
536157,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1,315.2067,[M+H]+,20.0,test,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1
536158,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1,315.2067,[M+H]+,60.0,test,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1
536159,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1,315.2067,[M+H]+,30.0,test,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1
536160,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1,315.2067,[M+H]+,20.0,test,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1
536161,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1,315.2067,[M+H]+,30.0,test,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1
536162,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1,315.2067,[M+H]+,60.0,test,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1
536163,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1,315.2067,[M+H]+,20.0,test,CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1
536164,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,315.2067,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536165,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,315.2067,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536166,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,315.2067,[M+H]+,45.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536167,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,315.2067,[M+H]+,60.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536168,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,315.2067,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536169,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,315.2067,[M+H]+,45.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536170,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,315.2067,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536171,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1,315.2067,[M+H]+,60.0,test,CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1
536172,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,315.2067,[M+H]+,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536173,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,315.2067,[M+H]+,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536174,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,315.2067,[M+H]+,30.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536175,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,315.2067,[M+H]+,60.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536176,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,315.2067,[M+H]+,15.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536177,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,315.2067,[M+H]+,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536178,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,315.2067,[M+H]+,20.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536179,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1,315.2067,[M+H]+,60.0,test,O=C(CC1CCCCC1)NCC1CC(=O)N(c2ccccc2)C1
536180,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1,315.2067,[M+H]+,20.0,test,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1
536181,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1,315.2067,[M+H]+,20.0,test,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1
536182,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1,315.2067,[M+H]+,45.0,test,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1
536183,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1,315.2067,[M+H]+,60.0,test,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1
536184,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1,315.2067,[M+H]+,20.0,test,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1
536185,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1,315.2067,[M+H]+,20.0,test,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1
536186,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1,315.2067,[M+H]+,60.0,test,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1
536187,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1,315.2067,[M+H]+,45.0,test,CCN1CCN(CC(O)COc2cccc3ccccc23)CC1
536188,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,373.17037,[M-H]-,20.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536189,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,373.17037,[M-H]-,20.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536190,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,373.17037,[M-H]-,60.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536191,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,373.17037,[M-H]-,20.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536192,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,373.17037,[M-H]-,45.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536193,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,373.17037,[M-H]-,60.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536194,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,373.17037,[M-H]-,20.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536195,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,373.17037,[M-H]-,45.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536196,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,375.18492,[M+H]+,20.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536197,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,375.18492,[M+H]+,20.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536198,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,375.18492,[M+H]+,60.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536199,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,375.18492,[M+H]+,30.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536200,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,375.18492,[M+H]+,20.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536201,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,375.18492,[M+H]+,60.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536202,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,375.18492,[M+H]+,30.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536203,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1,375.18492,[M+H]+,20.0,test,CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)C1(N2CCOCC2)CCCC1
536204,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1,375.18492,[M+H]+,20.0,test,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1
536205,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1,375.18492,[M+H]+,20.0,test,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1
536206,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1,375.18492,[M+H]+,60.0,test,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1
536207,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1,375.18492,[M+H]+,30.0,test,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1
536208,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1,375.18492,[M+H]+,20.0,test,COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1
536209,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,421.15512,[M-H]-,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536210,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,421.15512,[M-H]-,60.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536211,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,421.15512,[M-H]-,15.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536212,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,421.15512,[M-H]-,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536213,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,457.13179,[M+Cl]-,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536214,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,457.13179,[M+Cl]-,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536215,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,457.13179,[M+Cl]-,60.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536216,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,457.13179,[M+Cl]-,15.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536217,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,457.13179,[M+Cl]-,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536218,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,423.16967,[M+H]+,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536219,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,423.16967,[M+H]+,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536220,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,423.16967,[M+H]+,60.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536221,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,423.16967,[M+H]+,30.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536222,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,423.16967,[M+H]+,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536223,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,423.16967,[M+H]+,30.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536224,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,423.16967,[M+H]+,60.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536225,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1,423.16967,[M+H]+,20.0,test,CCN1CCCC1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
536226,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1,339.22917,[M+H]+,20.0,test,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1
536227,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1,339.22917,[M+H]+,20.0,test,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1
536228,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1,339.22917,[M+H]+,45.0,test,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1
536229,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1,339.22917,[M+H]+,60.0,test,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1
536230,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1,339.22917,[M+H]+,20.0,test,Cc1cc(C)nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1
536231,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1,339.22917,[M+H]+,20.0,test,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1
536232,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1,339.22917,[M+H]+,20.0,test,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1
536233,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1,339.22917,[M+H]+,45.0,test,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1
536234,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1,339.22917,[M+H]+,60.0,test,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1
536235,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1,339.22917,[M+H]+,20.0,test,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1
536236,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1,339.22917,[M+H]+,45.0,test,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1
536237,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1,339.22917,[M+H]+,60.0,test,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1
536238,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1,339.22917,[M+H]+,20.0,test,Cc1cc(N2CCCC2)nc(N2CCN(Cc3cccnc3)CC2)n1
536239,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1,339.22917,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1
536240,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1,339.22917,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1
536241,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1,339.22917,[M+H]+,45.0,test,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1
536242,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1,339.22917,[M+H]+,60.0,test,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1
536243,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1,339.22917,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1
536244,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1,339.22917,[M+H]+,45.0,test,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1
536245,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1,339.22917,[M+H]+,60.0,test,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1
536246,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1,339.22917,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(c3cc(C4CCC4)ncn3)C2)nc1
536247,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C,419.18599,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C
536248,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C,419.18599,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C
536249,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C,419.18599,[M+H]+,60.0,test,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C
536250,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C,419.18599,[M+H]+,15.0,test,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C
536251,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C,419.18599,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C
536252,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C,419.18599,[M+H]+,20.0,test,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C
536253,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C,419.18599,[M+H]+,15.0,test,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C
536254,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C,419.18599,[M+H]+,60.0,test,CCn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1C
536255,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,335.1853,[M+H]+,20.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536256,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,335.1853,[M+H]+,20.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536257,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,335.1853,[M+H]+,60.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536258,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,335.1853,[M+H]+,30.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536259,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,335.1853,[M+H]+,20.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536260,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,357.16724,[M+Na]+,30.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536261,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,357.16724,[M+Na]+,30.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536262,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,357.16724,[M+Na]+,60.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536263,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,357.16724,[M+Na]+,20.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536264,COC(=O)c1c2CCC(C)(C)Oc2c(OC)c2c1CCC(C)(C)O2,357.16724,[M+Na]+,30.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536265,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,352.21185,[M+NH4]+,20.0,test,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
536266,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,352.21185,[M+NH4]+,20.0,test,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
536267,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,352.21185,[M+NH4]+,60.0,test,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
536268,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,352.21185,[M+NH4]+,30.0,test,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
536269,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,352.21185,[M+NH4]+,20.0,test,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
536270,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,357.16724,[M+Na]+,20.0,test,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
536271,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,357.16724,[M+Na]+,20.0,test,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
536272,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,357.16724,[M+Na]+,20.0,test,CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
536273,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,335.1853,[M+H]+,20.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536274,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,335.1853,[M+H]+,20.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536275,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,335.1853,[M+H]+,60.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536276,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,335.1853,[M+H]+,15.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536277,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,335.1853,[M+H]+,20.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536278,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,357.16724,[M+Na]+,20.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536279,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,357.16724,[M+Na]+,20.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536280,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,357.16724,[M+Na]+,60.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536281,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,357.16724,[M+Na]+,30.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536282,CCC(C)C(=O)Oc1c(C2(COC(=O)C(C)C)CO2)ccc(C)c1,357.16724,[M+Na]+,20.0,test,CCC(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)C(C)C)CO1
536283,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2,335.1853,[M+H]+,20.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536284,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2,335.1853,[M+H]+,20.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536285,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2,335.1853,[M+H]+,60.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536286,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2,335.1853,[M+H]+,30.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536287,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2,335.1853,[M+H]+,20.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536288,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2,335.1853,[M+H]+,20.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536289,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2,335.1853,[M+H]+,30.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536290,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2,335.1853,[M+H]+,60.0,test,COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
536291,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1,314.22269,[M+H]+,20.0,test,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1
536292,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1,314.22269,[M+H]+,20.0,test,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1
536293,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1,314.22269,[M+H]+,60.0,test,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1
536294,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1,314.22269,[M+H]+,20.0,test,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1
536295,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1,314.22269,[M+H]+,60.0,test,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1
536296,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1,314.22269,[M+H]+,20.0,test,CC(C)(C)C(O)CN1CCN(c2ccnc3ccccc23)CC1
536297,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21,314.22269,[M+H]+,20.0,test,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21
536298,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21,314.22269,[M+H]+,20.0,test,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21
536299,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21,314.22269,[M+H]+,60.0,test,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21
536300,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21,314.22269,[M+H]+,20.0,test,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21
536301,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21,314.22269,[M+H]+,60.0,test,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21
536302,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21,314.22269,[M+H]+,20.0,test,CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21
536303,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1,314.22269,[M+H]+,20.0,test,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
536304,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1,314.22269,[M+H]+,20.0,test,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
536305,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1,314.22269,[M+H]+,45.0,test,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
536306,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1,314.22269,[M+H]+,60.0,test,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
536307,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1,314.22269,[M+H]+,20.0,test,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
536308,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1,314.22269,[M+H]+,45.0,test,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
536309,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1,314.22269,[M+H]+,20.0,test,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
536310,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1,314.22269,[M+H]+,60.0,test,CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
536311,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1,314.22269,[M+H]+,30.0,test,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1
536312,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1,314.22269,[M+H]+,30.0,test,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1
536313,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1,314.22269,[M+H]+,20.0,test,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1
536314,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1,314.22269,[M+H]+,60.0,test,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1
536315,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1,314.22269,[M+H]+,30.0,test,C(#CCN1CCN(c2ccccc2)CC1)COC1CCNCC1
536316,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,390.20344,[M+FA]-,20.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536317,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,390.20344,[M+FA]-,20.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536318,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,390.20344,[M+FA]-,60.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536319,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,390.20344,[M+FA]-,15.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536320,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,390.20344,[M+FA]-,20.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536321,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,390.20344,[M+FA]-,20.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536322,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,390.20344,[M+FA]-,60.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536323,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,390.20344,[M+FA]-,15.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536324,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,390.20344,[M+FA]-,20.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536325,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,390.20344,[M+FA]-,60.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536326,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,390.20344,[M+FA]-,15.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536327,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,390.20344,[M+FA]-,20.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536328,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,390.20344,[M+FA]-,20.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536329,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,390.20344,[M+FA]-,20.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536330,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,390.20344,[M+FA]-,60.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536331,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,390.20344,[M+FA]-,15.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536332,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,390.20344,[M+FA]-,20.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536333,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,390.20344,[M+FA]-,60.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536334,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,390.20344,[M+FA]-,15.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536335,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,390.20344,[M+FA]-,20.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536336,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,344.19797,[M-H]-,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536337,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,344.19797,[M-H]-,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536338,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,344.19797,[M-H]-,60.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536339,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,344.19797,[M-H]-,30.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536340,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,344.19797,[M-H]-,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536341,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,390.20344,[M+FA]-,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536342,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,390.20344,[M+FA]-,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536343,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,390.20344,[M+FA]-,60.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536344,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,390.20344,[M+FA]-,15.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536345,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,390.20344,[M+FA]-,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536346,COc1c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cccn1,346.21252,[M+H]+,20.0,test,COc1ncccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1
536347,COc1c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cccn1,346.21252,[M+H]+,20.0,test,COc1ncccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1
536348,COc1c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cccn1,346.21252,[M+H]+,60.0,test,COc1ncccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1
536349,COc1c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cccn1,346.21252,[M+H]+,30.0,test,COc1ncccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1
536350,COc1c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cccn1,346.21252,[M+H]+,20.0,test,COc1ncccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1
536351,COc1c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cccn1,346.21252,[M+H]+,60.0,test,COc1ncccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1
536352,COc1c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cccn1,346.21252,[M+H]+,30.0,test,COc1ncccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1
536353,COc1c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cccn1,346.21252,[M+H]+,20.0,test,COc1ncccc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1
536354,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,346.21252,[M+H]+,20.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536355,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,346.21252,[M+H]+,20.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536356,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,346.21252,[M+H]+,60.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536357,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,346.21252,[M+H]+,20.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536358,NC(=O)c1cc(C(=O)NC2CCN(C3CCCCC3O)CC2)ccc1,346.21252,[M+H]+,45.0,test,NC(=O)c1cccc(C(=O)NC2CCN(C3CCCCC3O)CC2)c1
536359,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C,346.21252,[M+H]+,20.0,test,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C
536360,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C,346.21252,[M+H]+,20.0,test,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C
536361,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C,346.21252,[M+H]+,60.0,test,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C
536362,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C,346.21252,[M+H]+,15.0,test,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C
536363,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C,346.21252,[M+H]+,20.0,test,CC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(=O)N1C
536364,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,346.21252,[M+H]+,20.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536365,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,346.21252,[M+H]+,20.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536366,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,346.21252,[M+H]+,60.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536367,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,346.21252,[M+H]+,30.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536368,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,346.21252,[M+H]+,20.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536369,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,346.21252,[M+H]+,60.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536370,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,346.21252,[M+H]+,30.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536371,Cc1cc2c(nc1)OCCN2C(=O)CC(C)NC(=O)C1CCCCC1,346.21252,[M+H]+,20.0,test,Cc1cnc2c(c1)N(C(=O)CC(C)NC(=O)C1CCCCC1)CCO2
536372,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,346.21252,[M+H]+,20.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536373,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,346.21252,[M+H]+,20.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536374,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,346.21252,[M+H]+,30.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536375,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,346.21252,[M+H]+,60.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536376,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,346.21252,[M+H]+,15.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536377,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,346.21252,[M+H]+,20.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536378,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,346.21252,[M+H]+,60.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536379,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1,346.21252,[M+H]+,20.0,test,CNC(=O)c1ccc(CNC(=O)N2CCC(C3CCOCC3)C2)cc1
536380,CC1CN2CCCC2CN1C(=O)NCc1cc2c(cc1)OCCCO2,346.21252,[M+H]+,20.0,test,CC1CN2CCCC2CN1C(=O)NCc1ccc2c(c1)OCCCO2
536381,CC1CN2CCCC2CN1C(=O)NCc1cc2c(cc1)OCCCO2,346.21252,[M+H]+,20.0,test,CC1CN2CCCC2CN1C(=O)NCc1ccc2c(c1)OCCCO2
536382,CC1CN2CCCC2CN1C(=O)NCc1cc2c(cc1)OCCCO2,346.21252,[M+H]+,60.0,test,CC1CN2CCCC2CN1C(=O)NCc1ccc2c(c1)OCCCO2
536383,CC1CN2CCCC2CN1C(=O)NCc1cc2c(cc1)OCCCO2,346.21252,[M+H]+,15.0,test,CC1CN2CCCC2CN1C(=O)NCc1ccc2c(c1)OCCCO2
536384,CC1CN2CCCC2CN1C(=O)NCc1cc2c(cc1)OCCCO2,346.21252,[M+H]+,20.0,test,CC1CN2CCCC2CN1C(=O)NCc1ccc2c(c1)OCCCO2
536385,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O,346.21252,[M+H]+,20.0,test,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O
536386,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O,346.21252,[M+H]+,20.0,test,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O
536387,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O,346.21252,[M+H]+,60.0,test,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O
536388,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O,346.21252,[M+H]+,30.0,test,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O
536389,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O,346.21252,[M+H]+,20.0,test,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O
536390,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O,346.21252,[M+H]+,60.0,test,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O
536391,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O,346.21252,[M+H]+,30.0,test,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O
536392,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O,346.21252,[M+H]+,20.0,test,CN(C)C(=O)Cn1cccc(C(=O)N2CCCC(C3CCC3)C2)c1=O
536393,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,346.21252,[M+H]+,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536394,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,346.21252,[M+H]+,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536395,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,346.21252,[M+H]+,60.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536396,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,346.21252,[M+H]+,30.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536397,O=C(NCCc1cc(O)ccc1)N1CCC(C(=O)N2CCCC2)CC1,346.21252,[M+H]+,20.0,test,O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1
536398,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C,346.21252,[M+H]+,20.0,test,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C
536399,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C,346.21252,[M+H]+,20.0,test,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C
536400,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C,346.21252,[M+H]+,60.0,test,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C
536401,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C,346.21252,[M+H]+,15.0,test,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C
536402,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C,346.21252,[M+H]+,20.0,test,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C
536403,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C,346.21252,[M+H]+,60.0,test,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C
536404,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C,346.21252,[M+H]+,15.0,test,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C
536405,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C,346.21252,[M+H]+,20.0,test,CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CCCC(=O)N1)C(C)C
536406,COc1c(NC(=O)N2CCCC2C2CCC2)cc(C(=O)N(C)C)cc1,346.21252,[M+H]+,20.0,test,COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCC1C1CCC1
536407,COc1c(NC(=O)N2CCCC2C2CCC2)cc(C(=O)N(C)C)cc1,346.21252,[M+H]+,20.0,test,COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCC1C1CCC1
536408,COc1c(NC(=O)N2CCCC2C2CCC2)cc(C(=O)N(C)C)cc1,346.21252,[M+H]+,60.0,test,COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCC1C1CCC1
536409,COc1c(NC(=O)N2CCCC2C2CCC2)cc(C(=O)N(C)C)cc1,346.21252,[M+H]+,30.0,test,COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCC1C1CCC1
536410,COc1c(NC(=O)N2CCCC2C2CCC2)cc(C(=O)N(C)C)cc1,346.21252,[M+H]+,20.0,test,COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCC1C1CCC1
536411,COc1c(NC(=O)N2CCCC2C2CCC2)cc(C(=O)N(C)C)cc1,346.21252,[M+H]+,60.0,test,COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCC1C1CCC1
536412,COc1c(NC(=O)N2CCCC2C2CCC2)cc(C(=O)N(C)C)cc1,346.21252,[M+H]+,30.0,test,COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCC1C1CCC1
536413,COc1c(NC(=O)N2CCCC2C2CCC2)cc(C(=O)N(C)C)cc1,346.21252,[M+H]+,20.0,test,COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCC1C1CCC1
536414,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1,346.21252,[M+H]+,20.0,test,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1
536415,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1,346.21252,[M+H]+,20.0,test,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1
536416,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1,346.21252,[M+H]+,60.0,test,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1
536417,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1,346.21252,[M+H]+,15.0,test,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1
536418,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1,346.21252,[M+H]+,20.0,test,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1
536419,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,344.19797,[M-H]-,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536420,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,344.19797,[M-H]-,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536421,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,344.19797,[M-H]-,60.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536422,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,344.19797,[M-H]-,30.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536423,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,344.19797,[M-H]-,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536424,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,344.19797,[M-H]-,60.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536425,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,344.19797,[M-H]-,30.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536426,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,344.19797,[M-H]-,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536427,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,390.20344,[M+FA]-,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536428,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,390.20344,[M+FA]-,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536429,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,390.20344,[M+FA]-,60.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536430,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,390.20344,[M+FA]-,15.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536431,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,390.20344,[M+FA]-,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536432,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,390.20344,[M+FA]-,60.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536433,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,390.20344,[M+FA]-,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536434,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,390.20344,[M+FA]-,15.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536435,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,344.19797,[M-H]-,20.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536436,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,344.19797,[M-H]-,20.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536437,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,344.19797,[M-H]-,45.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536438,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,344.19797,[M-H]-,60.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536439,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,344.19797,[M-H]-,20.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536440,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,344.19797,[M-H]-,45.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536441,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,344.19797,[M-H]-,60.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536442,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,344.19797,[M-H]-,20.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536443,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1,346.21252,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1
536444,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1,346.21252,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1
536445,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1,346.21252,[M+H]+,45.0,test,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1
536446,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1,346.21252,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1
536447,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1,346.21252,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1
536448,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1,346.21252,[M+H]+,45.0,test,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1
536449,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1,346.21252,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1
536450,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1,346.21252,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1
536451,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,346.21252,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536452,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,346.21252,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536453,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,346.21252,[M+H]+,60.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536454,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,346.21252,[M+H]+,30.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536455,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,346.21252,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536456,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,346.21252,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536457,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,346.21252,[M+H]+,30.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536458,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,346.21252,[M+H]+,60.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536459,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,368.19446,[M+Na]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536460,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1,368.19446,[M+Na]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)C2CCCCO2)C3)nc1
536461,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,346.21252,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536462,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,346.21252,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536463,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,346.21252,[M+H]+,30.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536464,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,346.21252,[M+H]+,60.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536465,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,346.21252,[M+H]+,15.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536466,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,346.21252,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536467,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,346.21252,[M+H]+,20.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536468,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O,346.21252,[M+H]+,60.0,test,CCCCC(CC)CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
536469,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,346.21252,[M+H]+,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536470,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,346.21252,[M+H]+,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536471,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,346.21252,[M+H]+,60.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536472,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,346.21252,[M+H]+,30.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536473,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21,346.21252,[M+H]+,20.0,test,CC(C)C(=O)N1CCCc2ccc(NC(=O)NCC3CCCO3)cc21
536474,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1,346.21252,[M+H]+,20.0,test,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1
536475,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1,346.21252,[M+H]+,20.0,test,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1
536476,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1,346.21252,[M+H]+,30.0,test,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1
536477,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1,346.21252,[M+H]+,60.0,test,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1
536478,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1,346.21252,[M+H]+,15.0,test,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1
536479,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1,346.21252,[M+H]+,20.0,test,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1
536480,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1,346.21252,[M+H]+,60.0,test,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1
536481,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1,346.21252,[M+H]+,20.0,test,COc1cccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c1
536482,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536483,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536484,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,30.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536485,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,60.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536486,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536487,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,45.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536488,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,60.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536489,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536490,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536491,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536492,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,60.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536493,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,30.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536494,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536495,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,60.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536496,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,30.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536497,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,376.18779,[M-H]-,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536498,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,378.20235,[M+H]+,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536499,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,378.20235,[M+H]+,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536500,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,378.20235,[M+H]+,60.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536501,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,378.20235,[M+H]+,30.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536502,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,378.20235,[M+H]+,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536503,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,378.20235,[M+H]+,60.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536504,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,378.20235,[M+H]+,30.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536505,COc1c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc(C(=O)O)c1,378.20235,[M+H]+,20.0,test,COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1
536506,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,422.19327,[M+FA]-,20.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536507,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,422.19327,[M+FA]-,20.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536508,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,422.19327,[M+FA]-,60.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536509,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,422.19327,[M+FA]-,15.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536510,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,422.19327,[M+FA]-,20.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536511,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,422.19327,[M+FA]-,15.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536512,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,422.19327,[M+FA]-,60.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536513,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,422.19327,[M+FA]-,20.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536514,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,378.20235,[M+H]+,20.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536515,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,378.20235,[M+H]+,20.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536516,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,378.20235,[M+H]+,60.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536517,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,378.20235,[M+H]+,30.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536518,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,378.20235,[M+H]+,20.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536519,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,378.20235,[M+H]+,20.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536520,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,378.20235,[M+H]+,30.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536521,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1,378.20235,[M+H]+,60.0,test,CCOC(=O)CCNC(=O)NCC1CC(=O)N(c2ccc(OCC)cc2)C1
536522,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,372.20411,[M-H]-,20.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536523,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,372.20411,[M-H]-,20.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536524,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,372.20411,[M-H]-,60.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536525,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,372.20411,[M-H]-,20.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536526,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,372.20411,[M-H]-,45.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536527,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,372.20411,[M-H]-,60.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536528,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,372.20411,[M-H]-,20.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536529,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,372.20411,[M-H]-,45.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536530,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,374.21867,[M+H]+,20.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536531,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,374.21867,[M+H]+,20.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536532,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,374.21867,[M+H]+,60.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536533,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,374.21867,[M+H]+,15.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536534,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,374.21867,[M+H]+,20.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536535,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,374.21867,[M+H]+,60.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536536,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,374.21867,[M+H]+,15.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536537,Cc1nn(C)c2c1c(C)c(CCC(=O)NCC(=O)N1CCCCC1)c(=O)[nH]2,374.21867,[M+H]+,20.0,test,Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12
536538,O=C(C1CCCCN1C(=O)c1nnc(N2CCCC2)cc1)N1CCOCC1,374.21867,[M+H]+,20.0,test,O=C(C1CCCCN1C(=O)c1ccc(N2CCCC2)nn1)N1CCOCC1
536539,O=C(C1CCCCN1C(=O)c1nnc(N2CCCC2)cc1)N1CCOCC1,374.21867,[M+H]+,20.0,test,O=C(C1CCCCN1C(=O)c1ccc(N2CCCC2)nn1)N1CCOCC1
536540,O=C(C1CCCCN1C(=O)c1nnc(N2CCCC2)cc1)N1CCOCC1,374.21867,[M+H]+,60.0,test,O=C(C1CCCCN1C(=O)c1ccc(N2CCCC2)nn1)N1CCOCC1
536541,O=C(C1CCCCN1C(=O)c1nnc(N2CCCC2)cc1)N1CCOCC1,374.21867,[M+H]+,15.0,test,O=C(C1CCCCN1C(=O)c1ccc(N2CCCC2)nn1)N1CCOCC1
536542,O=C(C1CCCCN1C(=O)c1nnc(N2CCCC2)cc1)N1CCOCC1,374.21867,[M+H]+,20.0,test,O=C(C1CCCCN1C(=O)c1ccc(N2CCCC2)nn1)N1CCOCC1
536543,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1,374.21867,[M+H]+,20.0,test,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1
536544,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1,374.21867,[M+H]+,20.0,test,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1
536545,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1,374.21867,[M+H]+,60.0,test,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1
536546,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1,374.21867,[M+H]+,30.0,test,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1
536547,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1,374.21867,[M+H]+,20.0,test,Cc1cn2nc(OCC3CCN(C(=O)NCC4CCCO4)CC3)ccc2n1
536548,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,404.19394,[M-H]-,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536549,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,404.19394,[M-H]-,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536550,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,404.19394,[M-H]-,60.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536551,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,404.19394,[M-H]-,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536552,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,404.19394,[M-H]-,45.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536553,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,404.19394,[M-H]-,60.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536554,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,404.19394,[M-H]-,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536555,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,404.19394,[M-H]-,45.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536556,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,440.17062,[M+Cl]-,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536557,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,440.17062,[M+Cl]-,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536558,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,440.17062,[M+Cl]-,60.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536559,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,440.17062,[M+Cl]-,15.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536560,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,440.17062,[M+Cl]-,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536561,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,406.20849,[M+H]+,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536562,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,406.20849,[M+H]+,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536563,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,406.20849,[M+H]+,30.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536564,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,406.20849,[M+H]+,60.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536565,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,406.20849,[M+H]+,15.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536566,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,406.20849,[M+H]+,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536567,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,406.20849,[M+H]+,60.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536568,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,406.20849,[M+H]+,20.0,test,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
536569,CCCCCCCCCc1cc(=O)c2ccccc2n1C,286.21654,[M+H]+,20.0,test,CCCCCCCCCc1cc(=O)c2ccccc2n1C
536570,CCCCCCCCCc1cc(=O)c2ccccc2n1C,286.21654,[M+H]+,20.0,test,CCCCCCCCCc1cc(=O)c2ccccc2n1C
536571,CCCCCCCCCc1cc(=O)c2ccccc2n1C,286.21654,[M+H]+,60.0,test,CCCCCCCCCc1cc(=O)c2ccccc2n1C
536572,CCCCCCCCCc1cc(=O)c2ccccc2n1C,286.21654,[M+H]+,20.0,test,CCCCCCCCCc1cc(=O)c2ccccc2n1C
536573,CCCCCCCCCc1cc(=O)c2ccccc2n1C,286.21654,[M+H]+,60.0,test,CCCCCCCCCc1cc(=O)c2ccccc2n1C
536574,CCCCCCCCCc1cc(=O)c2ccccc2n1C,286.21654,[M+H]+,20.0,test,CCCCCCCCCc1cc(=O)c2ccccc2n1C
536575,COc1c(OC)cc(C(C)NC(=O)CN2CCCCCCC2=O)cc1,349.21218,[M+H]+,20.0,test,COc1ccc(C(C)NC(=O)CN2CCCCCCC2=O)cc1OC
536576,COc1c(OC)cc(C(C)NC(=O)CN2CCCCCCC2=O)cc1,349.21218,[M+H]+,20.0,test,COc1ccc(C(C)NC(=O)CN2CCCCCCC2=O)cc1OC
536577,COc1c(OC)cc(C(C)NC(=O)CN2CCCCCCC2=O)cc1,349.21218,[M+H]+,60.0,test,COc1ccc(C(C)NC(=O)CN2CCCCCCC2=O)cc1OC
536578,COc1c(OC)cc(C(C)NC(=O)CN2CCCCCCC2=O)cc1,349.21218,[M+H]+,15.0,test,COc1ccc(C(C)NC(=O)CN2CCCCCCC2=O)cc1OC
536579,COc1c(OC)cc(C(C)NC(=O)CN2CCCCCCC2=O)cc1,349.21218,[M+H]+,20.0,test,COc1ccc(C(C)NC(=O)CN2CCCCCCC2=O)cc1OC
536580,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,349.21218,[M+H]+,20.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536581,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,349.21218,[M+H]+,20.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536582,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,349.21218,[M+H]+,60.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536583,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,349.21218,[M+H]+,30.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536584,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,349.21218,[M+H]+,20.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536585,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,349.21218,[M+H]+,60.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536586,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,349.21218,[M+H]+,30.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536587,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,349.21218,[M+H]+,20.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536588,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,371.19412,[M+Na]+,20.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536589,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,371.19412,[M+Na]+,60.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536590,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,371.19412,[M+Na]+,20.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536591,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1,371.19412,[M+Na]+,45.0,test,Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
536592,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,20.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536593,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,20.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536594,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,60.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536595,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,20.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536596,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,45.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536597,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,60.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536598,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,20.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536599,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,45.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536600,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,20.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536601,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,20.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536602,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,60.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536603,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,20.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536604,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,45.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536605,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,60.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536606,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,20.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536607,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,349.21218,[M+H]+,45.0,test,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
536608,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,393.20311,[M+FA]-,20.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536609,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,393.20311,[M+FA]-,20.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536610,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,393.20311,[M+FA]-,60.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536611,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,393.20311,[M+FA]-,15.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536612,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,393.20311,[M+FA]-,20.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536613,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,349.21218,[M+H]+,20.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536614,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,349.21218,[M+H]+,20.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536615,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,349.21218,[M+H]+,60.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536616,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,349.21218,[M+H]+,15.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536617,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1,349.21218,[M+H]+,20.0,test,COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1
536618,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,349.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536619,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,349.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536620,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,349.21218,[M+H]+,60.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536621,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,349.21218,[M+H]+,30.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536622,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,349.21218,[M+H]+,20.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536623,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,371.19412,[M+Na]+,30.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536624,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,371.19412,[M+Na]+,30.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536625,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,371.19412,[M+Na]+,60.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536626,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,371.19412,[M+Na]+,20.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536627,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,371.19412,[M+Na]+,30.0,test,CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
536628,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536629,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536630,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536631,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536632,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536633,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,399.16922,[M+Cl]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536634,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,399.16922,[M+Cl]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536635,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,399.16922,[M+Cl]-,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536636,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,399.16922,[M+Cl]-,30.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536637,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,399.16922,[M+Cl]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536638,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536639,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536640,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536641,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536642,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536643,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536644,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536645,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,15.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536646,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,60.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536647,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,363.19255,[M-H]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536648,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536649,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536650,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,60.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536651,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,15.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536652,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,409.19802,[M+FA]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536653,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536654,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536655,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536656,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536657,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536658,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536659,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536660,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
536661,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536662,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536663,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,60.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536664,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,30.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536665,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536666,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,60.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536667,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,30.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536668,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1,365.2071,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1
536669,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,389.21943,[M+FA]-,20.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536670,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,389.21943,[M+FA]-,20.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536671,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,389.21943,[M+FA]-,60.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536672,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,389.21943,[M+FA]-,15.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536673,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,389.21943,[M+FA]-,20.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536674,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,389.21943,[M+FA]-,15.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536675,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,389.21943,[M+FA]-,15.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536676,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,389.21943,[M+FA]-,20.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536677,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,389.21943,[M+FA]-,60.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536678,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,389.21943,[M+FA]-,15.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536679,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1,345.2285,[M+H]+,20.0,test,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1
536680,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1,345.2285,[M+H]+,20.0,test,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1
536681,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1,345.2285,[M+H]+,60.0,test,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1
536682,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1,345.2285,[M+H]+,30.0,test,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1
536683,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1,345.2285,[M+H]+,20.0,test,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1
536684,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1,345.2285,[M+H]+,60.0,test,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1
536685,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1,345.2285,[M+H]+,30.0,test,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1
536686,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1,345.2285,[M+H]+,20.0,test,Cc1nc(C2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1
536687,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1,345.2285,[M+H]+,20.0,test,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
536688,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1,345.2285,[M+H]+,20.0,test,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
536689,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1,345.2285,[M+H]+,60.0,test,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
536690,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1,345.2285,[M+H]+,30.0,test,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
536691,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1,345.2285,[M+H]+,20.0,test,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
536692,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1,345.2285,[M+H]+,60.0,test,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
536693,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1,345.2285,[M+H]+,30.0,test,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
536694,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1,345.2285,[M+H]+,20.0,test,CNC1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
536695,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,345.2285,[M+H]+,20.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536696,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,345.2285,[M+H]+,20.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536697,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,345.2285,[M+H]+,60.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536698,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,345.2285,[M+H]+,30.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536699,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,345.2285,[M+H]+,20.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536700,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,345.2285,[M+H]+,60.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536701,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,345.2285,[M+H]+,30.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536702,CC(C)C(=O)NC1CCCN(C(=O)c2c(N3CCCC3)nccc2)C1,345.2285,[M+H]+,20.0,test,CC(C)C(=O)NC1CCCN(C(=O)c2cccnc2N2CCCC2)C1
536703,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,345.2285,[M+H]+,20.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536704,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,345.2285,[M+H]+,20.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536705,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,345.2285,[M+H]+,60.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536706,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,345.2285,[M+H]+,30.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536707,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,345.2285,[M+H]+,20.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536708,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,345.2285,[M+H]+,60.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536709,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,345.2285,[M+H]+,30.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536710,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,345.2285,[M+H]+,20.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536711,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,367.21044,[M+Na]+,45.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536712,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,367.21044,[M+Na]+,20.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536713,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O,367.21044,[M+Na]+,45.0,test,Cn1nc(C2CC2)cc1CNC(=O)[C@H]1CCCC[C@H]1N1CCCC1=O
536714,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1,345.2285,[M+H]+,20.0,test,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1
536715,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1,345.2285,[M+H]+,20.0,test,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1
536716,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1,345.2285,[M+H]+,60.0,test,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1
536717,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1,345.2285,[M+H]+,20.0,test,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1
536718,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1,345.2285,[M+H]+,45.0,test,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1
536719,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1,345.2285,[M+H]+,60.0,test,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1
536720,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1,345.2285,[M+H]+,20.0,test,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1
536721,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1,345.2285,[M+H]+,45.0,test,CN1CCN(c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)c2)CC1
536722,O=C(Nc1cnc(OC2CCCC2)cc1)N1CCC(N2CCCC2)C1,345.2285,[M+H]+,20.0,test,O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC(N2CCCC2)C1
536723,O=C(Nc1cnc(OC2CCCC2)cc1)N1CCC(N2CCCC2)C1,345.2285,[M+H]+,20.0,test,O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC(N2CCCC2)C1
536724,O=C(Nc1cnc(OC2CCCC2)cc1)N1CCC(N2CCCC2)C1,345.2285,[M+H]+,60.0,test,O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC(N2CCCC2)C1
536725,O=C(Nc1cnc(OC2CCCC2)cc1)N1CCC(N2CCCC2)C1,345.2285,[M+H]+,15.0,test,O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC(N2CCCC2)C1
536726,O=C(Nc1cnc(OC2CCCC2)cc1)N1CCC(N2CCCC2)C1,345.2285,[M+H]+,20.0,test,O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC(N2CCCC2)C1
536727,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1,345.2285,[M+H]+,20.0,test,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1
536728,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1,345.2285,[M+H]+,20.0,test,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1
536729,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1,345.2285,[M+H]+,30.0,test,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1
536730,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1,345.2285,[M+H]+,60.0,test,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1
536731,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1,345.2285,[M+H]+,15.0,test,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1
536732,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1,345.2285,[M+H]+,20.0,test,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1
536733,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1,345.2285,[M+H]+,60.0,test,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1
536734,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1,345.2285,[M+H]+,20.0,test,Cc1noc(C2CCCCN2C(=O)NC2CC3CC2C2CCCC32)n1
536735,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,379.19063,[M+Cl]-,20.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536736,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,379.19063,[M+Cl]-,20.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536737,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,379.19063,[M+Cl]-,15.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536738,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1,345.2285,[M+H]+,20.0,test,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1
536739,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1,345.2285,[M+H]+,20.0,test,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1
536740,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1,345.2285,[M+H]+,60.0,test,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1
536741,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1,345.2285,[M+H]+,15.0,test,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1
536742,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1,345.2285,[M+H]+,20.0,test,CCCOc1ccc(CCC(=O)NC(Cn2nccn2)C(C)C)cc1
536743,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1,345.2285,[M+H]+,20.0,test,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1
536744,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1,345.2285,[M+H]+,20.0,test,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1
536745,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1,345.2285,[M+H]+,60.0,test,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1
536746,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1,345.2285,[M+H]+,20.0,test,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1
536747,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1,345.2285,[M+H]+,20.0,test,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1
536748,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1,345.2285,[M+H]+,60.0,test,CC(C)(C)c1ccc(N2CC3CN(C(=O)C4CCCO4)CC3C2)nn1
536749,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,345.2285,[M+H]+,20.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536750,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,345.2285,[M+H]+,20.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536751,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,345.2285,[M+H]+,30.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536752,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,345.2285,[M+H]+,60.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536753,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,345.2285,[M+H]+,15.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536754,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,345.2285,[M+H]+,20.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536755,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,345.2285,[M+H]+,60.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536756,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1,345.2285,[M+H]+,20.0,test,CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
536757,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,437.18641,[M+FA]-,20.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536758,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,437.18641,[M+FA]-,20.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536759,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,437.18641,[M+FA]-,60.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536760,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,437.18641,[M+FA]-,15.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536761,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,437.18641,[M+FA]-,20.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536762,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,393.19549,[M+H]+,20.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536763,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,393.19549,[M+H]+,20.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536764,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,393.19549,[M+H]+,60.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536765,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,393.19549,[M+H]+,30.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536766,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1,393.19549,[M+H]+,20.0,test,CCC(C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
536767,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,425.16756,[M+H]+,20.0,test,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12
536768,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,425.16756,[M+H]+,20.0,test,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12
536769,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,425.16756,[M+H]+,60.0,test,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12
536770,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,425.16756,[M+H]+,30.0,test,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12
536771,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,425.16756,[M+H]+,20.0,test,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12
536772,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,425.16756,[M+H]+,60.0,test,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12
536773,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,425.16756,[M+H]+,30.0,test,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12
536774,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,425.16756,[M+H]+,20.0,test,CCCCN(CCCC)C(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12
536775,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1,425.16756,[M+H]+,20.0,test,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1
536776,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1,425.16756,[M+H]+,20.0,test,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1
536777,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1,425.16756,[M+H]+,15.0,test,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1
536778,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1,425.16756,[M+H]+,60.0,test,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1
536779,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1,425.16756,[M+H]+,30.0,test,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1
536780,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1,425.16756,[M+H]+,20.0,test,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1
536781,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1,425.16756,[M+H]+,60.0,test,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1
536782,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1,425.16756,[M+H]+,20.0,test,CCCN(C)S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1
536783,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1,341.24482,[M+H]+,20.0,test,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1
536784,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1,341.24482,[M+H]+,20.0,test,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1
536785,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1,341.24482,[M+H]+,60.0,test,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1
536786,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1,341.24482,[M+H]+,30.0,test,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1
536787,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1,341.24482,[M+H]+,20.0,test,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1
536788,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1,341.24482,[M+H]+,60.0,test,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1
536789,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1,341.24482,[M+H]+,30.0,test,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1
536790,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1,341.24482,[M+H]+,20.0,test,Cc1cc(C)nc(N2C3CCC2CC(n2cc(C(C)(C)C)nn2)C3)n1
536791,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,431.15589,[M-H]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536792,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,431.15589,[M-H]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536793,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,431.15589,[M-H]-,60.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536794,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,431.15589,[M-H]-,30.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536795,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,431.15589,[M-H]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536796,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536797,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536798,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536799,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,15.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536800,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536801,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,431.15589,[M-H]-,20.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536802,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,431.15589,[M-H]-,20.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536803,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,431.15589,[M-H]-,60.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536804,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,431.15589,[M-H]-,30.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536805,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,431.15589,[M-H]-,20.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536806,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536807,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536808,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536809,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,15.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536810,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,477.16136,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536811,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536812,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536813,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,60.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536814,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,15.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536815,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
536816,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536817,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536818,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,60.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536819,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,15.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536820,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536821,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,60.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536822,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,15.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536823,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
536824,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536825,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536826,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,450.19698,[M+NH4]+,60.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536827,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,450.19698,[M+NH4]+,20.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536828,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,450.19698,[M+NH4]+,60.0,test,OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
536829,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1,353.19903,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1
536830,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1,353.19903,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1
536831,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1,353.19903,[M+H]+,60.0,test,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1
536832,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1,353.19903,[M+H]+,30.0,test,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1
536833,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1,353.19903,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1
536834,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1,353.19903,[M+H]+,45.0,test,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1
536835,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1,353.19903,[M+H]+,60.0,test,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1
536836,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1,353.19903,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)N1
536837,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12,328.24957,[M+H]+,20.0,test,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12
536838,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12,328.24957,[M+H]+,20.0,test,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12
536839,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12,328.24957,[M+H]+,60.0,test,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12
536840,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12,328.24957,[M+H]+,20.0,test,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12
536841,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12,328.24957,[M+H]+,45.0,test,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12
536842,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12,328.24957,[M+H]+,60.0,test,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12
536843,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12,328.24957,[M+H]+,20.0,test,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12
536844,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12,328.24957,[M+H]+,45.0,test,Cc1c(C)n(C2CCCC2)c2ncnc(N3CCCN(C)CC3)c12
536845,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,406.19184,[M-H]-,20.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536846,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,406.19184,[M-H]-,20.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536847,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,406.19184,[M-H]-,60.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536848,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,406.19184,[M-H]-,20.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536849,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,406.19184,[M-H]-,45.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536850,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,406.19184,[M-H]-,60.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536851,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,406.19184,[M-H]-,20.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536852,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,406.19184,[M-H]-,45.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536853,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,408.20639,[M+H]+,20.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536854,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,408.20639,[M+H]+,20.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536855,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,408.20639,[M+H]+,60.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536856,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,408.20639,[M+H]+,20.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536857,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,408.20639,[M+H]+,45.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536858,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,408.20639,[M+H]+,60.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536859,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,408.20639,[M+H]+,20.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536860,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1,408.20639,[M+H]+,45.0,test,Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1
536861,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536862,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536863,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,60.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536864,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,30.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536865,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536866,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,60.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536867,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,30.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536868,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536869,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536870,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536871,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,60.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536872,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,30.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536873,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536874,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,60.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536875,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,30.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536876,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1,303.24309,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)C2CCCN2CCC(C)C)c(C)c1
536877,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,329.23469,[M-H]-,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536878,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,329.23469,[M-H]-,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536879,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,329.23469,[M-H]-,60.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536880,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,329.23469,[M-H]-,30.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536881,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,329.23469,[M-H]-,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536882,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,375.24016,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536883,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,375.24016,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536884,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,375.24016,[M+FA]-,60.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536885,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,375.24016,[M+FA]-,15.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536886,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,375.24016,[M+FA]-,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536887,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,331.24924,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536888,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,331.24924,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536889,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,331.24924,[M+H]+,60.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536890,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,331.24924,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536891,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,331.24924,[M+H]+,45.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536892,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,331.24924,[M+H]+,60.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536893,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,331.24924,[M+H]+,20.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536894,Cc1nc(C)c(NC(=O)NCC2CCCN2C2CCCCC2)cc1,331.24924,[M+H]+,45.0,test,Cc1ccc(NC(=O)NCC2CCCN2C2CCCCC2)c(C)n1
536895,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C,331.24924,[M+H]+,20.0,test,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C
536896,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C,331.24924,[M+H]+,20.0,test,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C
536897,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C,331.24924,[M+H]+,60.0,test,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C
536898,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C,331.24924,[M+H]+,30.0,test,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C
536899,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C,331.24924,[M+H]+,20.0,test,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C
536900,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C,331.24924,[M+H]+,60.0,test,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C
536901,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C,331.24924,[M+H]+,30.0,test,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C
536902,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C,331.24924,[M+H]+,20.0,test,Cn1ccnc1C1N(C(=O)NCC(C)(C)C2=CCCC2)CC1(C)C
536903,O=C(CN1CCC(OCCO)CC1)Nc1cnc(N2CCCCC2)cc1,363.23907,[M+H]+,20.0,test,O=C(CN1CCC(OCCO)CC1)Nc1ccc(N2CCCCC2)nc1
536904,O=C(CN1CCC(OCCO)CC1)Nc1cnc(N2CCCCC2)cc1,363.23907,[M+H]+,20.0,test,O=C(CN1CCC(OCCO)CC1)Nc1ccc(N2CCCCC2)nc1
536905,O=C(CN1CCC(OCCO)CC1)Nc1cnc(N2CCCCC2)cc1,363.23907,[M+H]+,60.0,test,O=C(CN1CCC(OCCO)CC1)Nc1ccc(N2CCCCC2)nc1
536906,O=C(CN1CCC(OCCO)CC1)Nc1cnc(N2CCCCC2)cc1,363.23907,[M+H]+,20.0,test,O=C(CN1CCC(OCCO)CC1)Nc1ccc(N2CCCCC2)nc1
536907,O=C(CN1CCC(OCCO)CC1)Nc1cnc(N2CCCCC2)cc1,363.23907,[M+H]+,45.0,test,O=C(CN1CCC(OCCO)CC1)Nc1ccc(N2CCCCC2)nc1
536908,O=C(CN1CCC(OCCO)CC1)Nc1cnc(N2CCCCC2)cc1,363.23907,[M+H]+,60.0,test,O=C(CN1CCC(OCCO)CC1)Nc1ccc(N2CCCCC2)nc1
536909,O=C(CN1CCC(OCCO)CC1)Nc1cnc(N2CCCCC2)cc1,363.23907,[M+H]+,20.0,test,O=C(CN1CCC(OCCO)CC1)Nc1ccc(N2CCCCC2)nc1
536910,O=C(CN1CCC(OCCO)CC1)Nc1cnc(N2CCCCC2)cc1,363.23907,[M+H]+,45.0,test,O=C(CN1CCC(OCCO)CC1)Nc1ccc(N2CCCCC2)nc1
536911,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,20.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536912,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,20.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536913,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,60.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536914,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,15.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536915,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,20.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536916,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1,306.24275,[M+H]+,20.0,test,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1
536917,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1,306.24275,[M+H]+,20.0,test,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1
536918,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1,306.24275,[M+H]+,45.0,test,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1
536919,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1,306.24275,[M+H]+,60.0,test,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1
536920,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1,306.24275,[M+H]+,20.0,test,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1
536921,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1,306.24275,[M+H]+,60.0,test,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1
536922,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1,306.24275,[M+H]+,20.0,test,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1
536923,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1,306.24275,[M+H]+,45.0,test,Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1
536924,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,20.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536925,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,20.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536926,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,60.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536927,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,30.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536928,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1,306.24275,[M+H]+,20.0,test,COc1ccc(CNC2CC(C(C)C)OC(C(C)C)C2)cc1
536929,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1,306.24275,[M+H]+,20.0,test,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1
536930,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1,306.24275,[M+H]+,20.0,test,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1
536931,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1,306.24275,[M+H]+,45.0,test,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1
536932,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1,306.24275,[M+H]+,60.0,test,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1
536933,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1,306.24275,[M+H]+,20.0,test,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1
536934,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1,306.24275,[M+H]+,45.0,test,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1
536935,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1,306.24275,[M+H]+,60.0,test,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1
536936,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1,306.24275,[M+H]+,20.0,test,Cc1ccc(C(C)C)c(OCC(O)CNC2CCCCC2)c1
536937,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O,321.25365,[M+H]+,20.0,test,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O
536938,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O,321.25365,[M+H]+,20.0,test,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O
536939,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O,321.25365,[M+H]+,60.0,test,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O
536940,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O,321.25365,[M+H]+,20.0,test,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O
536941,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O,321.25365,[M+H]+,45.0,test,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O
536942,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O,321.25365,[M+H]+,60.0,test,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O
536943,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O,321.25365,[M+H]+,20.0,test,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O
536944,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O,321.25365,[M+H]+,45.0,test,CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCCC1O
536945,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536946,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536947,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,60.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536948,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536949,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,45.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536950,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536951,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536952,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,45.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536953,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,60.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536954,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536955,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,60.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536956,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,45.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536957,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1,321.25365,[M+H]+,20.0,test,CC1(C)CC(NC(=O)C2CC3CCCC(C2)C3=O)CC(C)(C)N1
536958,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,324.07785,[M-H]-,20.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536959,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,324.07785,[M-H]-,20.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536960,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,324.07785,[M-H]-,60.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536961,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,324.07785,[M-H]-,20.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536962,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,324.07785,[M-H]-,20.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536963,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,324.07785,[M-H]-,60.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536964,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,370.08333,[M+FA]-,20.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,370.08333,[M+FA]-,20.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536966,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,370.08333,[M+FA]-,60.0,test,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
536967,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1,342.08732,[M+H]+,20.0,test,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc21)c1ccco1
536968,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1,342.08732,[M+H]+,20.0,test,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc21)c1ccco1
536969,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1,342.08732,[M+H]+,60.0,test,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc21)c1ccco1
536970,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1,342.08732,[M+H]+,15.0,test,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc21)c1ccco1
536971,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1,342.08732,[M+H]+,20.0,test,O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc21)c1ccco1
536972,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,60.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536973,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,60.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536974,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,20.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536975,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,60.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536976,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,60.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536977,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,20.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536978,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,20.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536979,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,60.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536980,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,20.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536981,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,60.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536982,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,20.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536983,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,20.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536984,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,20.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536985,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,60.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536986,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,20.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536987,FC(F)(c1cc2cccnc2cc1)c1nnc2ccc(-c3ccncc3)nn12,375.11643,[M+H]+,60.0,test,FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12
536988,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,452.06752,[M-H]-,20.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536989,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,452.06752,[M-H]-,20.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536990,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,452.06752,[M-H]-,60.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536991,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,452.06752,[M-H]-,30.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536992,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,452.06752,[M-H]-,20.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536993,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,452.06752,[M-H]-,60.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536994,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,452.06752,[M-H]-,30.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536995,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,452.06752,[M-H]-,20.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536996,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,454.08207,[M+H]+,20.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536997,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,454.08207,[M+H]+,20.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536998,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,454.08207,[M+H]+,30.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
536999,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,454.08207,[M+H]+,60.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
537000,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,454.08207,[M+H]+,15.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
537001,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,454.08207,[M+H]+,20.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
537002,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,454.08207,[M+H]+,60.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
537003,O=C(O)c1cnc(C(=O)N[C@@H](c2cc(F)c(OC(F)(F)F)cc2)c2c(F)cccn2)cc1,454.08207,[M+H]+,20.0,test,O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1
537004,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,429.06385,[M-H]-,20.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537005,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,429.06385,[M-H]-,20.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537006,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,429.06385,[M-H]-,60.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537007,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,429.06385,[M-H]-,20.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537008,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,429.06385,[M-H]-,45.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537009,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,429.06385,[M-H]-,60.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537010,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,429.06385,[M-H]-,20.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537011,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,429.06385,[M-H]-,45.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537012,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,20.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537013,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,20.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537014,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,30.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537015,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,60.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537016,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,20.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537017,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,45.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537018,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,60.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537019,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,20.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537020,CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1,431.07841,[M+H]+,45.0,test,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
537021,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F,415.08349,[M+H]+,20.0,test,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F
537022,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F,415.08349,[M+H]+,20.0,test,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F
537023,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F,415.08349,[M+H]+,60.0,test,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F
537024,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F,415.08349,[M+H]+,30.0,test,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F
537025,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F,415.08349,[M+H]+,20.0,test,O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F
537026,COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(F)c(-c3ccccc3)c2)c(O)c(Cl)c1,452.01765,[M-H]-,20.0,test,COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
537027,COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(F)c(-c3ccccc3)c2)c(O)c(Cl)c1,452.01765,[M-H]-,20.0,test,COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
537028,COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(F)c(-c3ccccc3)c2)c(O)c(Cl)c1,452.01765,[M-H]-,60.0,test,COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
537029,COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(F)c(-c3ccccc3)c2)c(O)c(Cl)c1,452.01765,[M-H]-,20.0,test,COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
537030,COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(F)c(-c3ccccc3)c2)c(O)c(Cl)c1,452.01765,[M-H]-,45.0,test,COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
537031,COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(F)c(-c3ccccc3)c2)c(O)c(Cl)c1,452.01765,[M-H]-,60.0,test,COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
537032,COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(F)c(-c3ccccc3)c2)c(O)c(Cl)c1,452.01765,[M-H]-,20.0,test,COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
537033,COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(F)c(-c3ccccc3)c2)c(O)c(Cl)c1,452.01765,[M-H]-,45.0,test,COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
537034,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,347.11138,[M-H]-,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537035,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,347.11138,[M-H]-,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537036,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,347.11138,[M-H]-,60.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537037,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,347.11138,[M-H]-,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537038,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,347.11138,[M-H]-,60.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537039,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,347.11138,[M-H]-,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537040,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,383.08805,[M+Cl]-,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537041,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,383.08805,[M+Cl]-,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537042,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,383.08805,[M+Cl]-,60.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537043,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,383.08805,[M+Cl]-,15.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537044,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,383.08805,[M+Cl]-,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537045,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,349.12593,[M+H]+,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537046,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,349.12593,[M+H]+,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537047,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,349.12593,[M+H]+,60.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537048,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,349.12593,[M+H]+,20.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537049,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1,349.12593,[M+H]+,60.0,test,Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
537050,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,410.04387,[M-H]-,20.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537051,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,410.04387,[M-H]-,20.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537052,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,410.04387,[M-H]-,45.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537053,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,410.04387,[M-H]-,60.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537054,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,410.04387,[M-H]-,20.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537055,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,410.04387,[M-H]-,45.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537056,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,410.04387,[M-H]-,60.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537057,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,410.04387,[M-H]-,20.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537058,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,412.05842,[M+H]+,20.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537059,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,412.05842,[M+H]+,20.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537060,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,412.05842,[M+H]+,60.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537061,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,412.05842,[M+H]+,30.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537062,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,412.05842,[M+H]+,20.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537063,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,412.05842,[M+H]+,60.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537064,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,412.05842,[M+H]+,30.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537065,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1,412.05842,[M+H]+,20.0,test,O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1
537066,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,313.09825,[M-H]-,20.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537067,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,313.09825,[M-H]-,20.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537068,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,313.09825,[M-H]-,60.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537069,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,313.09825,[M-H]-,30.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537070,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,313.09825,[M-H]-,20.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537071,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,313.09825,[M-H]-,30.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537072,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,313.09825,[M-H]-,20.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537073,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,313.09825,[M-H]-,60.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537074,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,359.10373,[M+FA]-,15.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537075,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,359.10373,[M+FA]-,15.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537076,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,359.10373,[M+FA]-,20.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537077,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,359.10373,[M+FA]-,60.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537078,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,359.10373,[M+FA]-,15.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537079,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,313.09825,[M-H]-,20.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537080,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,313.09825,[M-H]-,20.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537081,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,313.09825,[M-H]-,60.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537082,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,313.09825,[M-H]-,20.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537083,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,313.09825,[M-H]-,60.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537084,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,313.09825,[M-H]-,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537085,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,313.09825,[M-H]-,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537086,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,313.09825,[M-H]-,45.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537087,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,313.09825,[M-H]-,60.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537088,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,313.09825,[M-H]-,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537089,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,313.09825,[M-H]-,45.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537090,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,313.09825,[M-H]-,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537091,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,313.09825,[M-H]-,60.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537092,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,349.07493,[M+Cl]-,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537093,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,349.07493,[M+Cl]-,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537094,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,349.07493,[M+Cl]-,60.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537095,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537096,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537097,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,315.1128,[M+H]+,60.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537098,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,315.1128,[M+H]+,30.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537099,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1
537100,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1,315.1128,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
537101,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1,315.1128,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
537102,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1,315.1128,[M+H]+,45.0,test,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
537103,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1,315.1128,[M+H]+,60.0,test,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
537104,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1,315.1128,[M+H]+,20.0,test,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
537105,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537106,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537107,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,315.1128,[M+H]+,60.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537108,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537109,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,315.1128,[M+H]+,60.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537110,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1
537111,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
537112,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
537113,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1,315.1128,[M+H]+,45.0,test,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
537114,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1,315.1128,[M+H]+,60.0,test,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
537115,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1,315.1128,[M+H]+,20.0,test,O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
537116,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,315.1128,[M+H]+,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537117,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,315.1128,[M+H]+,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537118,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,315.1128,[M+H]+,60.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537119,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,315.1128,[M+H]+,30.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537120,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,315.1128,[M+H]+,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537121,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,315.1128,[M+H]+,60.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537122,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,315.1128,[M+H]+,30.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537123,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1,315.1128,[M+H]+,20.0,test,O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
537124,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,300.103,[M-H]-,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537125,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,300.103,[M-H]-,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537126,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,300.103,[M-H]-,60.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537127,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,300.103,[M-H]-,30.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537128,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,300.103,[M-H]-,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537129,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,300.103,[M-H]-,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537130,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,300.103,[M-H]-,30.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537131,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,300.103,[M-H]-,60.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537132,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,346.10848,[M+FA]-,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537133,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,346.10848,[M+FA]-,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537134,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,346.10848,[M+FA]-,60.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537135,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,346.10848,[M+FA]-,30.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537136,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,346.10848,[M+FA]-,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537137,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,302.11755,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537138,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,302.11755,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537139,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,302.11755,[M+H]+,45.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537140,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,302.11755,[M+H]+,60.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537141,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,302.11755,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537142,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,302.11755,[M+H]+,60.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537143,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,302.11755,[M+H]+,45.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537144,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12,302.11755,[M+H]+,20.0,test,O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12
537145,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,334.10738,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
537146,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,334.10738,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
537147,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,334.10738,[M+H]+,45.0,test,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
537148,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,334.10738,[M+H]+,60.0,test,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
537149,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,334.10738,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
537150,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,334.10738,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
537151,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,334.10738,[M+H]+,45.0,test,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
537152,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,334.10738,[M+H]+,60.0,test,CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
537153,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cc(Br)ccc3)C(=O)C12,440.02514,[M-H]-,20.0,test,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)C12
537154,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cc(Br)ccc3)C(=O)C12,440.02514,[M-H]-,20.0,test,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)C12
537155,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cc(Br)ccc3)C(=O)C12,440.02514,[M-H]-,60.0,test,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)C12
537156,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cc(Br)ccc3)C(=O)C12,440.02514,[M-H]-,15.0,test,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)C12
537157,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cc(Br)ccc3)C(=O)C12,440.02514,[M-H]-,20.0,test,CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)C12
537158,CO/N=C/NC(=O)c1c(C)cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1,472.0448,[M-H]-,20.0,test,CO/N=C/NC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
537159,CO/N=C/NC(=O)c1c(C)cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1,472.0448,[M-H]-,20.0,test,CO/N=C/NC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
537160,CO/N=C/NC(=O)c1c(C)cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1,472.0448,[M-H]-,60.0,test,CO/N=C/NC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
537161,CO/N=C/NC(=O)c1c(C)cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1,472.0448,[M-H]-,30.0,test,CO/N=C/NC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
537162,CO/N=C/NC(=O)c1c(C)cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1,472.0448,[M-H]-,20.0,test,CO/N=C/NC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
537163,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1,423.09734,[M-H]-,20.0,test,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1
537164,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1,423.09734,[M-H]-,20.0,test,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1
537165,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1,423.09734,[M-H]-,60.0,test,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1
537166,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1,423.09734,[M-H]-,30.0,test,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1
537167,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1,423.09734,[M-H]-,20.0,test,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1
537168,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1,423.09734,[M-H]-,60.0,test,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1
537169,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1,423.09734,[M-H]-,30.0,test,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1
537170,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1,423.09734,[M-H]-,20.0,test,CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(C(C)=O)cc2)cc1
537171,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1,398.07916,[M+H]+,20.0,test,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1
537172,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1,398.07916,[M+H]+,20.0,test,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1
537173,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1,398.07916,[M+H]+,60.0,test,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1
537174,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1,398.07916,[M+H]+,15.0,test,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1
537175,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1,398.07916,[M+H]+,20.0,test,Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1
537176,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,20.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537177,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,20.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537178,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,60.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537179,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,20.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537180,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,45.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537181,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,60.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537182,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,20.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537183,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,45.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537184,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,315.1139,[M-H]-,20.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537185,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,315.1139,[M-H]-,20.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537186,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,315.1139,[M-H]-,30.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537187,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,315.1139,[M-H]-,20.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537188,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,315.1139,[M-H]-,20.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537189,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,315.1139,[M-H]-,20.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537190,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,315.1139,[M-H]-,45.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537191,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,315.1139,[M-H]-,60.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537192,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,315.1139,[M-H]-,20.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537193,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,315.1139,[M-H]-,20.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537194,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,315.1139,[M-H]-,45.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537195,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,315.1139,[M-H]-,60.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537196,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,315.1139,[M-H]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537197,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,315.1139,[M-H]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537198,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,315.1139,[M-H]-,45.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537199,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,315.1139,[M-H]-,60.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537200,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,315.1139,[M-H]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537201,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,315.1139,[M-H]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537202,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,315.1139,[M-H]-,45.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537203,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,315.1139,[M-H]-,60.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537204,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,351.09058,[M+Cl]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537205,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,351.09058,[M+Cl]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537206,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,361.11938,[M+FA]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537207,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,361.11938,[M+FA]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537208,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,361.11938,[M+FA]-,60.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537209,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,361.11938,[M+FA]-,15.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537210,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,361.11938,[M+FA]-,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537211,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,315.1139,[M-H]-,20.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537212,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,315.1139,[M-H]-,20.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537213,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,315.1139,[M-H]-,60.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537214,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,315.1139,[M-H]-,20.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537215,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,315.1139,[M-H]-,20.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537216,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,315.1139,[M-H]-,60.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537217,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,317.12845,[M+H]+,20.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537218,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,317.12845,[M+H]+,20.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537219,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,317.12845,[M+H]+,60.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537220,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,317.12845,[M+H]+,30.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537221,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,317.12845,[M+H]+,20.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537222,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,317.12845,[M+H]+,30.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537223,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,317.12845,[M+H]+,60.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537224,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,317.12845,[M+H]+,20.0,test,Cc1c(C#N)c(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1
537225,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,317.12845,[M+H]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537226,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,317.12845,[M+H]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537227,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,317.12845,[M+H]+,60.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537228,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,317.12845,[M+H]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537229,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,317.12845,[M+H]+,60.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537230,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1,317.12845,[M+H]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
537231,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,20.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537232,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,20.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537233,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,30.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537234,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,60.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537235,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,20.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537236,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,45.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537237,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,60.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537238,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1,317.12845,[M+H]+,20.0,test,CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1
537239,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,317.12845,[M+H]+,20.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537240,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,317.12845,[M+H]+,20.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537241,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,317.12845,[M+H]+,45.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537242,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,317.12845,[M+H]+,60.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537243,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,317.12845,[M+H]+,20.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537244,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,317.12845,[M+H]+,45.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537245,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,317.12845,[M+H]+,60.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537246,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1,317.12845,[M+H]+,20.0,test,O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1
537247,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,317.12845,[M+H]+,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537248,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,317.12845,[M+H]+,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537249,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,317.12845,[M+H]+,60.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537250,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,317.12845,[M+H]+,30.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537251,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,317.12845,[M+H]+,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537252,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,317.12845,[M+H]+,60.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537253,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,317.12845,[M+H]+,30.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537254,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1,317.12845,[M+H]+,20.0,test,Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1
537255,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1,317.12845,[M+H]+,20.0,test,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1
537256,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1,317.12845,[M+H]+,20.0,test,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1
537257,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1,317.12845,[M+H]+,60.0,test,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1
537258,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1,317.12845,[M+H]+,20.0,test,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1
537259,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1,317.12845,[M+H]+,60.0,test,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1
537260,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1,317.12845,[M+H]+,20.0,test,Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c(C)c1
537261,Oc1c(-c2c(-c3ccco3)[nH]nc2)cc(OCc2ccccc2)cc1,333.12337,[M+H]+,20.0,test,Oc1ccc(OCc2ccccc2)cc1-c1cn[nH]c1-c1ccco1
537262,Oc1c(-c2c(-c3ccco3)[nH]nc2)cc(OCc2ccccc2)cc1,333.12337,[M+H]+,20.0,test,Oc1ccc(OCc2ccccc2)cc1-c1cn[nH]c1-c1ccco1
537263,Oc1c(-c2c(-c3ccco3)[nH]nc2)cc(OCc2ccccc2)cc1,333.12337,[M+H]+,60.0,test,Oc1ccc(OCc2ccccc2)cc1-c1cn[nH]c1-c1ccco1
537264,Oc1c(-c2c(-c3ccco3)[nH]nc2)cc(OCc2ccccc2)cc1,333.12337,[M+H]+,20.0,test,Oc1ccc(OCc2ccccc2)cc1-c1cn[nH]c1-c1ccco1
537265,Oc1c(-c2c(-c3ccco3)[nH]nc2)cc(OCc2ccccc2)cc1,333.12337,[M+H]+,45.0,test,Oc1ccc(OCc2ccccc2)cc1-c1cn[nH]c1-c1ccco1
537266,NNC(=O)CSc1nc2c(c(-c3ccccc3)cs2)c(=O)n1-c1ccccc1,409.07874,[M+H]+,20.0,test,NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
537267,NNC(=O)CSc1nc2c(c(-c3ccccc3)cs2)c(=O)n1-c1ccccc1,409.07874,[M+H]+,20.0,test,NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
537268,NNC(=O)CSc1nc2c(c(-c3ccccc3)cs2)c(=O)n1-c1ccccc1,409.07874,[M+H]+,60.0,test,NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
537269,NNC(=O)CSc1nc2c(c(-c3ccccc3)cs2)c(=O)n1-c1ccccc1,409.07874,[M+H]+,15.0,test,NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
537270,NNC(=O)CSc1nc2c(c(-c3ccccc3)cs2)c(=O)n1-c1ccccc1,409.07874,[M+H]+,20.0,test,NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
537271,NNC(=O)CSc1nc2c(c(-c3ccccc3)cs2)c(=O)n1-c1ccccc1,409.07874,[M+H]+,60.0,test,NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
537272,NNC(=O)CSc1nc2c(c(-c3ccccc3)cs2)c(=O)n1-c1ccccc1,409.07874,[M+H]+,15.0,test,NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
537273,NNC(=O)CSc1nc2c(c(-c3ccccc3)cs2)c(=O)n1-c1ccccc1,409.07874,[M+H]+,20.0,test,NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
537274,Cn1cc(-c2nn3c(Cc4cc5c(cc4)nccc5)cnc3cc2)cn1,341.15092,[M+H]+,20.0,test,Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1
537275,Cn1cc(-c2nn3c(Cc4cc5c(cc4)nccc5)cnc3cc2)cn1,341.15092,[M+H]+,20.0,test,Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1
537276,Cn1cc(-c2nn3c(Cc4cc5c(cc4)nccc5)cnc3cc2)cn1,341.15092,[M+H]+,60.0,test,Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1
537277,Cn1cc(-c2nn3c(Cc4cc5c(cc4)nccc5)cnc3cc2)cn1,341.15092,[M+H]+,20.0,test,Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1
537278,Cn1cc(-c2nn3c(Cc4cc5c(cc4)nccc5)cnc3cc2)cn1,341.15092,[M+H]+,60.0,test,Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1
537279,Cn1cc(-c2nn3c(Cc4cc5c(cc4)nccc5)cnc3cc2)cn1,341.15092,[M+H]+,20.0,test,Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1
537280,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1,341.15092,[M+H]+,20.0,test,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1
537281,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1,341.15092,[M+H]+,20.0,test,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1
537282,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1,341.15092,[M+H]+,45.0,test,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1
537283,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1,341.15092,[M+H]+,60.0,test,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1
537284,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1,341.15092,[M+H]+,20.0,test,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1
537285,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1,341.15092,[M+H]+,60.0,test,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1
537286,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1,341.15092,[M+H]+,45.0,test,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1
537287,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1,341.15092,[M+H]+,20.0,test,c1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)nc1
537288,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,403.09827,[M-H]-,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537289,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,403.09827,[M-H]-,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537290,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,403.09827,[M-H]-,60.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537291,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,403.09827,[M-H]-,30.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537292,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,403.09827,[M-H]-,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537293,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,449.10375,[M+FA]-,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537294,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,449.10375,[M+FA]-,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537295,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,449.10375,[M+FA]-,60.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537296,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,449.10375,[M+FA]-,15.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537297,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,449.10375,[M+FA]-,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537298,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,403.09827,[M-H]-,45.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537299,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,403.09827,[M-H]-,45.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537300,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,403.09827,[M-H]-,20.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537301,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,403.09827,[M-H]-,60.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537302,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,403.09827,[M-H]-,45.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537303,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,405.11282,[M+H]+,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537304,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,405.11282,[M+H]+,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537305,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,405.11282,[M+H]+,60.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537306,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,405.11282,[M+H]+,15.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537307,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,405.11282,[M+H]+,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537308,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,405.11282,[M+H]+,60.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537309,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,405.11282,[M+H]+,15.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537310,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,405.11282,[M+H]+,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537311,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,427.09476,[M+Na]+,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537312,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1,427.09476,[M+Na]+,20.0,test,Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1
537313,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,405.11282,[M+H]+,20.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537314,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,405.11282,[M+H]+,20.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537315,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,405.11282,[M+H]+,60.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537316,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,405.11282,[M+H]+,30.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537317,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,405.11282,[M+H]+,20.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537318,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,405.11282,[M+H]+,60.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537319,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,405.11282,[M+H]+,30.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537320,Cc1c(-c2cc3c(cc2)NC(=O)CC3)nc(NC(=O)c2nccn3ccnc23)s1,405.11282,[M+H]+,20.0,test,Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2
537321,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O,337.08929,[M+H]+,20.0,test,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O
537322,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O,337.08929,[M+H]+,20.0,test,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O
537323,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O,337.08929,[M+H]+,60.0,test,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O
537324,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O,337.08929,[M+H]+,15.0,test,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O
537325,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O,337.08929,[M+H]+,20.0,test,CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O
537326,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,453.06691,[M+H]+,20.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537327,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,453.06691,[M+H]+,20.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537328,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,453.06691,[M+H]+,60.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537329,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,453.06691,[M+H]+,20.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537330,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,453.06691,[M+H]+,45.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537331,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,453.06691,[M+H]+,20.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537332,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,453.06691,[M+H]+,20.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537333,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,453.06691,[M+H]+,45.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537334,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,453.06691,[M+H]+,60.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537335,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,453.06691,[M+H]+,20.0,test,CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
537336,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,484.08095,[M-H]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537337,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,484.08095,[M-H]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537338,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,484.08095,[M-H]-,60.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537339,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,484.08095,[M-H]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537340,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,484.08095,[M-H]-,45.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537341,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,520.05763,[M+Cl]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537342,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,520.05763,[M+Cl]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537343,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,520.05763,[M+Cl]-,60.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537344,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,520.05763,[M+Cl]-,15.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537345,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,520.05763,[M+Cl]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537346,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,530.08643,[M+FA]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537347,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,530.08643,[M+FA]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537348,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,530.08643,[M+FA]-,60.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537349,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,530.08643,[M+FA]-,15.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537350,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,530.08643,[M+FA]-,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537351,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,486.0955,[M+H]+,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537352,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,486.0955,[M+H]+,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537353,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,486.0955,[M+H]+,60.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537354,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,486.0955,[M+H]+,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537355,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,486.0955,[M+H]+,45.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537356,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,486.0955,[M+H]+,60.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537357,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,486.0955,[M+H]+,20.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537358,Nc1c([N+](=O)[O-])ccc(NCCNc2ncc(-n3ccnc3)c(-c3c(Cl)cc(Cl)cc3)n2)n1,486.0955,[M+H]+,45.0,test,Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
537359,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2,402.08376,[M+H]+,20.0,test,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2
537360,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2,402.08376,[M+H]+,20.0,test,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2
537361,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2,402.08376,[M+H]+,45.0,test,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2
537362,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2,402.08376,[M+H]+,60.0,test,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2
537363,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2,402.08376,[M+H]+,20.0,test,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2
537364,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2,402.08376,[M+H]+,45.0,test,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2
537365,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2,402.08376,[M+H]+,60.0,test,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2
537366,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2,402.08376,[M+H]+,20.0,test,O=c1nc(SCc2c(F)cccc2Cl)c2c(n1Cc1ccccn1)CCC2
537367,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,351.09058,[M-H]-,20.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537368,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,351.09058,[M-H]-,20.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537369,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,351.09058,[M-H]-,60.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537370,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,351.09058,[M-H]-,30.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537371,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,351.09058,[M-H]-,20.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537372,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,353.10513,[M+H]+,20.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537373,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,353.10513,[M+H]+,20.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537374,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,353.10513,[M+H]+,60.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537375,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,353.10513,[M+H]+,30.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537376,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,353.10513,[M+H]+,20.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537377,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,353.10513,[M+H]+,60.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537378,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,353.10513,[M+H]+,30.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537379,O=C(NC1CC(c2cc(Cl)ccc2)C1)c1cc2ccccc2c(=O)[nH]1,353.10513,[M+H]+,20.0,test,O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(=O)[nH]1
537380,NS(=O)(=O)c1c(Oc2cc(Cl)ccc2)ccc(NC(=O)Cc2ccccc2)c1,415.05248,[M-H]-,20.0,test,NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
537381,NS(=O)(=O)c1c(Oc2cc(Cl)ccc2)ccc(NC(=O)Cc2ccccc2)c1,415.05248,[M-H]-,20.0,test,NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
537382,NS(=O)(=O)c1c(Oc2cc(Cl)ccc2)ccc(NC(=O)Cc2ccccc2)c1,415.05248,[M-H]-,60.0,test,NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
537383,NS(=O)(=O)c1c(Oc2cc(Cl)ccc2)ccc(NC(=O)Cc2ccccc2)c1,415.05248,[M-H]-,30.0,test,NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
537384,NS(=O)(=O)c1c(Oc2cc(Cl)ccc2)ccc(NC(=O)Cc2ccccc2)c1,415.05248,[M-H]-,20.0,test,NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
537385,NS(=O)(=O)c1c(Oc2cc(Cl)ccc2)ccc(NC(=O)Cc2ccccc2)c1,461.05796,[M+FA]-,20.0,test,NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
537386,NS(=O)(=O)c1c(Oc2cc(Cl)ccc2)ccc(NC(=O)Cc2ccccc2)c1,461.05796,[M+FA]-,20.0,test,NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
537387,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,415.05248,[M-H]-,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537388,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,415.05248,[M-H]-,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537389,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,415.05248,[M-H]-,60.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537390,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,415.05248,[M-H]-,30.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537391,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,415.05248,[M-H]-,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537392,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,417.06703,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537393,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,417.06703,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537394,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,417.06703,[M+H]+,30.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537395,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,417.06703,[M+H]+,60.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537396,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,417.06703,[M+H]+,15.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537397,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,417.06703,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537398,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,417.06703,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537399,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1,417.06703,[M+H]+,60.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1
537400,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,415.14887,[M+H]+,20.0,test,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1
537401,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,415.14887,[M+H]+,20.0,test,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1
537402,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,415.14887,[M+H]+,45.0,test,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1
537403,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,415.14887,[M+H]+,60.0,test,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1
537404,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,415.14887,[M+H]+,20.0,test,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1
537405,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,415.14887,[M+H]+,60.0,test,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1
537406,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,415.14887,[M+H]+,45.0,test,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1
537407,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,415.14887,[M+H]+,20.0,test,O=C(c1cnc2ccccc2n1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1
537408,COc1c(S(=O)(=O)N2CCc3c2ccc(-c2ccncc2)c3)cc(F)cc1,385.10167,[M+H]+,20.0,test,COc1ccc(F)cc1S(=O)(=O)N1CCc2cc(-c3ccncc3)ccc21
537409,COc1c(S(=O)(=O)N2CCc3c2ccc(-c2ccncc2)c3)cc(F)cc1,385.10167,[M+H]+,20.0,test,COc1ccc(F)cc1S(=O)(=O)N1CCc2cc(-c3ccncc3)ccc21
537410,COc1c(S(=O)(=O)N2CCc3c2ccc(-c2ccncc2)c3)cc(F)cc1,385.10167,[M+H]+,60.0,test,COc1ccc(F)cc1S(=O)(=O)N1CCc2cc(-c3ccncc3)ccc21
537411,COc1c(S(=O)(=O)N2CCc3c2ccc(-c2ccncc2)c3)cc(F)cc1,385.10167,[M+H]+,20.0,test,COc1ccc(F)cc1S(=O)(=O)N1CCc2cc(-c3ccncc3)ccc21
537412,COc1c(S(=O)(=O)N2CCc3c2ccc(-c2ccncc2)c3)cc(F)cc1,385.10167,[M+H]+,45.0,test,COc1ccc(F)cc1S(=O)(=O)N1CCc2cc(-c3ccncc3)ccc21
537413,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,363.12628,[M-H]-,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537414,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,363.12628,[M-H]-,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537415,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,363.12628,[M-H]-,60.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537416,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,363.12628,[M-H]-,30.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537417,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,363.12628,[M-H]-,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537418,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,363.12628,[M-H]-,60.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537419,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,363.12628,[M-H]-,30.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537420,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,363.12628,[M-H]-,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537421,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,365.14083,[M+H]+,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537422,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,365.14083,[M+H]+,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537423,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,365.14083,[M+H]+,60.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537424,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,365.14083,[M+H]+,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537425,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cc2c(cc1)CCNC2=O,365.14083,[M+H]+,45.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537426,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,363.12628,[M-H]-,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537427,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,363.12628,[M-H]-,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537428,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,363.12628,[M-H]-,45.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537429,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,363.12628,[M-H]-,60.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537430,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,363.12628,[M-H]-,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537431,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,363.12628,[M-H]-,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537432,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,363.12628,[M-H]-,45.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537433,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,363.12628,[M-H]-,60.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537434,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,365.14083,[M+H]+,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537435,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,365.14083,[M+H]+,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537436,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,365.14083,[M+H]+,45.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537437,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,365.14083,[M+H]+,60.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537438,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,365.14083,[M+H]+,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537439,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,365.14083,[M+H]+,60.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537440,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,365.14083,[M+H]+,45.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537441,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2,365.14083,[M+H]+,20.0,test,Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
537442,O=C1c2c(cc3c(=O)n(CCc4cc(F)ccc4)nnc3c2)OCN1C1CC1,381.13574,[M+H]+,20.0,test,O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2OCN1C1CC1
537443,O=C1c2c(cc3c(=O)n(CCc4cc(F)ccc4)nnc3c2)OCN1C1CC1,381.13574,[M+H]+,20.0,test,O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2OCN1C1CC1
537444,O=C1c2c(cc3c(=O)n(CCc4cc(F)ccc4)nnc3c2)OCN1C1CC1,381.13574,[M+H]+,60.0,test,O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2OCN1C1CC1
537445,O=C1c2c(cc3c(=O)n(CCc4cc(F)ccc4)nnc3c2)OCN1C1CC1,381.13574,[M+H]+,30.0,test,O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2OCN1C1CC1
537446,O=C1c2c(cc3c(=O)n(CCc4cc(F)ccc4)nnc3c2)OCN1C1CC1,381.13574,[M+H]+,20.0,test,O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2OCN1C1CC1
537447,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,418.13009,[M+Cl]-,15.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537448,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,418.13009,[M+Cl]-,60.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537449,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,428.15889,[M+FA]-,20.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537450,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,428.15889,[M+FA]-,20.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537451,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,428.15889,[M+FA]-,60.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537452,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,428.15889,[M+FA]-,15.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537453,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,428.15889,[M+FA]-,20.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537454,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,384.16797,[M+H]+,20.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537455,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,384.16797,[M+H]+,20.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537456,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,384.16797,[M+H]+,60.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537457,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,384.16797,[M+H]+,20.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537458,Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3)n2)cn1,384.16797,[M+H]+,45.0,test,Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)cn1
537459,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,463.04039,[M-H]-,20.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537460,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,463.04039,[M-H]-,20.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537461,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,463.04039,[M-H]-,60.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537462,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,463.04039,[M-H]-,15.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537463,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,463.04039,[M-H]-,20.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537464,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,465.05494,[M+H]+,20.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537465,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,465.05494,[M+H]+,20.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537466,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,465.05494,[M+H]+,60.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537467,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,465.05494,[M+H]+,30.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537468,COc1c(OCc2c(Cl)cc(Cl)cc2)ccc(/C=N/NC(=O)c2c(C)nc(N)s2)c1,465.05494,[M+H]+,20.0,test,COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl
537469,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537470,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537471,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537472,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537473,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537474,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537475,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537476,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537477,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537478,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537479,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537480,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,15.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537481,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537482,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,15.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537483,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,15.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537484,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537485,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537486,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,15.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537487,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537488,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537489,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537490,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537491,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537492,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537493,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537494,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537495,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537496,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537497,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537498,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537499,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537500,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537501,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537502,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537503,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537504,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537505,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537506,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,15.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537507,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537508,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537509,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537510,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537511,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,15.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537512,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537513,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537514,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537515,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537516,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537517,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537518,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537519,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537520,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,448.09935,[M-H]-,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537521,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537522,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537523,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537524,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,15.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537525,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,484.07603,[M+Cl]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537526,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537527,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537528,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537529,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,15.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537530,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,494.10483,[M+FA]-,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537531,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537532,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537533,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537534,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537535,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537536,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537537,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537538,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537539,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537540,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537541,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537542,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537543,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537544,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,60.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537545,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,20.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537546,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2ccn[nH]2)c(N2CC[C@@H](O)C2)nc1,450.1139,[M+H]+,45.0,test,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
537547,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,382.09639,[M-H]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537548,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,382.09639,[M-H]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537549,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,382.09639,[M-H]-,60.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537550,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,382.09639,[M-H]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537551,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,382.09639,[M-H]-,45.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537552,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,382.09639,[M-H]-,60.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537553,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,382.09639,[M-H]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537554,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,382.09639,[M-H]-,45.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537555,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,418.07307,[M+Cl]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537556,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,418.07307,[M+Cl]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537557,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,418.07307,[M+Cl]-,60.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537558,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,418.07307,[M+Cl]-,15.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537559,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,418.07307,[M+Cl]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537560,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,428.10187,[M+FA]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537561,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,428.10187,[M+FA]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537562,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,428.10187,[M+FA]-,60.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537563,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,428.10187,[M+FA]-,15.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537564,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,428.10187,[M+FA]-,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537565,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,384.11095,[M+H]+,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537566,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,384.11095,[M+H]+,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537567,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,384.11095,[M+H]+,60.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537568,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,384.11095,[M+H]+,15.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537569,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,384.11095,[M+H]+,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537570,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,401.13749,[M+NH4]+,15.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537571,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,401.13749,[M+NH4]+,15.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537572,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,401.13749,[M+NH4]+,20.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537573,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,401.13749,[M+NH4]+,60.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537574,CC(NC(=O)c1cc2c(ccc(Cl)c2)[nH]1)c1cc(N2CCOC2=O)ccc1,401.13749,[M+NH4]+,15.0,test,CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
537575,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,382.09639,[M-H]-,20.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537576,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,382.09639,[M-H]-,20.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537577,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,382.09639,[M-H]-,60.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537578,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,382.09639,[M-H]-,15.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537579,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,382.09639,[M-H]-,20.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537580,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,384.11095,[M+H]+,20.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537581,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,384.11095,[M+H]+,20.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537582,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,384.11095,[M+H]+,60.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537583,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,384.11095,[M+H]+,15.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537584,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1,384.11095,[M+H]+,20.0,test,Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1
537585,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,382.09639,[M-H]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537586,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,382.09639,[M-H]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537587,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,382.09639,[M-H]-,60.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537588,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,382.09639,[M-H]-,30.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537589,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,382.09639,[M-H]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537590,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,382.09639,[M-H]-,30.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537591,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,382.09639,[M-H]-,60.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537592,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,382.09639,[M-H]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537593,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,418.07307,[M+Cl]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537594,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,418.07307,[M+Cl]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537595,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,418.07307,[M+Cl]-,60.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537596,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,418.07307,[M+Cl]-,15.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537597,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,418.07307,[M+Cl]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537598,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,428.10187,[M+FA]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537599,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,428.10187,[M+FA]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537600,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,428.10187,[M+FA]-,60.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537601,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,428.10187,[M+FA]-,15.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537602,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,428.10187,[M+FA]-,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537603,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,382.09639,[M-H]-,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537604,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,382.09639,[M-H]-,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537605,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,382.09639,[M-H]-,60.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537606,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,382.09639,[M-H]-,30.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537607,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,382.09639,[M-H]-,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537608,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,382.09639,[M-H]-,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537609,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,382.09639,[M-H]-,30.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537610,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,382.09639,[M-H]-,60.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537611,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,418.07307,[M+Cl]-,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537612,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,418.07307,[M+Cl]-,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537613,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,418.07307,[M+Cl]-,60.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537614,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,418.07307,[M+Cl]-,15.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537615,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,418.07307,[M+Cl]-,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537616,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,384.11095,[M+H]+,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537617,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,384.11095,[M+H]+,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537618,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,384.11095,[M+H]+,45.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537619,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,384.11095,[M+H]+,60.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537620,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,384.11095,[M+H]+,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537621,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,384.11095,[M+H]+,60.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537622,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,384.11095,[M+H]+,45.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537623,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1,384.11095,[M+H]+,20.0,test,CCOc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1
537624,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537625,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537626,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,30.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537627,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,60.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537628,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537629,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,45.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537630,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,30.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537631,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,60.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537632,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl,384.11095,[M+H]+,20.0,test,COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl
537633,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,399.12742,[M-H]-,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537634,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,399.12742,[M-H]-,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537635,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,399.12742,[M-H]-,60.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537636,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,399.12742,[M-H]-,30.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537637,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,399.12742,[M-H]-,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537638,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,399.12742,[M-H]-,30.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537639,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,399.12742,[M-H]-,60.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537640,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,399.12742,[M-H]-,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537641,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,435.1041,[M+Cl]-,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537642,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,435.1041,[M+Cl]-,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537643,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,435.1041,[M+Cl]-,60.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537644,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,435.1041,[M+Cl]-,15.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537645,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,435.1041,[M+Cl]-,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537646,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,435.1041,[M+Cl]-,60.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537647,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,435.1041,[M+Cl]-,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537648,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,435.1041,[M+Cl]-,15.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537649,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,401.14197,[M+H]+,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537650,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,401.14197,[M+H]+,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537651,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,401.14197,[M+H]+,60.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537652,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,401.14197,[M+H]+,30.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537653,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,401.14197,[M+H]+,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537654,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,401.14197,[M+H]+,60.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537655,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,401.14197,[M+H]+,30.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537656,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F,401.14197,[M+H]+,20.0,test,O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F
537657,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,338.1198,[M-H]-,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537658,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,338.1198,[M-H]-,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537659,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,338.1198,[M-H]-,30.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537660,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,338.1198,[M-H]-,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537661,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,384.12527,[M+FA]-,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537662,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,384.12527,[M+FA]-,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537663,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,384.12527,[M+FA]-,60.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537664,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,384.12527,[M+FA]-,15.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537665,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,384.12527,[M+FA]-,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537666,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,340.13435,[M+H]+,20.0,test,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
537667,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,340.13435,[M+H]+,20.0,test,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
537668,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,340.13435,[M+H]+,60.0,test,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
537669,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,340.13435,[M+H]+,30.0,test,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
537670,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,340.13435,[M+H]+,20.0,test,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
537671,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,340.13435,[M+H]+,60.0,test,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
537672,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,340.13435,[M+H]+,30.0,test,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
537673,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,340.13435,[M+H]+,20.0,test,Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
537674,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21,340.13435,[M+H]+,20.0,test,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21
537675,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21,340.13435,[M+H]+,20.0,test,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21
537676,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21,340.13435,[M+H]+,45.0,test,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21
537677,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21,340.13435,[M+H]+,60.0,test,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21
537678,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21,340.13435,[M+H]+,20.0,test,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21
537679,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21,340.13435,[M+H]+,20.0,test,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21
537680,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21,340.13435,[M+H]+,45.0,test,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21
537681,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21,340.13435,[M+H]+,60.0,test,COCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21
537682,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,340.13435,[M+H]+,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537683,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,340.13435,[M+H]+,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537684,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,340.13435,[M+H]+,60.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537685,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,340.13435,[M+H]+,15.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537686,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,340.13435,[M+H]+,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537687,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,340.13435,[M+H]+,20.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537688,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,340.13435,[M+H]+,15.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537689,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C,340.13435,[M+H]+,60.0,test,Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C
537690,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,381.09145,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537691,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,381.09145,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537692,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,381.09145,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537693,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,381.09145,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537694,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,381.09145,[M-H]-,45.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537695,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,381.09145,[M-H]-,60.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537696,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,381.09145,[M-H]-,20.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537697,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,381.09145,[M-H]-,45.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537698,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,383.106,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537699,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,383.106,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537700,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,383.106,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537701,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,383.106,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537702,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1,383.106,[M+H]+,45.0,test,COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1
537703,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12,383.106,[M+H]+,20.0,test,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12
537704,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12,383.106,[M+H]+,20.0,test,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12
537705,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12,383.106,[M+H]+,60.0,test,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12
537706,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12,383.106,[M+H]+,15.0,test,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12
537707,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12,383.106,[M+H]+,20.0,test,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12
537708,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12,383.106,[M+H]+,60.0,test,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12
537709,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12,383.106,[M+H]+,15.0,test,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12
537710,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12,383.106,[M+H]+,20.0,test,COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12
537711,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,329.14078,[M-H]-,20.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537712,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,329.14078,[M-H]-,20.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537713,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,329.14078,[M-H]-,60.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537714,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,329.14078,[M-H]-,60.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537715,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,329.14078,[M-H]-,20.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537716,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,329.14078,[M-H]-,20.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537717,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,329.14078,[M-H]-,60.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537718,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,329.14078,[M-H]-,30.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537719,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,329.14078,[M-H]-,20.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537720,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,331.15534,[M+H]+,20.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537721,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,331.15534,[M+H]+,20.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537722,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,331.15534,[M+H]+,60.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537723,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,331.15534,[M+H]+,20.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537724,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,331.15534,[M+H]+,60.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537725,CCc1c(-c2ccc(O)cc2)c(N)ncc1-c1cc2c(cc1)[nH]nc2,331.15534,[M+H]+,20.0,test,CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1
537726,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,331.15534,[M+H]+,20.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537727,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,331.15534,[M+H]+,20.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537728,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,331.15534,[M+H]+,60.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537729,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,331.15534,[M+H]+,30.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537730,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,331.15534,[M+H]+,20.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537731,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,331.15534,[M+H]+,60.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537732,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,331.15534,[M+H]+,30.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537733,C[C@@H](Nc1c2cc(-c3ccc(O)cc3)[nH]c2ncn1)c1ccccc1,331.15534,[M+H]+,20.0,test,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
537734,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,365.11746,[M+Cl]-,20.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537735,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,365.11746,[M+Cl]-,20.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537736,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,365.11746,[M+Cl]-,60.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537737,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,365.11746,[M+Cl]-,15.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537738,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,365.11746,[M+Cl]-,20.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537739,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1,331.15534,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1
537740,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1,331.15534,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1
537741,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1,331.15534,[M+H]+,45.0,test,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1
537742,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1,331.15534,[M+H]+,60.0,test,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1
537743,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1,331.15534,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1
537744,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1,331.15534,[M+H]+,60.0,test,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1
537745,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1,331.15534,[M+H]+,45.0,test,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1
537746,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1,331.15534,[M+H]+,20.0,test,c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1
537747,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,331.15534,[M+H]+,20.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537748,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,331.15534,[M+H]+,20.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537749,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,331.15534,[M+H]+,60.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537750,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,331.15534,[M+H]+,20.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537751,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,331.15534,[M+H]+,60.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537752,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21,331.15534,[M+H]+,20.0,test,CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
537753,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1,343.16657,[M+H]+,20.0,test,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1
537754,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1,343.16657,[M+H]+,20.0,test,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1
537755,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1,343.16657,[M+H]+,60.0,test,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1
537756,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1,343.16657,[M+H]+,20.0,test,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1
537757,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1,343.16657,[M+H]+,45.0,test,c1ccc(-n2ncc3c(N4CCC(c5ccccn5)C4)ncnc32)cc1
537758,Cc1ccc(-c2c(-c3ccc(C)cc3)nc3c(N)nnc(N)c3n2)cc1,343.16657,[M+H]+,20.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537759,Cc1ccc(-c2c(-c3ccc(C)cc3)nc3c(N)nnc(N)c3n2)cc1,343.16657,[M+H]+,20.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537760,Cc1ccc(-c2c(-c3ccc(C)cc3)nc3c(N)nnc(N)c3n2)cc1,343.16657,[M+H]+,60.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537761,Cc1ccc(-c2c(-c3ccc(C)cc3)nc3c(N)nnc(N)c3n2)cc1,343.16657,[M+H]+,20.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537762,Cc1ccc(-c2c(-c3ccc(C)cc3)nc3c(N)nnc(N)c3n2)cc1,343.16657,[M+H]+,75.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537763,Cc1ccc(-c2c(-c3ccc(C)cc3)nc3c(N)nnc(N)c3n2)cc1,343.16657,[M+H]+,60.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537764,Cc1ccc(-c2c(-c3ccc(C)cc3)nc3c(N)nnc(N)c3n2)cc1,343.16657,[M+H]+,20.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537765,Cc1ccc(-c2c(-c3ccc(C)cc3)nc3c(N)nnc(N)c3n2)cc1,343.16657,[M+H]+,75.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537766,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1,343.16657,[M+H]+,20.0,test,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1
537767,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1,343.16657,[M+H]+,20.0,test,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1
537768,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1,343.16657,[M+H]+,45.0,test,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1
537769,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1,343.16657,[M+H]+,60.0,test,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1
537770,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1,343.16657,[M+H]+,20.0,test,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1
537771,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1,343.16657,[M+H]+,45.0,test,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1
537772,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1,343.16657,[M+H]+,60.0,test,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1
537773,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1,343.16657,[M+H]+,20.0,test,c1ccc(Cn2nnc3c(N4CCCc5ccccc54)ncnc32)cc1
537774,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1,343.16657,[M+H]+,20.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537775,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1,343.16657,[M+H]+,20.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537776,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1,343.16657,[M+H]+,75.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537777,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1,343.16657,[M+H]+,60.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537778,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1,343.16657,[M+H]+,20.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537779,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1,343.16657,[M+H]+,60.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537780,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1,343.16657,[M+H]+,75.0,test,Cc1ccc(-c2nc3c(N)nnc(N)c3nc2-c2ccc(C)cc2)cc1
537781,COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)OC,419.09727,[M+H]+,20.0,test,COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2
537782,COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)OC,419.09727,[M+H]+,20.0,test,COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2
537783,COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)OC,419.09727,[M+H]+,60.0,test,COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2
537784,COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)OC,419.09727,[M+H]+,15.0,test,COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2
537785,COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)OC,419.09727,[M+H]+,20.0,test,COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2
537786,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537787,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537788,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,60.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537789,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537790,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,45.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537791,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,45.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537792,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,45.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537793,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537794,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,60.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537795,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,45.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537796,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537797,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537798,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,60.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537799,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,30.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537800,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537801,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537802,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537803,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,60.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537804,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,15.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537805,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537806,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537807,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537808,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,60.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537809,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,15.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537810,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537811,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,60.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537812,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,15.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537813,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537814,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537815,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537816,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,60.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537817,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,15.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537818,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537819,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537820,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537821,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,45.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537822,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,60.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537823,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537824,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,45.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537825,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,60.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537826,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,417.08272,[M-H]-,20.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537827,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O,417.08272,[M-H]-,20.0,test,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
537828,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O,417.08272,[M-H]-,20.0,test,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
537829,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O,417.08272,[M-H]-,60.0,test,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
537830,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O,417.08272,[M-H]-,30.0,test,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
537831,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O,417.08272,[M-H]-,20.0,test,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
537832,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O,417.08272,[M-H]-,30.0,test,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
537833,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O,417.08272,[M-H]-,60.0,test,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
537834,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O,417.08272,[M-H]-,20.0,test,O=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
537835,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537836,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537837,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,60.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537838,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,15.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537839,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,419.09727,[M+H]+,20.0,test,O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
537840,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,372.14416,[M+NH4]+,20.0,test,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
537841,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,372.14416,[M+NH4]+,20.0,test,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
537842,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,372.14416,[M+NH4]+,60.0,test,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
537843,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,372.14416,[M+NH4]+,15.0,test,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
537844,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,372.14416,[M+NH4]+,20.0,test,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
537845,COc1c2c(=O)c3c(O)c4c(cc3oc2ccc1)OC1(C)CCCC4O1,355.11761,[M+H]+,20.0,test,COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1
537846,COc1c2c(=O)c3c(O)c4c(cc3oc2ccc1)OC1(C)CCCC4O1,355.11761,[M+H]+,20.0,test,COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1
537847,COc1c2c(=O)c3c(O)c4c(cc3oc2ccc1)OC1(C)CCCC4O1,355.11761,[M+H]+,60.0,test,COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1
537848,COc1c2c(=O)c3c(O)c4c(cc3oc2ccc1)OC1(C)CCCC4O1,355.11761,[M+H]+,20.0,test,COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1
537849,COc1c2c(=O)c3c(O)c4c(cc3oc2ccc1)OC1(C)CCCC4O1,355.11761,[M+H]+,45.0,test,COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1
537850,COc1c2c(=O)c3c(O)c4c(cc3oc2ccc1)OC1(C)CCCC4O1,355.11761,[M+H]+,60.0,test,COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1
537851,COc1c2c(=O)c3c(O)c4c(cc3oc2ccc1)OC1(C)CCCC4O1,355.11761,[M+H]+,20.0,test,COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1
537852,COc1c2c(=O)c3c(O)c4c(cc3oc2ccc1)OC1(C)CCCC4O1,355.11761,[M+H]+,45.0,test,COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1
537853,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,353.10306,[M-H]-,20.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537854,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,353.10306,[M-H]-,20.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537855,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,353.10306,[M-H]-,60.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537856,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,353.10306,[M-H]-,20.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537857,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,353.10306,[M-H]-,60.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537858,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,353.10306,[M-H]-,20.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537859,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,353.10306,[M-H]-,20.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537860,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,353.10306,[M-H]-,20.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537861,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,353.10306,[M-H]-,45.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537862,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,353.10306,[M-H]-,60.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537863,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,353.10306,[M-H]-,20.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537864,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,353.10306,[M-H]-,20.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537865,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,353.10306,[M-H]-,20.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537866,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,353.10306,[M-H]-,45.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537867,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,353.10306,[M-H]-,60.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537868,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,353.10306,[M-H]-,20.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537869,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,353.10306,[M-H]-,45.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537870,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,353.10306,[M-H]-,60.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537871,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,353.10306,[M-H]-,20.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537872,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,355.11761,[M+H]+,20.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537873,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,355.11761,[M+H]+,20.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537874,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,355.11761,[M+H]+,60.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537875,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,355.11761,[M+H]+,30.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537876,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,355.11761,[M+H]+,20.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537877,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,355.11761,[M+H]+,60.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537878,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,355.11761,[M+H]+,20.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537879,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,355.11761,[M+H]+,30.0,test,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
537880,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,355.11761,[M+H]+,20.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537881,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,355.11761,[M+H]+,20.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537882,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,355.11761,[M+H]+,45.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537883,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,355.11761,[M+H]+,60.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537884,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,355.11761,[M+H]+,20.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537885,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,355.11761,[M+H]+,60.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537886,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,355.11761,[M+H]+,45.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537887,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12,355.11761,[M+H]+,20.0,test,CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12
537888,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,355.11761,[M+H]+,20.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537889,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,355.11761,[M+H]+,20.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537890,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,355.11761,[M+H]+,60.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537891,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,355.11761,[M+H]+,30.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537892,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,355.11761,[M+H]+,20.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537893,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,355.11761,[M+H]+,30.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537894,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,355.11761,[M+H]+,20.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537895,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O,355.11761,[M+H]+,60.0,test,CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O
537896,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1,388.12226,[M+H]+,15.0,test,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1
537897,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1,388.12226,[M+H]+,15.0,test,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1
537898,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1,388.12226,[M+H]+,20.0,test,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1
537899,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1,388.12226,[M+H]+,60.0,test,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1
537900,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1,388.12226,[M+H]+,15.0,test,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1
537901,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1,388.12226,[M+H]+,20.0,test,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1
537902,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1,388.12226,[M+H]+,60.0,test,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1
537903,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1,388.12226,[M+H]+,15.0,test,Fc1ccc(-c2noc(CNC3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1
537904,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,365.11746,[M-H]-,20.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537905,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,365.11746,[M-H]-,20.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537906,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,365.11746,[M-H]-,60.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537907,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,365.11746,[M-H]-,20.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537908,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,365.11746,[M-H]-,45.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537909,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,411.12294,[M+FA]-,15.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537910,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,411.12294,[M+FA]-,15.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537911,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,411.12294,[M+FA]-,60.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537912,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,367.13201,[M+H]+,45.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537913,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,367.13201,[M+H]+,45.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537914,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,367.13201,[M+H]+,20.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537915,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,367.13201,[M+H]+,60.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537916,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,367.13201,[M+H]+,45.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537917,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,367.13201,[M+H]+,20.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537918,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,367.13201,[M+H]+,60.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537919,CCCn1cnc2c1ccc(CNC(=O)c1cc3c(ccc(Cl)c3)[nH]1)c2,367.13201,[M+H]+,45.0,test,CCCn1cnc2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21
537920,O=C(NCC1(c2cc(Cl)ccc2)CCOCC1)c1csc(-c2nccnc2)n1,415.099,[M+H]+,20.0,test,O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1csc(-c2cnccn2)n1
537921,O=C(NCC1(c2cc(Cl)ccc2)CCOCC1)c1csc(-c2nccnc2)n1,415.099,[M+H]+,20.0,test,O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1csc(-c2cnccn2)n1
537922,O=C(NCC1(c2cc(Cl)ccc2)CCOCC1)c1csc(-c2nccnc2)n1,415.099,[M+H]+,60.0,test,O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1csc(-c2cnccn2)n1
537923,O=C(NCC1(c2cc(Cl)ccc2)CCOCC1)c1csc(-c2nccnc2)n1,415.099,[M+H]+,30.0,test,O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1csc(-c2cnccn2)n1
537924,O=C(NCC1(c2cc(Cl)ccc2)CCOCC1)c1csc(-c2nccnc2)n1,415.099,[M+H]+,20.0,test,O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1csc(-c2cnccn2)n1
537925,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc12,415.099,[M+H]+,20.0,test,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
537926,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc12,415.099,[M+H]+,20.0,test,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
537927,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc12,415.099,[M+H]+,60.0,test,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
537928,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc12,415.099,[M+H]+,20.0,test,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
537929,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc12,415.099,[M+H]+,45.0,test,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
537930,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc12,415.099,[M+H]+,60.0,test,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
537931,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc12,415.099,[M+H]+,20.0,test,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
537932,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc12,415.099,[M+H]+,45.0,test,COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
537933,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,375.13259,[M-H]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537934,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,375.13259,[M-H]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537935,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,375.13259,[M-H]-,60.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537936,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,375.13259,[M-H]-,30.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537937,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,375.13259,[M-H]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537938,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,375.13259,[M-H]-,60.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537939,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,375.13259,[M-H]-,30.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537940,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,375.13259,[M-H]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537941,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,411.10926,[M+Cl]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537942,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,411.10926,[M+Cl]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537943,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,411.10926,[M+Cl]-,60.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537944,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,411.10926,[M+Cl]-,15.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537945,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,411.10926,[M+Cl]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537946,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,421.13807,[M+FA]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537947,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,421.13807,[M+FA]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537948,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,421.13807,[M+FA]-,60.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537949,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,421.13807,[M+FA]-,15.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537950,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,421.13807,[M+FA]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537951,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,421.13807,[M+FA]-,60.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537952,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,421.13807,[M+FA]-,15.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537953,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,421.13807,[M+FA]-,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537954,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,377.14714,[M+H]+,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537955,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,377.14714,[M+H]+,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537956,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,377.14714,[M+H]+,60.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537957,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,377.14714,[M+H]+,15.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537958,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,377.14714,[M+H]+,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537959,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,377.14714,[M+H]+,60.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537960,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,377.14714,[M+H]+,15.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537961,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1,377.14714,[M+H]+,20.0,test,CNC(=O)C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1ccccc1
537962,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,377.14714,[M+H]+,20.0,test,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
537963,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,377.14714,[M+H]+,20.0,test,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
537964,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,377.14714,[M+H]+,60.0,test,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
537965,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,377.14714,[M+H]+,30.0,test,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
537966,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,377.14714,[M+H]+,20.0,test,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
537967,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,377.14714,[M+H]+,60.0,test,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
537968,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,377.14714,[M+H]+,30.0,test,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
537969,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,377.14714,[M+H]+,20.0,test,O=C(NC1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
537970,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,375.13259,[M-H]-,20.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
537971,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,375.13259,[M-H]-,20.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
537972,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,375.13259,[M-H]-,45.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
537973,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,375.13259,[M-H]-,60.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
537974,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,375.13259,[M-H]-,20.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
537975,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,375.13259,[M-H]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537976,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,375.13259,[M-H]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537977,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,375.13259,[M-H]-,45.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537978,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,375.13259,[M-H]-,60.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537979,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,375.13259,[M-H]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537980,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,375.13259,[M-H]-,45.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537981,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,375.13259,[M-H]-,60.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537982,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,375.13259,[M-H]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537983,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,411.10926,[M+Cl]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537984,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,411.10926,[M+Cl]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537985,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,411.10926,[M+Cl]-,60.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537986,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,411.10926,[M+Cl]-,15.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537987,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,411.10926,[M+Cl]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537988,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,421.13807,[M+FA]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537989,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,421.13807,[M+FA]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537990,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,421.13807,[M+FA]-,60.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537991,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,421.13807,[M+FA]-,15.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537992,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,421.13807,[M+FA]-,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537993,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,377.14714,[M+H]+,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537994,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,377.14714,[M+H]+,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537995,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,377.14714,[M+H]+,30.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537996,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,377.14714,[M+H]+,60.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537997,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,377.14714,[M+H]+,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537998,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,377.14714,[M+H]+,45.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
537999,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,377.14714,[M+H]+,60.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
538000,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,377.14714,[M+H]+,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
538001,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,399.12908,[M+Na]+,45.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
538002,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21,399.12908,[M+Na]+,20.0,test,CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
538003,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,377.14714,[M+H]+,20.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
538004,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,377.14714,[M+H]+,20.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
538005,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,377.14714,[M+H]+,45.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
538006,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,377.14714,[M+H]+,60.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
538007,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,377.14714,[M+H]+,20.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
538008,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,377.14714,[M+H]+,60.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
538009,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,377.14714,[M+H]+,45.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
538010,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O,377.14714,[M+H]+,20.0,test,Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O
538011,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,353.11294,[M-H]-,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538012,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,353.11294,[M-H]-,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538013,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,353.11294,[M-H]-,60.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538014,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,353.11294,[M-H]-,60.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538015,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,399.11841,[M+FA]-,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538016,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,399.11841,[M+FA]-,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538017,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,399.11841,[M+FA]-,60.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538018,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,399.11841,[M+FA]-,15.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538019,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,399.11841,[M+FA]-,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538020,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,399.11841,[M+FA]-,60.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538021,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,399.11841,[M+FA]-,15.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538022,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,399.11841,[M+FA]-,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538023,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,355.12749,[M+H]+,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538024,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,355.12749,[M+H]+,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538025,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,355.12749,[M+H]+,60.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538026,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,355.12749,[M+H]+,20.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538027,Cc1c(F)cc(CCC(=O)NCc2cc(-c3cccs3)ncc2)cc1,355.12749,[M+H]+,60.0,test,Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F
538028,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,397.114,[M-H]-,20.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538029,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,397.114,[M-H]-,20.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538030,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,397.114,[M-H]-,60.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538031,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,397.114,[M-H]-,20.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538032,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,397.114,[M-H]-,45.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538033,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,397.114,[M-H]-,60.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538034,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,397.114,[M-H]-,20.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538035,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,397.114,[M-H]-,45.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538036,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,399.12855,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538037,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,399.12855,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538038,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,399.12855,[M+H]+,60.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538039,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,399.12855,[M+H]+,30.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538040,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,399.12855,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538041,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,399.12855,[M+H]+,60.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538042,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,399.12855,[M+H]+,30.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538043,CC(C)(C)S(=O)(=O)c1cc2c(Nc3n[nH]c4c3cc(F)cc4)ccnc2cc1,399.12855,[M+H]+,20.0,test,CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
538044,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,20.0,test,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1
538045,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,20.0,test,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1
538046,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,60.0,test,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1
538047,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,20.0,test,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1
538048,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,45.0,test,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1
538049,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,60.0,test,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1
538050,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,20.0,test,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1
538051,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,45.0,test,O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1
538052,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,316.14554,[M-H]-,20.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538053,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,316.14554,[M-H]-,20.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538054,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,316.14554,[M-H]-,60.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538055,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,316.14554,[M-H]-,30.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538056,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,316.14554,[M-H]-,20.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538057,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,318.16009,[M+H]+,20.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538058,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,318.16009,[M+H]+,20.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538059,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,318.16009,[M+H]+,60.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538060,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,318.16009,[M+H]+,20.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538061,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,318.16009,[M+H]+,45.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538062,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,318.16009,[M+H]+,60.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538063,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,318.16009,[M+H]+,20.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538064,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1c(C)cc(C)[nH]1,318.16009,[M+H]+,45.0,test,COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
538065,COc1ccc(N2C(C)=Nc3c4c2cc(C)nc4c(C)cc3)cc1,318.16009,[M+H]+,20.0,test,COc1ccc(N2C(C)=Nc3ccc(C)c4nc(C)cc2c34)cc1
538066,COc1ccc(N2C(C)=Nc3c4c2cc(C)nc4c(C)cc3)cc1,318.16009,[M+H]+,20.0,test,COc1ccc(N2C(C)=Nc3ccc(C)c4nc(C)cc2c34)cc1
538067,COc1ccc(N2C(C)=Nc3c4c2cc(C)nc4c(C)cc3)cc1,318.16009,[M+H]+,60.0,test,COc1ccc(N2C(C)=Nc3ccc(C)c4nc(C)cc2c34)cc1
538068,COc1ccc(N2C(C)=Nc3c4c2cc(C)nc4c(C)cc3)cc1,318.16009,[M+H]+,20.0,test,COc1ccc(N2C(C)=Nc3ccc(C)c4nc(C)cc2c34)cc1
538069,COc1ccc(N2C(C)=Nc3c4c2cc(C)nc4c(C)cc3)cc1,318.16009,[M+H]+,60.0,test,COc1ccc(N2C(C)=Nc3ccc(C)c4nc(C)cc2c34)cc1
538070,CC1(C)CC(=O)c2c(-c3cnccc3)n(-c3ccccc3)nc2C1,318.16009,[M+H]+,20.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538071,CC1(C)CC(=O)c2c(-c3cnccc3)n(-c3ccccc3)nc2C1,318.16009,[M+H]+,20.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538072,CC1(C)CC(=O)c2c(-c3cnccc3)n(-c3ccccc3)nc2C1,318.16009,[M+H]+,60.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538073,CC1(C)CC(=O)c2c(-c3cnccc3)n(-c3ccccc3)nc2C1,318.16009,[M+H]+,20.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538074,CC1(C)CC(=O)c2c(-c3cnccc3)n(-c3ccccc3)nc2C1,318.16009,[M+H]+,60.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538075,CC1(C)CC(=O)c2c(-c3cnccc3)n(-c3ccccc3)nc2C1,318.16009,[M+H]+,20.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538076,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,20.0,test,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
538077,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,20.0,test,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
538078,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,60.0,test,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
538079,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,30.0,test,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
538080,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,20.0,test,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
538081,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,60.0,test,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
538082,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,30.0,test,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
538083,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,318.16009,[M+H]+,20.0,test,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
538084,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,317.15281,[M]+,45.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538085,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,317.15281,[M]+,45.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538086,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,317.15281,[M]+,45.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538087,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,317.15281,[M]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538088,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,317.15281,[M]+,60.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538089,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,318.16009,[M+H]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538090,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,318.16009,[M+H]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538091,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,318.16009,[M+H]+,45.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538092,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,318.16009,[M+H]+,60.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538093,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,318.16009,[M+H]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538094,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,318.16009,[M+H]+,45.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538095,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,318.16009,[M+H]+,60.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538096,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1,318.16009,[M+H]+,20.0,test,Cc1cccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)c1
538097,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1,318.16009,[M+H]+,20.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538098,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1,318.16009,[M+H]+,20.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538099,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1,318.16009,[M+H]+,60.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538100,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1,318.16009,[M+H]+,20.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538101,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1,318.16009,[M+H]+,20.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538102,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1,318.16009,[M+H]+,60.0,test,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1
538103,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1,318.16009,[M+H]+,20.0,test,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1
538104,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1,318.16009,[M+H]+,20.0,test,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1
538105,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1,318.16009,[M+H]+,45.0,test,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1
538106,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1,318.16009,[M+H]+,60.0,test,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1
538107,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1,318.16009,[M+H]+,20.0,test,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1
538108,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1,318.16009,[M+H]+,60.0,test,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1
538109,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1,318.16009,[M+H]+,45.0,test,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1
538110,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1,318.16009,[M+H]+,20.0,test,Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1
538111,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,400.06827,[M-H]-,20.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538112,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,400.06827,[M-H]-,20.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538113,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,400.06827,[M-H]-,60.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538114,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,400.06827,[M-H]-,20.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538115,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,400.06827,[M-H]-,45.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538116,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,400.06827,[M-H]-,60.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538117,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,400.06827,[M-H]-,20.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538118,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,400.06827,[M-H]-,45.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538119,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,402.08283,[M+H]+,20.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538120,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,402.08283,[M+H]+,20.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538121,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,402.08283,[M+H]+,60.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538122,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,402.08283,[M+H]+,30.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538123,CCc1cc(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c(OC)cc1,402.08283,[M+H]+,20.0,test,CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)c3cccs3)cc2)c1
538124,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,352.11905,[M-H]-,20.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538125,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,352.11905,[M-H]-,20.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538126,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,352.11905,[M-H]-,60.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538127,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,352.11905,[M-H]-,30.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538128,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,352.11905,[M-H]-,20.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538129,CN1CCc2cc3c(cc2C(=O)Cc2c(C1)c1c(cc2)OCO1)OCO3,354.1336,[M+H]+,20.0,test,CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3
538130,CN1CCc2cc3c(cc2C(=O)Cc2c(C1)c1c(cc2)OCO1)OCO3,354.1336,[M+H]+,20.0,test,CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3
538131,CN1CCc2cc3c(cc2C(=O)Cc2c(C1)c1c(cc2)OCO1)OCO3,354.1336,[M+H]+,60.0,test,CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3
538132,CN1CCc2cc3c(cc2C(=O)Cc2c(C1)c1c(cc2)OCO1)OCO3,354.1336,[M+H]+,20.0,test,CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3
538133,CN1CCc2cc3c(cc2C(=O)Cc2c(C1)c1c(cc2)OCO1)OCO3,354.1336,[M+H]+,45.0,test,CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3
538134,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538135,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538136,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,60.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538137,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538138,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,45.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538139,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,354.1336,[M+H]+,20.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538140,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,354.1336,[M+H]+,20.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538141,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,354.1336,[M+H]+,60.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538142,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,354.1336,[M+H]+,30.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538143,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,354.1336,[M+H]+,20.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538144,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,354.1336,[M+H]+,60.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538145,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,354.1336,[M+H]+,20.0,test,N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
538146,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,352.11905,[M-H]-,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538147,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,352.11905,[M-H]-,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538148,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,352.11905,[M-H]-,60.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538149,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,352.11905,[M-H]-,15.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538150,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,352.11905,[M-H]-,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538151,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,398.12453,[M+FA]-,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538152,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,398.12453,[M+FA]-,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538153,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,398.12453,[M+FA]-,60.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538154,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,398.12453,[M+FA]-,15.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538155,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,398.12453,[M+FA]-,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538156,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,354.1336,[M+H]+,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538157,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,354.1336,[M+H]+,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538158,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,354.1336,[M+H]+,60.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538159,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,354.1336,[M+H]+,15.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538160,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1,354.1336,[M+H]+,20.0,test,COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1
538161,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538162,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538163,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,60.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538164,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,30.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538165,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538166,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,60.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538167,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,30.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538168,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,354.1336,[M+H]+,20.0,test,CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
538169,COc1c(O)cc2c(c1)CCN(C)C21Cc2c(C1=O)c1c(cc2)OCO1,354.1336,[M+H]+,20.0,test,COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
538170,COc1c(O)cc2c(c1)CCN(C)C21Cc2c(C1=O)c1c(cc2)OCO1,354.1336,[M+H]+,20.0,test,COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
538171,COc1c(O)cc2c(c1)CCN(C)C21Cc2c(C1=O)c1c(cc2)OCO1,354.1336,[M+H]+,60.0,test,COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
538172,COc1c(O)cc2c(c1)CCN(C)C21Cc2c(C1=O)c1c(cc2)OCO1,354.1336,[M+H]+,30.0,test,COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
538173,COc1c(O)cc2c(c1)CCN(C)C21Cc2c(C1=O)c1c(cc2)OCO1,354.1336,[M+H]+,20.0,test,COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
538174,COc1c(O)cc2c(c1)CCN(C)C21Cc2c(C1=O)c1c(cc2)OCO1,354.1336,[M+H]+,60.0,test,COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
538175,COc1c(O)cc2c(c1)CCN(C)C21Cc2c(C1=O)c1c(cc2)OCO1,354.1336,[M+H]+,30.0,test,COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
538176,COc1c(O)cc2c(c1)CCN(C)C21Cc2c(C1=O)c1c(cc2)OCO1,354.1336,[M+H]+,20.0,test,COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
538177,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3,354.1336,[M+H]+,20.0,test,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3
538178,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3,354.1336,[M+H]+,20.0,test,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3
538179,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3,354.1336,[M+H]+,60.0,test,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3
538180,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3,354.1336,[M+H]+,20.0,test,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3
538181,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3,354.1336,[M+H]+,45.0,test,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3
538182,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3,354.1336,[M+H]+,60.0,test,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3
538183,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3,354.1336,[M+H]+,20.0,test,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3
538184,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3,354.1336,[M+H]+,45.0,test,CN1CCc2cc3c(cc2C(=O)Cc2cc4c(cc2C1)OCO4)OCO3
538185,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C,354.1336,[M+H]+,20.0,test,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C
538186,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C,354.1336,[M+H]+,20.0,test,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C
538187,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C,354.1336,[M+H]+,60.0,test,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C
538188,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C,354.1336,[M+H]+,30.0,test,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C
538189,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C,354.1336,[M+H]+,20.0,test,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C
538190,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C,354.1336,[M+H]+,60.0,test,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C
538191,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C,354.1336,[M+H]+,30.0,test,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C
538192,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C,354.1336,[M+H]+,20.0,test,CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C
538193,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br,458.06447,[M+H]+,20.0,test,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br
538194,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br,458.06447,[M+H]+,20.0,test,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br
538195,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br,458.06447,[M+H]+,45.0,test,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br
538196,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br,458.06447,[M+H]+,60.0,test,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br
538197,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br,458.06447,[M+H]+,20.0,test,COc1c(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc2ccccc2c1Br
538198,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,497.05258,[M-H]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538199,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,497.05258,[M-H]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538200,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,497.05258,[M-H]-,45.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538201,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,497.05258,[M-H]-,60.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538202,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,497.05258,[M-H]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538203,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,497.05258,[M-H]-,45.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538204,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,497.05258,[M-H]-,60.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538205,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,497.05258,[M-H]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538206,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,533.02925,[M+Cl]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538207,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,533.02925,[M+Cl]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538208,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,533.02925,[M+Cl]-,60.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538209,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,543.05806,[M+FA]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538210,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,543.05806,[M+FA]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538211,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,543.05806,[M+FA]-,60.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538212,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,543.05806,[M+FA]-,15.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538213,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,543.05806,[M+FA]-,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538214,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,499.06713,[M+H]+,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538215,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,499.06713,[M+H]+,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538216,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,499.06713,[M+H]+,60.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538217,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,499.06713,[M+H]+,30.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538218,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,499.06713,[M+H]+,20.0,test,CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1
538219,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,381.13509,[M]+,30.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538220,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,381.13509,[M]+,30.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538221,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,381.13509,[M]+,60.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538222,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,381.13509,[M]+,20.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538223,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,381.13509,[M]+,30.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538224,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,382.14291,[M+H]+,20.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538225,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,382.14291,[M+H]+,20.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538226,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,382.14291,[M+H]+,60.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538227,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,382.14291,[M+H]+,30.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538228,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,382.14291,[M+H]+,20.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538229,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,382.14291,[M+H]+,30.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538230,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,382.14291,[M+H]+,60.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538231,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1,382.14291,[M+H]+,20.0,test,CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1
538232,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,404.07288,[M-H]-,15.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538233,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,404.07288,[M-H]-,15.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538234,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,404.07288,[M-H]-,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538235,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,404.07288,[M-H]-,60.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538236,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,404.07288,[M-H]-,15.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538237,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,440.04956,[M+Cl]-,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538238,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,440.04956,[M+Cl]-,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538239,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,450.07836,[M+FA]-,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538240,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,450.07836,[M+FA]-,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538241,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,450.07836,[M+FA]-,60.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538242,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,450.07836,[M+FA]-,15.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538243,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,450.07836,[M+FA]-,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538244,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,450.07836,[M+FA]-,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538245,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,450.07836,[M+FA]-,15.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538246,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,450.07836,[M+FA]-,60.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538247,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,388.07687,[M+H-H2O]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538248,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,388.07687,[M+H-H2O]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538249,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,388.07687,[M+H-H2O]+,60.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538250,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,388.07687,[M+H-H2O]+,15.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538251,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1,388.07687,[M+H-H2O]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc(-c2ccsc2)o1
538252,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538253,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538254,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538255,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,30.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538256,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538257,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,45.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538258,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538259,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538260,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,502.0933,[M+Cl]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538261,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,502.0933,[M+Cl]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538262,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,502.0933,[M+Cl]-,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538263,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538264,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538265,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538266,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,15.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538267,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538268,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538269,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,15.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538270,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538271,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538272,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538273,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538274,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,45.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538275,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538276,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,45.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538277,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538278,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538279,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,45.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538280,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538281,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538282,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,45.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538283,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538284,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,466.11662,[M-H]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538285,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538286,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538287,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538288,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,15.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538289,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,512.1221,[M+FA]-,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538290,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538291,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538292,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,45.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538293,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538294,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538295,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,45.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538296,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,60.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538297,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O,468.13117,[M+H]+,20.0,test,CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
538298,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,400.11367,[M-H]-,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538299,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,400.11367,[M-H]-,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538300,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,400.11367,[M-H]-,60.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538301,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,400.11367,[M-H]-,30.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538302,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,400.11367,[M-H]-,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538303,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,436.09034,[M+Cl]-,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538304,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,446.11914,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538305,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,446.11914,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538306,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,446.11914,[M+FA]-,60.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538307,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,446.11914,[M+FA]-,15.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538308,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,446.11914,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538309,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,402.12822,[M+H]+,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538310,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,402.12822,[M+H]+,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538311,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,402.12822,[M+H]+,60.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538312,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,402.12822,[M+H]+,15.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538313,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2c(cc(F)cc2)O1,402.12822,[M+H]+,20.0,test,CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
538314,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,416.10858,[M-H]-,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538315,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,416.10858,[M-H]-,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538316,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,416.10858,[M-H]-,60.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538317,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,416.10858,[M-H]-,30.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538318,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,416.10858,[M-H]-,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538319,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,416.10858,[M-H]-,60.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538320,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,416.10858,[M-H]-,30.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538321,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,416.10858,[M-H]-,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538322,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,452.08526,[M+Cl]-,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538323,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,452.08526,[M+Cl]-,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538324,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,452.08526,[M+Cl]-,60.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538325,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,452.08526,[M+Cl]-,15.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538326,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,452.08526,[M+Cl]-,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538327,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1,418.12313,[M+H]+,20.0,test,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1
538328,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1,418.12313,[M+H]+,20.0,test,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1
538329,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1,418.12313,[M+H]+,60.0,test,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1
538330,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1,418.12313,[M+H]+,30.0,test,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1
538331,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1,418.12313,[M+H]+,20.0,test,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1
538332,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1,418.12313,[M+H]+,60.0,test,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1
538333,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1,418.12313,[M+H]+,30.0,test,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1
538334,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1,418.12313,[M+H]+,20.0,test,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccc(F)cn4)C3)cc2)co1
538335,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1,418.12313,[M+H]+,20.0,test,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1
538336,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1,418.12313,[M+H]+,20.0,test,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1
538337,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1,418.12313,[M+H]+,60.0,test,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1
538338,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1,418.12313,[M+H]+,30.0,test,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1
538339,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1,418.12313,[M+H]+,20.0,test,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1
538340,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,418.12313,[M+H]+,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538341,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,418.12313,[M+H]+,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538342,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,418.12313,[M+H]+,60.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538343,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,418.12313,[M+H]+,15.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538344,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1,418.12313,[M+H]+,20.0,test,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1
538345,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1,358.12715,[M+H]+,20.0,test,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1
538346,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1,358.12715,[M+H]+,20.0,test,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1
538347,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1,358.12715,[M+H]+,60.0,test,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1
538348,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1,358.12715,[M+H]+,30.0,test,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1
538349,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1,358.12715,[M+H]+,20.0,test,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1
538350,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1,358.12715,[M+H]+,60.0,test,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1
538351,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1,358.12715,[M+H]+,30.0,test,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1
538352,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1,358.12715,[M+H]+,20.0,test,O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1
538353,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1,381.14559,[M+FA]-,20.0,test,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1
538354,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1,381.14559,[M+FA]-,20.0,test,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1
538355,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1,337.15467,[M+H]+,20.0,test,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1
538356,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1,337.15467,[M+H]+,20.0,test,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1
538357,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1,337.15467,[M+H]+,60.0,test,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1
538358,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1,337.15467,[M+H]+,30.0,test,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1
538359,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1,337.15467,[M+H]+,20.0,test,NC(=O)C1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1
538360,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,335.14012,[M-H]-,20.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538361,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,335.14012,[M-H]-,20.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538362,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,335.14012,[M-H]-,60.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538363,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,335.14012,[M-H]-,20.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538364,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,335.14012,[M-H]-,45.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538365,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,337.15467,[M+H]+,20.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538366,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,337.15467,[M+H]+,20.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538367,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,337.15467,[M+H]+,60.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538368,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,337.15467,[M+H]+,30.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538369,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O,337.15467,[M+H]+,20.0,test,CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
538370,COc1cc2c(cc1)occ2C(=O)c1ccc(N=C(C)N(C)C)cc1,337.15467,[M+H]+,20.0,test,COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1
538371,COc1cc2c(cc1)occ2C(=O)c1ccc(N=C(C)N(C)C)cc1,337.15467,[M+H]+,20.0,test,COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1
538372,COc1cc2c(cc1)occ2C(=O)c1ccc(N=C(C)N(C)C)cc1,337.15467,[M+H]+,60.0,test,COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1
538373,COc1cc2c(cc1)occ2C(=O)c1ccc(N=C(C)N(C)C)cc1,337.15467,[M+H]+,20.0,test,COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1
538374,COc1cc2c(cc1)occ2C(=O)c1ccc(N=C(C)N(C)C)cc1,337.15467,[M+H]+,45.0,test,COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1
538375,COc1cc2c(cc1)occ2C(=O)c1ccc(N=C(C)N(C)C)cc1,337.15467,[M+H]+,60.0,test,COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1
538376,COc1cc2c(cc1)occ2C(=O)c1ccc(N=C(C)N(C)C)cc1,337.15467,[M+H]+,20.0,test,COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1
538377,COc1cc2c(cc1)occ2C(=O)c1ccc(N=C(C)N(C)C)cc1,337.15467,[M+H]+,45.0,test,COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1
538378,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1,337.15467,[M+H]+,20.0,test,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1
538379,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1,337.15467,[M+H]+,20.0,test,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1
538380,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1,337.15467,[M+H]+,60.0,test,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1
538381,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1,337.15467,[M+H]+,30.0,test,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1
538382,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1,337.15467,[M+H]+,20.0,test,CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1
538383,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7,337.15467,[M+H]+,20.0,test,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7
538384,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7,337.15467,[M+H]+,20.0,test,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7
538385,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7,337.15467,[M+H]+,60.0,test,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7
538386,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7,337.15467,[M+H]+,20.0,test,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7
538387,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7,337.15467,[M+H]+,60.0,test,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7
538388,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7,337.15467,[M+H]+,20.0,test,O=C1C[C@]23C=CCN4CCC5c6cc7c(cc6N1[C@@]5(CC2)C43)OCO7
538389,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,335.14012,[M-H]-,20.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538390,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,335.14012,[M-H]-,20.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538391,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,335.14012,[M-H]-,60.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538392,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,335.14012,[M-H]-,30.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538393,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,335.14012,[M-H]-,20.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538394,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,335.14012,[M-H]-,60.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538395,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,335.14012,[M-H]-,30.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538396,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,335.14012,[M-H]-,20.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538397,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,337.15467,[M+H]+,20.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538398,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,337.15467,[M+H]+,20.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538399,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,337.15467,[M+H]+,60.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538400,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,337.15467,[M+H]+,30.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538401,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,337.15467,[M+H]+,20.0,test,Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
538402,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,335.14012,[M-H]-,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538403,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,335.14012,[M-H]-,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538404,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,335.14012,[M-H]-,45.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538405,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,335.14012,[M-H]-,60.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538406,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,335.14012,[M-H]-,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538407,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,381.14559,[M+FA]-,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538408,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,381.14559,[M+FA]-,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538409,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,381.14559,[M+FA]-,60.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538410,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,381.14559,[M+FA]-,15.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538411,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,381.14559,[M+FA]-,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538412,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,335.14012,[M-H]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538413,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,335.14012,[M-H]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538414,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,335.14012,[M-H]-,60.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538415,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,335.14012,[M-H]-,30.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538416,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,335.14012,[M-H]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538417,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,381.14559,[M+FA]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538418,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,381.14559,[M+FA]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538419,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,381.14559,[M+FA]-,60.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538420,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,381.14559,[M+FA]-,30.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538421,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,381.14559,[M+FA]-,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538422,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,335.14012,[M-H]-,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538423,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,335.14012,[M-H]-,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538424,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,335.14012,[M-H]-,60.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538425,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,335.14012,[M-H]-,30.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538426,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,335.14012,[M-H]-,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538427,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,335.14012,[M-H]-,30.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538428,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,335.14012,[M-H]-,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538429,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,335.14012,[M-H]-,60.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538430,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,371.11679,[M+Cl]-,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538431,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,371.11679,[M+Cl]-,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538432,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,371.11679,[M+Cl]-,60.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538433,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,371.11679,[M+Cl]-,15.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538434,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,371.11679,[M+Cl]-,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538435,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,381.14559,[M+FA]-,20.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538436,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,381.14559,[M+FA]-,20.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538437,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,381.14559,[M+FA]-,60.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538438,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,381.14559,[M+FA]-,15.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538439,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,381.14559,[M+FA]-,20.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538440,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,337.15467,[M+H]+,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538441,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,337.15467,[M+H]+,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538442,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,337.15467,[M+H]+,60.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538443,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,337.15467,[M+H]+,30.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538444,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12,337.15467,[M+H]+,20.0,test,COC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12
538445,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1,337.15467,[M+H]+,20.0,test,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1
538446,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1,337.15467,[M+H]+,20.0,test,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1
538447,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1,337.15467,[M+H]+,60.0,test,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1
538448,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1,337.15467,[M+H]+,30.0,test,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1
538449,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1,337.15467,[M+H]+,20.0,test,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1
538450,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1,337.15467,[M+H]+,60.0,test,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1
538451,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1,337.15467,[M+H]+,30.0,test,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1
538452,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1,337.15467,[M+H]+,20.0,test,CN1C(=O)COC(C(=O)N2Cc3ccccc3C2)C1c1ccccc1
538453,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,337.15467,[M+H]+,20.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538454,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,337.15467,[M+H]+,20.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538455,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,337.15467,[M+H]+,45.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538456,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,337.15467,[M+H]+,60.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538457,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,337.15467,[M+H]+,20.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538458,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,337.15467,[M+H]+,60.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538459,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,337.15467,[M+H]+,45.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538460,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1,337.15467,[M+H]+,20.0,test,CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1
538461,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,337.15467,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538462,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,337.15467,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538463,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,337.15467,[M+H]+,45.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538464,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,337.15467,[M+H]+,60.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538465,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,337.15467,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538466,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,337.15467,[M+H]+,45.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538467,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,337.15467,[M+H]+,60.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538468,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,337.15467,[M+H]+,20.0,test,CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
538469,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,337.15467,[M+H]+,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538470,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,337.15467,[M+H]+,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538471,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,337.15467,[M+H]+,60.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538472,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,337.15467,[M+H]+,30.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538473,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,337.15467,[M+H]+,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538474,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,337.15467,[M+H]+,60.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538475,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,337.15467,[M+H]+,30.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538476,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1,337.15467,[M+H]+,20.0,test,Cc1cccc(NC(=O)CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)c1
538477,COc1c(OC)cc(CNCc2csc(-c3cc4c(cc3)OCO4)n2)cc1,385.12165,[M+H]+,20.0,test,COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC
538478,COc1c(OC)cc(CNCc2csc(-c3cc4c(cc3)OCO4)n2)cc1,385.12165,[M+H]+,20.0,test,COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC
538479,COc1c(OC)cc(CNCc2csc(-c3cc4c(cc3)OCO4)n2)cc1,385.12165,[M+H]+,60.0,test,COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC
538480,COc1c(OC)cc(CNCc2csc(-c3cc4c(cc3)OCO4)n2)cc1,385.12165,[M+H]+,15.0,test,COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC
538481,COc1c(OC)cc(CNCc2csc(-c3cc4c(cc3)OCO4)n2)cc1,385.12165,[M+H]+,20.0,test,COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC
538482,COc1c(OC)cc(CNCc2csc(-c3cc4c(cc3)OCO4)n2)cc1,385.12165,[M+H]+,60.0,test,COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC
538483,COc1c(OC)cc(CNCc2csc(-c3cc4c(cc3)OCO4)n2)cc1,385.12165,[M+H]+,15.0,test,COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC
538484,COc1c(OC)cc(CNCc2csc(-c3cc4c(cc3)OCO4)n2)cc1,385.12165,[M+H]+,20.0,test,COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC
538485,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,383.1071,[M-H]-,20.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538486,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,383.1071,[M-H]-,20.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538487,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,383.1071,[M-H]-,60.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538488,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,383.1071,[M-H]-,30.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538489,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,383.1071,[M-H]-,20.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538490,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,383.1071,[M-H]-,30.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538491,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,383.1071,[M-H]-,20.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538492,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,383.1071,[M-H]-,60.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538493,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,429.11258,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538494,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,429.11258,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538495,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,429.11258,[M+FA]-,60.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538496,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,429.11258,[M+FA]-,15.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538497,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,429.11258,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538498,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,429.11258,[M+FA]-,15.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538499,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,429.11258,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538500,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,429.11258,[M+FA]-,60.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538501,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,385.12165,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538502,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,385.12165,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538503,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,385.12165,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538504,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,385.12165,[M+H]+,15.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538505,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1,385.12165,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
538506,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,385.12165,[M+H]+,20.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538507,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,385.12165,[M+H]+,20.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538508,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,385.12165,[M+H]+,60.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538509,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,385.12165,[M+H]+,30.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538510,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,385.12165,[M+H]+,20.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538511,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,385.12165,[M+H]+,60.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538512,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,385.12165,[M+H]+,30.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538513,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12,385.12165,[M+H]+,20.0,test,CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
538514,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538515,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538516,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]-,60.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538517,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]-,30.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538518,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538519,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538520,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538521,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,60.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538522,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,30.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538523,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538524,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538525,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538526,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,60.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538527,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,30.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538528,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]-,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538529,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538530,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538531,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,60.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538532,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538533,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,45.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538534,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538535,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538536,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]+,60.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538537,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538538,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]+,45.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538539,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]+,60.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538540,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538541,COc1c(O)cc2c(c1)CC[n+]1c-2cc2ccc(OC)c(OC)c2c1,338.13869,[M]+,45.0,test,COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
538542,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538543,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538544,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,60.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538545,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538546,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,45.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538547,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,60.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538548,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,20.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538549,COc1c(O)cc2CC[n+]3c(cc4ccc(OC)c(OC)c4c3)-c2c1,338.13869,[M]+,45.0,test,COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
538550,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,467.08312,[M-H]-,20.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538551,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,467.08312,[M-H]-,20.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538552,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,467.08312,[M-H]-,60.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538553,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,467.08312,[M-H]-,20.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538554,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,467.08312,[M-H]-,45.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538555,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,467.08312,[M-H]-,60.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538556,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,467.08312,[M-H]-,20.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538557,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,467.08312,[M-H]-,45.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538558,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,469.09767,[M+H]+,20.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538559,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,469.09767,[M+H]+,20.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538560,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,469.09767,[M+H]+,60.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538561,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,469.09767,[M+H]+,15.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538562,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,469.09767,[M+H]+,20.0,test,O=C(OC[C@H]1OC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
538563,COc1c(OC)cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1,389.12309,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC
538564,COc1c(OC)cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1,389.12309,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC
538565,COc1c(OC)cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1,389.12309,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC
538566,COc1c(OC)cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1,389.12309,[M+H]+,45.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC
538567,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,389.12309,[M+H]+,20.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538568,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,389.12309,[M+H]+,20.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538569,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,389.12309,[M+H]+,60.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538570,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,389.12309,[M+H]+,30.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538571,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,389.12309,[M+H]+,20.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538572,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,389.12309,[M+H]+,60.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538573,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,389.12309,[M+H]+,30.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538574,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,389.12309,[M+H]+,20.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538575,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,411.10504,[M+Na]+,20.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538576,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,411.10504,[M+Na]+,20.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538577,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,411.10504,[M+Na]+,20.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538578,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,411.10504,[M+Na]+,45.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538579,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,411.10504,[M+Na]+,20.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538580,C/C=C/c1c(OC)c(=O)c(C(=O)c2c(C(=O)OC)cc(OC)cc2OC)co1,411.10504,[M+Na]+,45.0,test,C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC
538581,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,387.10854,[M-H]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538582,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,387.10854,[M-H]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538583,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,387.10854,[M-H]-,60.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538584,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,387.10854,[M-H]-,30.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538585,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,387.10854,[M-H]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538586,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,387.10854,[M-H]-,60.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538587,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,387.10854,[M-H]-,30.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538588,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,387.10854,[M-H]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538589,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,423.08522,[M+Cl]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538590,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,423.08522,[M+Cl]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538591,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,423.08522,[M+Cl]-,60.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538592,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,423.08522,[M+Cl]-,15.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538593,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,423.08522,[M+Cl]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538594,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,433.11402,[M+FA]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538595,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,433.11402,[M+FA]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538596,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,433.11402,[M+FA]-,60.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538597,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,433.11402,[M+FA]-,15.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538598,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1,433.11402,[M+FA]-,20.0,test,CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
538599,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,433.11402,[M+FA]-,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538600,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,433.11402,[M+FA]-,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538601,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,433.11402,[M+FA]-,60.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538602,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,433.11402,[M+FA]-,30.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538603,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,433.11402,[M+FA]-,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538604,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,433.11402,[M+FA]-,60.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538605,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,433.11402,[M+FA]-,30.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538606,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,433.11402,[M+FA]-,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538607,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,389.12309,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538608,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,389.12309,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538609,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,389.12309,[M+H]+,45.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538610,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,389.12309,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538611,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,389.12309,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538612,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,389.12309,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538613,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,389.12309,[M+H]+,45.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538614,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O,389.12309,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O
538615,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,389.12309,[M+H]+,20.0,test,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
538616,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,389.12309,[M+H]+,20.0,test,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
538617,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,389.12309,[M+H]+,45.0,test,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
538618,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,389.12309,[M+H]+,60.0,test,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
538619,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,389.12309,[M+H]+,20.0,test,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
538620,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,389.12309,[M+H]+,45.0,test,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
538621,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,389.12309,[M+H]+,60.0,test,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
538622,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,389.12309,[M+H]+,20.0,test,COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
538623,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1,441.1033,[M+H]+,20.0,test,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1
538624,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1,441.1033,[M+H]+,20.0,test,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1
538625,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1,441.1033,[M+H]+,60.0,test,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1
538626,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1,441.1033,[M+H]+,30.0,test,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1
538627,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1,441.1033,[M+H]+,20.0,test,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1
538628,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1,441.1033,[M+H]+,60.0,test,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1
538629,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1,441.1033,[M+H]+,30.0,test,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1
538630,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1,441.1033,[M+H]+,20.0,test,O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1
538631,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,464.09649,[M-H]-,20.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538632,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,464.09649,[M-H]-,20.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538633,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,464.09649,[M-H]-,60.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538634,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,464.09649,[M-H]-,15.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538635,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,464.09649,[M-H]-,20.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538636,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,464.09649,[M-H]-,60.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538637,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,464.09649,[M-H]-,15.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538638,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,464.09649,[M-H]-,20.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538639,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,466.11104,[M+H]+,20.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538640,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,466.11104,[M+H]+,20.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538641,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,466.11104,[M+H]+,60.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538642,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,466.11104,[M+H]+,30.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538643,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,466.11104,[M+H]+,20.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538644,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,466.11104,[M+H]+,60.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538645,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,466.11104,[M+H]+,30.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538646,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncncc2)cc1Cl,466.11104,[M+H]+,20.0,test,Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
538647,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,341.14152,[M+H]+,20.0,test,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
538648,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,341.14152,[M+H]+,20.0,test,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
538649,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,341.14152,[M+H]+,60.0,test,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
538650,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,341.14152,[M+H]+,15.0,test,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
538651,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,341.14152,[M+H]+,20.0,test,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
538652,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,341.14152,[M+H]+,60.0,test,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
538653,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,341.14152,[M+H]+,15.0,test,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
538654,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,341.14152,[M+H]+,20.0,test,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
538655,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538656,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538657,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,60.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538658,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,30.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538659,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538660,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538661,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538662,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,60.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538663,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,15.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538664,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538665,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538666,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538667,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,60.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538668,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,30.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538669,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538670,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538671,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,30.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538672,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,339.12696,[M-H]-,60.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538673,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,385.13244,[M+FA]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538674,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,385.13244,[M+FA]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538675,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,385.13244,[M+FA]-,60.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538676,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,385.13244,[M+FA]-,15.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538677,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,385.13244,[M+FA]-,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538678,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538679,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538680,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,60.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538681,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,15.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538682,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,341.14152,[M+H]+,20.0,test,CC(C)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
538683,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1,341.14152,[M+H]+,20.0,test,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1
538684,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1,341.14152,[M+H]+,20.0,test,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1
538685,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1,341.14152,[M+H]+,60.0,test,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1
538686,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1,341.14152,[M+H]+,30.0,test,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1
538687,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1,341.14152,[M+H]+,20.0,test,O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1
538688,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,371.11679,[M-H]-,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538689,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,371.11679,[M-H]-,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538690,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,371.11679,[M-H]-,60.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538691,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,371.11679,[M-H]-,30.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538692,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,371.11679,[M-H]-,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538693,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,371.11679,[M-H]-,30.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538694,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,371.11679,[M-H]-,60.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538695,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,371.11679,[M-H]-,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538696,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,417.12227,[M+FA]-,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538697,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,417.12227,[M+FA]-,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538698,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,417.12227,[M+FA]-,60.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538699,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,417.12227,[M+FA]-,15.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538700,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,417.12227,[M+FA]-,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538701,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,373.13135,[M+H]+,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538702,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,373.13135,[M+H]+,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538703,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,373.13135,[M+H]+,45.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538704,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,373.13135,[M+H]+,60.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538705,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,373.13135,[M+H]+,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538706,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,373.13135,[M+H]+,45.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538707,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,373.13135,[M+H]+,60.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538708,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O,373.13135,[M+H]+,20.0,test,Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O
538709,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1,373.13135,[M+H]+,20.0,test,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
538710,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1,373.13135,[M+H]+,20.0,test,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
538711,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1,373.13135,[M+H]+,45.0,test,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
538712,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1,373.13135,[M+H]+,60.0,test,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
538713,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1,373.13135,[M+H]+,20.0,test,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
538714,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1,373.13135,[M+H]+,45.0,test,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
538715,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1,373.13135,[M+H]+,60.0,test,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
538716,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1,373.13135,[M+H]+,20.0,test,COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
538717,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538718,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538719,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,60.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538720,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,15.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538721,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538722,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,60.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538723,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,15.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538724,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538725,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538726,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538727,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,60.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538728,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,15.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538729,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538730,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,60.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538731,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,15.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538732,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2)OCO3)CC1,389.12626,[M+H]+,20.0,test,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
538733,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,433.11719,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538734,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,433.11719,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538735,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,433.11719,[M+FA]-,60.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538736,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,433.11719,[M+FA]-,15.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538737,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,433.11719,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538738,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,433.11719,[M+FA]-,15.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538739,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,433.11719,[M+FA]-,60.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538740,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,433.11719,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538741,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1,389.12626,[M+H]+,20.0,test,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1
538742,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1,389.12626,[M+H]+,20.0,test,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1
538743,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1,389.12626,[M+H]+,60.0,test,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1
538744,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1,389.12626,[M+H]+,15.0,test,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1
538745,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1,389.12626,[M+H]+,20.0,test,O=C(C1COc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1
538746,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,389.12626,[M+H]+,20.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538747,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,389.12626,[M+H]+,20.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538748,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,389.12626,[M+H]+,60.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538749,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,389.12626,[M+H]+,30.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538750,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1,389.12626,[M+H]+,20.0,test,CCOc1ccc(CC(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
538751,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1,449.08672,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
538752,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1,449.08672,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
538753,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1,449.08672,[M+H]+,60.0,test,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
538754,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1,449.08672,[M+H]+,15.0,test,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
538755,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1,449.08672,[M+H]+,20.0,test,COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
538756,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,447.08993,[M-H]-,20.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538757,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,447.08993,[M-H]-,20.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538758,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,447.08993,[M-H]-,60.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538759,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,447.08993,[M-H]-,30.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538760,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,447.08993,[M-H]-,20.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538761,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,449.10448,[M+H]+,20.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538762,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,449.10448,[M+H]+,20.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538763,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,449.10448,[M+H]+,60.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538764,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,449.10448,[M+H]+,20.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538765,COc1c(S(=O)(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc(Cl)cc1,449.10448,[M+H]+,45.0,test,COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
538766,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1,449.10448,[M+H]+,20.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1
538767,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1,449.10448,[M+H]+,20.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1
538768,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1,449.10448,[M+H]+,45.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1
538769,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1,449.10448,[M+H]+,60.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1
538770,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1,449.10448,[M+H]+,20.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1
538771,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1,449.10448,[M+H]+,45.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1
538772,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1,449.10448,[M+H]+,60.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1
538773,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1,449.10448,[M+H]+,20.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1
538774,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,425.11522,[M-H]-,20.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538775,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,425.11522,[M-H]-,20.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538776,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,425.11522,[M-H]-,75.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538777,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,425.11522,[M-H]-,60.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538778,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,425.11522,[M-H]-,20.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538779,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,427.12977,[M+H]+,20.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538780,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,427.12977,[M+H]+,20.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538781,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,427.12977,[M+H]+,45.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538782,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,427.12977,[M+H]+,60.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538783,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,427.12977,[M+H]+,20.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538784,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,427.12977,[M+H]+,45.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538785,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,427.12977,[M+H]+,60.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538786,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1,427.12977,[M+H]+,20.0,test,O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1
538787,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,441.11014,[M-H]-,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538788,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,441.11014,[M-H]-,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538789,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,441.11014,[M-H]-,45.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538790,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,441.11014,[M-H]-,60.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538791,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,441.11014,[M-H]-,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538792,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,441.11014,[M-H]-,45.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538793,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,441.11014,[M-H]-,60.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538794,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,441.11014,[M-H]-,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538795,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,477.08681,[M+Cl]-,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538796,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,477.08681,[M+Cl]-,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538797,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,477.08681,[M+Cl]-,60.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538798,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,477.08681,[M+Cl]-,15.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538799,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,477.08681,[M+Cl]-,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538800,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,443.12469,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538801,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,443.12469,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538802,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,443.12469,[M+H]+,45.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538803,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,443.12469,[M+H]+,60.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538804,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,443.12469,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538805,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,443.12469,[M+H]+,60.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538806,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1,443.12469,[M+H]+,45.0,test,CCOc1ccc(N2CC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1
538807,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2,421.1228,[M+H]+,20.0,test,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2
538808,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2,421.1228,[M+H]+,20.0,test,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2
538809,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2,421.1228,[M+H]+,45.0,test,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2
538810,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2,421.1228,[M+H]+,60.0,test,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2
538811,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2,421.1228,[M+H]+,20.0,test,O=C(COc1ccccc1)N1CC2CN(S(=O)(=O)c3ccc(F)cc3)CC(C1)O2
538812,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F,357.14314,[M+H]+,20.0,test,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F
538813,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F,357.14314,[M+H]+,20.0,test,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F
538814,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F,357.14314,[M+H]+,60.0,test,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F
538815,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F,357.14314,[M+H]+,15.0,test,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F
538816,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F,357.14314,[M+H]+,20.0,test,Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F
538817,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,318.16119,[M-H]-,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538818,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,318.16119,[M-H]-,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538819,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,318.16119,[M-H]-,60.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538820,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,318.16119,[M-H]-,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538821,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,318.16119,[M-H]-,45.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538822,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,318.16119,[M-H]-,60.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538823,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,318.16119,[M-H]-,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538824,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,318.16119,[M-H]-,45.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538825,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,354.13786,[M+Cl]-,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538826,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,354.13786,[M+Cl]-,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538827,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,354.13786,[M+Cl]-,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538828,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1,320.17574,[M+H]+,20.0,test,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1
538829,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1,320.17574,[M+H]+,20.0,test,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1
538830,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1,320.17574,[M+H]+,60.0,test,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1
538831,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1,320.17574,[M+H]+,20.0,test,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1
538832,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1,320.17574,[M+H]+,45.0,test,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1
538833,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1,320.17574,[M+H]+,60.0,test,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1
538834,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1,320.17574,[M+H]+,20.0,test,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1
538835,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1,320.17574,[M+H]+,45.0,test,Cc1ccc(C(C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1
538836,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,301.15735,[M-H2O]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538837,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,301.15735,[M-H2O]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538838,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,301.15735,[M-H2O]+,60.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538839,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,301.15735,[M-H2O]+,30.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538840,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,301.15735,[M-H2O]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538841,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,320.17574,[M+H]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538842,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,320.17574,[M+H]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538843,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,320.17574,[M+H]+,60.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538844,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,320.17574,[M+H]+,30.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538845,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,320.17574,[M+H]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538846,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,320.17574,[M+H]+,60.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538847,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,320.17574,[M+H]+,30.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538848,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1,320.17574,[M+H]+,20.0,test,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1
538849,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538850,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538851,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,60.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538852,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,15.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538853,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538854,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,60.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538855,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,15.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538856,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538857,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538858,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538859,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,15.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538860,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,60.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538861,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,30.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538862,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538863,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,60.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538864,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
538865,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,30.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538866,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,30.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538867,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538868,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,60.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538869,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,30.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538870,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,354.13786,[M+Cl]-,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538871,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,354.13786,[M+Cl]-,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538872,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,354.13786,[M+Cl]-,60.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538873,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,354.13786,[M+Cl]-,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538874,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538875,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538876,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,60.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538877,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,15.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538878,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538879,O=C(Cc1cccc2ccccc12)NCc1c2CCCCn2nc1,320.17574,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cnn2c1CCCC2
538880,O=C(Cc1cccc2ccccc12)NCc1c2CCCCn2nc1,320.17574,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cnn2c1CCCC2
538881,O=C(Cc1cccc2ccccc12)NCc1c2CCCCn2nc1,320.17574,[M+H]+,60.0,test,O=C(Cc1cccc2ccccc12)NCc1cnn2c1CCCC2
538882,O=C(Cc1cccc2ccccc12)NCc1c2CCCCn2nc1,320.17574,[M+H]+,30.0,test,O=C(Cc1cccc2ccccc12)NCc1cnn2c1CCCC2
538883,O=C(Cc1cccc2ccccc12)NCc1c2CCCCn2nc1,320.17574,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cnn2c1CCCC2
538884,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,20.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
538885,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,20.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
538886,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,60.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
538887,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,20.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
538888,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,60.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
538889,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538890,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538891,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,45.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538892,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,60.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538893,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,318.16119,[M-H]-,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538894,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,318.16119,[M-H]-,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538895,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,318.16119,[M-H]-,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538896,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,318.16119,[M-H]-,60.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538897,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,318.16119,[M-H]-,30.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538898,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,318.16119,[M-H]-,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538899,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,354.13786,[M+Cl]-,15.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538900,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,354.13786,[M+Cl]-,15.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538901,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,364.16666,[M+FA]-,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538902,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,364.16666,[M+FA]-,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538903,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,364.16666,[M+FA]-,60.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538904,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,364.16666,[M+FA]-,15.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538905,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,364.16666,[M+FA]-,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538906,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,364.16666,[M+FA]-,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538907,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,364.16666,[M+FA]-,15.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538908,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,364.16666,[M+FA]-,60.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
538909,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,318.16119,[M-H]-,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538910,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,318.16119,[M-H]-,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538911,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,318.16119,[M-H]-,60.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538912,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,318.16119,[M-H]-,30.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538913,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,318.16119,[M-H]-,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538914,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,318.16119,[M-H]-,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538915,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,318.16119,[M-H]-,30.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538916,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,318.16119,[M-H]-,60.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538917,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,364.16666,[M+FA]-,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538918,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,364.16666,[M+FA]-,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538919,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,364.16666,[M+FA]-,60.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538920,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,364.16666,[M+FA]-,15.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538921,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,364.16666,[M+FA]-,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538922,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,318.16119,[M-H]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538923,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,318.16119,[M-H]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538924,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,318.16119,[M-H]-,60.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538925,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,318.16119,[M-H]-,30.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538926,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,318.16119,[M-H]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538927,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,318.16119,[M-H]-,30.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538928,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,318.16119,[M-H]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538929,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,318.16119,[M-H]-,60.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538930,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,354.13786,[M+Cl]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538931,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,354.13786,[M+Cl]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538932,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,354.13786,[M+Cl]-,15.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538933,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,354.13786,[M+Cl]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538934,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,364.16666,[M+FA]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538935,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,364.16666,[M+FA]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538936,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,364.16666,[M+FA]-,60.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538937,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,364.16666,[M+FA]-,15.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538938,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,364.16666,[M+FA]-,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538939,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1,320.17574,[M+H]+,20.0,test,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1
538940,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1,320.17574,[M+H]+,20.0,test,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1
538941,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1,320.17574,[M+H]+,60.0,test,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1
538942,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1,320.17574,[M+H]+,30.0,test,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1
538943,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1,320.17574,[M+H]+,20.0,test,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1
538944,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1,320.17574,[M+H]+,60.0,test,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1
538945,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1,320.17574,[M+H]+,30.0,test,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1
538946,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1,320.17574,[M+H]+,20.0,test,Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1
538947,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538948,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538949,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,45.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538950,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,60.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538951,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538952,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,20.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538953,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,60.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538954,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,320.17574,[M+H]+,45.0,test,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
538955,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21,320.17574,[M+H]+,30.0,test,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
538956,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21,320.17574,[M+H]+,30.0,test,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
538957,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21,320.17574,[M+H]+,20.0,test,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
538958,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21,320.17574,[M+H]+,60.0,test,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
538959,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21,320.17574,[M+H]+,30.0,test,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
538960,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21,320.17574,[M+H]+,45.0,test,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
538961,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21,320.17574,[M+H]+,60.0,test,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
538962,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21,320.17574,[M+H]+,20.0,test,Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
538963,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1,320.17574,[M+H]+,20.0,test,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1
538964,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1,320.17574,[M+H]+,20.0,test,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1
538965,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1,320.17574,[M+H]+,45.0,test,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1
538966,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1,320.17574,[M+H]+,60.0,test,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1
538967,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1,320.17574,[M+H]+,20.0,test,Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1
538968,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21,320.17574,[M+H]+,20.0,test,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21
538969,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21,320.17574,[M+H]+,20.0,test,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21
538970,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21,320.17574,[M+H]+,60.0,test,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21
538971,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21,320.17574,[M+H]+,30.0,test,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21
538972,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21,320.17574,[M+H]+,20.0,test,CCn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21
538973,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,320.17574,[M+H]+,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538974,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,320.17574,[M+H]+,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538975,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,320.17574,[M+H]+,45.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538976,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,320.17574,[M+H]+,60.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538977,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,320.17574,[M+H]+,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538978,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,320.17574,[M+H]+,45.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538979,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,320.17574,[M+H]+,60.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538980,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O,320.17574,[M+H]+,20.0,test,Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CC(C)O
538981,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,320.17574,[M+H]+,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538982,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,320.17574,[M+H]+,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538983,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,320.17574,[M+H]+,45.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538984,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,320.17574,[M+H]+,60.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538985,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,320.17574,[M+H]+,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538986,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,320.17574,[M+H]+,45.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538987,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,320.17574,[M+H]+,60.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538988,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,320.17574,[M+H]+,20.0,test,O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
538989,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1,320.17574,[M+H]+,45.0,test,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
538990,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1,320.17574,[M+H]+,45.0,test,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
538991,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1,320.17574,[M+H]+,45.0,test,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
538992,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1,320.17574,[M+H]+,20.0,test,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
538993,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1,320.17574,[M+H]+,60.0,test,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
538994,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1,320.17574,[M+H]+,60.0,test,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
538995,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1,320.17574,[M+H]+,45.0,test,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
538996,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1,320.17574,[M+H]+,20.0,test,Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
538997,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,20.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
538998,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,20.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
538999,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,60.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
539000,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,20.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
539001,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,60.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
539002,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,320.17574,[M+H]+,20.0,test,COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
539003,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1,320.17574,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1
539004,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1,320.17574,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1
539005,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1,320.17574,[M+H]+,60.0,test,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1
539006,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1,320.17574,[M+H]+,30.0,test,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1
539007,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1,320.17574,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1
539008,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1,320.17574,[M+H]+,60.0,test,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1
539009,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1,320.17574,[M+H]+,30.0,test,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1
539010,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1,320.17574,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1
539011,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1,320.17574,[M+H]+,20.0,test,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1
539012,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1,320.17574,[M+H]+,20.0,test,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1
539013,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1,320.17574,[M+H]+,60.0,test,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1
539014,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1,320.17574,[M+H]+,30.0,test,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1
539015,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1,320.17574,[M+H]+,20.0,test,CCn1cc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1
539016,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1,320.17574,[M+H]+,20.0,test,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1
539017,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1,320.17574,[M+H]+,20.0,test,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1
539018,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1,320.17574,[M+H]+,45.0,test,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1
539019,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1,320.17574,[M+H]+,60.0,test,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1
539020,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1,320.17574,[M+H]+,20.0,test,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1
539021,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1,320.17574,[M+H]+,45.0,test,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1
539022,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1,320.17574,[M+H]+,20.0,test,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1
539023,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1,320.17574,[M+H]+,60.0,test,O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1
539024,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1,320.17574,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1
539025,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1,320.17574,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1
539026,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1,320.17574,[M+H]+,45.0,test,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1
539027,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1,320.17574,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1
539028,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1,320.17574,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1
539029,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1,320.17574,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1
539030,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1,320.17574,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1
539031,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1,320.17574,[M+H]+,45.0,test,Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3ccccc3)cc2)n1
539032,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
539033,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
539034,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,320.17574,[M+H]+,60.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
539035,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,320.17574,[M+H]+,30.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
539036,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
539037,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,320.17574,[M+H]+,60.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
539038,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,320.17574,[M+H]+,30.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
539039,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1,320.17574,[M+H]+,20.0,test,O=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
539040,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1,380.17172,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1
539041,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1,380.17172,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1
539042,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1,380.17172,[M+H]+,60.0,test,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1
539043,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1,380.17172,[M+H]+,30.0,test,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1
539044,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1,380.17172,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1
539045,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1,380.17172,[M+H]+,60.0,test,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1
539046,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1,380.17172,[M+H]+,30.0,test,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1
539047,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1,380.17172,[M+H]+,20.0,test,COc1ccc(C2CCN(C(=O)CCc3nc(-c4ncccn4)no3)C2)cc1
539048,O=C(Cn1nc2CCCCCn2c1=O)Nc1c(Oc2ccccc2)ccnc1,380.17172,[M+H]+,20.0,test,O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1
539049,O=C(Cn1nc2CCCCCn2c1=O)Nc1c(Oc2ccccc2)ccnc1,380.17172,[M+H]+,20.0,test,O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1
539050,O=C(Cn1nc2CCCCCn2c1=O)Nc1c(Oc2ccccc2)ccnc1,380.17172,[M+H]+,60.0,test,O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1
539051,O=C(Cn1nc2CCCCCn2c1=O)Nc1c(Oc2ccccc2)ccnc1,380.17172,[M+H]+,20.0,test,O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1
539052,O=C(Cn1nc2CCCCCn2c1=O)Nc1c(Oc2ccccc2)ccnc1,380.17172,[M+H]+,45.0,test,O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1
539053,O=C(Cn1nc2CCCCCn2c1=O)Nc1c(Oc2ccccc2)ccnc1,380.17172,[M+H]+,60.0,test,O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1
539054,O=C(Cn1nc2CCCCCn2c1=O)Nc1c(Oc2ccccc2)ccnc1,380.17172,[M+H]+,20.0,test,O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1
539055,O=C(Cn1nc2CCCCCn2c1=O)Nc1c(Oc2ccccc2)ccnc1,380.17172,[M+H]+,45.0,test,O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1
539056,CC(C)N(Cc1ccccn1)C(=O)c1cc2c(nc1)n(C1CC1)c(=O)[nH]c2=O,380.17172,[M+H]+,20.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
539057,CC(C)N(Cc1ccccn1)C(=O)c1cc2c(nc1)n(C1CC1)c(=O)[nH]c2=O,380.17172,[M+H]+,20.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
539058,CC(C)N(Cc1ccccn1)C(=O)c1cc2c(nc1)n(C1CC1)c(=O)[nH]c2=O,380.17172,[M+H]+,60.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
539059,CC(C)N(Cc1ccccn1)C(=O)c1cc2c(nc1)n(C1CC1)c(=O)[nH]c2=O,380.17172,[M+H]+,30.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
539060,CC(C)N(Cc1ccccn1)C(=O)c1cc2c(nc1)n(C1CC1)c(=O)[nH]c2=O,380.17172,[M+H]+,20.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
539061,CC(C)N(Cc1ccccn1)C(=O)c1cc2c(nc1)n(C1CC1)c(=O)[nH]c2=O,380.17172,[M+H]+,60.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
539062,CC(C)N(Cc1ccccn1)C(=O)c1cc2c(nc1)n(C1CC1)c(=O)[nH]c2=O,380.17172,[M+H]+,30.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
539063,CC(C)N(Cc1ccccn1)C(=O)c1cc2c(nc1)n(C1CC1)c(=O)[nH]c2=O,380.17172,[M+H]+,20.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
539064,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,378.15716,[M-H]-,20.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539065,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,378.15716,[M-H]-,20.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539066,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,378.15716,[M-H]-,60.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539067,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,378.15716,[M-H]-,30.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539068,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,378.15716,[M-H]-,20.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539069,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,378.15716,[M-H]-,60.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539070,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,378.15716,[M-H]-,30.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539071,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,378.15716,[M-H]-,20.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539072,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,380.17172,[M+H]+,20.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539073,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,380.17172,[M+H]+,20.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539074,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,380.17172,[M+H]+,60.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539075,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,380.17172,[M+H]+,30.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539076,CNC(=O)NC(=O)Cn1c2c(CCC2)c(=O)n2nc(-c3cccc(C)c3)cc12,380.17172,[M+H]+,20.0,test,CNC(=O)NC(=O)Cn1c2c(c(=O)n3nc(-c4cccc(C)c4)cc13)CCC2
539077,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1,380.17172,[M+H]+,20.0,test,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1
539078,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1,380.17172,[M+H]+,20.0,test,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1
539079,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1,380.17172,[M+H]+,60.0,test,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1
539080,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1,380.17172,[M+H]+,15.0,test,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1
539081,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1,380.17172,[M+H]+,20.0,test,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1
539082,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1,380.17172,[M+H]+,60.0,test,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1
539083,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1,380.17172,[M+H]+,20.0,test,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1
539084,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1,380.17172,[M+H]+,15.0,test,COc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1
539085,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539086,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539087,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,60.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539088,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539089,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539090,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539091,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539092,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,60.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539093,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539094,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539095,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,20.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539096,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,20.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539097,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,60.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539098,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,30.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539099,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,20.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539100,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,426.14191,[M-H]-,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539101,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,426.14191,[M-H]-,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539102,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,426.14191,[M-H]-,60.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539103,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,426.14191,[M-H]-,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539104,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,426.14191,[M-H]-,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539105,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,426.14191,[M-H]-,60.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539106,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,426.14191,[M-H]-,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539107,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,426.14191,[M-H]-,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539108,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,426.14191,[M-H]-,20.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539109,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,426.14191,[M-H]-,20.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539110,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,426.14191,[M-H]-,60.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539111,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,426.14191,[M-H]-,30.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539112,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,426.14191,[M-H]-,20.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539113,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,30.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539114,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,30.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539115,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,20.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539116,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,60.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539117,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1,428.15646,[M+H]+,30.0,test,NC1=NC(=O)C2C(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN=C2N1
539118,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539119,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539120,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,60.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539121,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539122,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539123,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,427.14863,[M]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539124,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,427.14863,[M]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539125,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,427.14863,[M]+,60.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539126,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,427.14863,[M]+,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539127,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,427.14863,[M]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539128,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539129,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539130,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,60.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539131,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539132,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539133,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,60.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539134,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,30.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539135,Nc1nc(=O)c2c([nH]cc2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,428.15646,[M+H]+,20.0,test,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
539136,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,429.11983,[M-H]-,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539137,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,429.11983,[M-H]-,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539138,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,429.11983,[M-H]-,60.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539139,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,429.11983,[M-H]-,30.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539140,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,429.11983,[M-H]-,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539141,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,429.11983,[M-H]-,60.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539142,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,429.11983,[M-H]-,30.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539143,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,429.11983,[M-H]-,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539144,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,465.09651,[M+Cl]-,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539145,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,465.09651,[M+Cl]-,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539146,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,465.09651,[M+Cl]-,60.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539147,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,465.09651,[M+Cl]-,15.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539148,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,465.09651,[M+Cl]-,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539149,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,431.13438,[M+H]+,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539150,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,431.13438,[M+H]+,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539151,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,431.13438,[M+H]+,60.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539152,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,431.13438,[M+H]+,30.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539153,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,431.13438,[M+H]+,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539154,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,431.13438,[M+H]+,60.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539155,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,431.13438,[M+H]+,30.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539156,CCOc1c(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2)c(OCCN(C)C)ccc1,431.13438,[M+H]+,20.0,test,CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
539157,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,472.11595,[M-H]-,20.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539158,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,472.11595,[M-H]-,20.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539159,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,472.11595,[M-H]-,45.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539160,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,472.11595,[M-H]-,60.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539161,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,472.11595,[M-H]-,20.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539162,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,508.09263,[M+Cl]-,20.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539163,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,508.09263,[M+Cl]-,20.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539164,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,508.09263,[M+Cl]-,60.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539165,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,508.09263,[M+Cl]-,15.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539166,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,508.09263,[M+Cl]-,20.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539167,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,518.12143,[M+FA]-,20.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539168,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C,518.12143,[M+FA]-,60.0,test,CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)cn1C
539169,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,416.16272,[M+FA]-,20.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539170,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,416.16272,[M+FA]-,20.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539171,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,416.16272,[M+FA]-,60.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539172,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,416.16272,[M+FA]-,15.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539173,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,416.16272,[M+FA]-,20.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539174,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,370.15724,[M-H]-,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539175,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,370.15724,[M-H]-,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539176,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,370.15724,[M-H]-,60.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539177,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,370.15724,[M-H]-,30.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539178,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,370.15724,[M-H]-,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539179,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,416.16272,[M+FA]-,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539180,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,416.16272,[M+FA]-,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539181,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,416.16272,[M+FA]-,60.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539182,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,416.16272,[M+FA]-,15.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539183,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,416.16272,[M+FA]-,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539184,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,416.16272,[M+FA]-,60.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539185,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,416.16272,[M+FA]-,15.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539186,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,416.16272,[M+FA]-,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539187,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,372.1718,[M+H]+,20.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539188,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,372.1718,[M+H]+,20.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539189,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,372.1718,[M+H]+,60.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539190,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,372.1718,[M+H]+,15.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539191,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,372.1718,[M+H]+,20.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539192,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,372.1718,[M+H]+,60.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539193,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,372.1718,[M+H]+,15.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539194,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cc(F)ccc1,372.1718,[M+H]+,20.0,test,CC(C)(NCC(O)Cn1c(-c2ccccc2)noc1=O)c1cccc(F)c1
539195,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,372.1718,[M+H]+,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539196,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,372.1718,[M+H]+,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539197,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,372.1718,[M+H]+,60.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539198,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,372.1718,[M+H]+,30.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539199,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,372.1718,[M+H]+,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539200,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,372.1718,[M+H]+,60.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539201,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,372.1718,[M+H]+,30.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539202,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3c(cc(F)cc3)C2)cc1C,372.1718,[M+H]+,20.0,test,CC(=O)Nc1c(C)cc(NC(=O)NC2COc3ccc(F)cc3C2)cc1C
539203,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cc(F)ccc2)CC1,372.1718,[M+H]+,20.0,test,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1
539204,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cc(F)ccc2)CC1,372.1718,[M+H]+,20.0,test,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1
539205,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cc(F)ccc2)CC1,372.1718,[M+H]+,30.0,test,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1
539206,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cc(F)ccc2)CC1,372.1718,[M+H]+,60.0,test,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1
539207,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cc(F)ccc2)CC1,372.1718,[M+H]+,15.0,test,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1
539208,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cc(F)ccc2)CC1,372.1718,[M+H]+,20.0,test,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1
539209,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cc(F)ccc2)CC1,372.1718,[M+H]+,60.0,test,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1
539210,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cc(F)ccc2)CC1,372.1718,[M+H]+,20.0,test,COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1
539211,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c2CCCCc2no1,372.1718,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
539212,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c2CCCCc2no1,372.1718,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
539213,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c2CCCCc2no1,372.1718,[M+H]+,60.0,test,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
539214,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c2CCCCc2no1,372.1718,[M+H]+,30.0,test,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
539215,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c2CCCCc2no1,372.1718,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
539216,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c2CCCCc2no1,372.1718,[M+H]+,60.0,test,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
539217,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c2CCCCc2no1,372.1718,[M+H]+,30.0,test,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
539218,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c2CCCCc2no1,372.1718,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
539219,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1,372.1718,[M+H]+,20.0,test,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1
539220,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1,372.1718,[M+H]+,20.0,test,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1
539221,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1,372.1718,[M+H]+,60.0,test,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1
539222,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1,372.1718,[M+H]+,30.0,test,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1
539223,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1,372.1718,[M+H]+,20.0,test,COc1ccccc1C(=O)N1CC2CCCC2(COc2ncc(F)cn2)C1
539224,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1,372.1718,[M+H]+,20.0,test,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1
539225,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1,372.1718,[M+H]+,20.0,test,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1
539226,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1,372.1718,[M+H]+,30.0,test,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1
539227,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1,372.1718,[M+H]+,60.0,test,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1
539228,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1,372.1718,[M+H]+,20.0,test,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1
539229,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1,372.1718,[M+H]+,45.0,test,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1
539230,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1,372.1718,[M+H]+,60.0,test,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1
539231,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1,372.1718,[M+H]+,20.0,test,O=C(c1ccnc(OC2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1
539232,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539233,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539234,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539235,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539236,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539237,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539238,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539239,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539240,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539241,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539242,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539243,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539244,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539245,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539246,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539247,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539248,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539249,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539250,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539251,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539252,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539253,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539254,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539255,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539256,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539257,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539258,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539259,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539260,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539261,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539262,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539263,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539264,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539265,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539266,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539267,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539268,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539269,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539270,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539271,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539272,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539273,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539274,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539275,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539276,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539277,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539278,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539279,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539280,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539281,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539282,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539283,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539284,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539285,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,30.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539286,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,433.1075,[M-H]-,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539287,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539288,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539289,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539290,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539291,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539292,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539293,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539294,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539295,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539296,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539297,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539298,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539299,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539300,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,60.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539301,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,15.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539302,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,435.12205,[M+H]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539303,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,457.10399,[M+Na]+,20.0,test,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
539304,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,333.17208,[M-H]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539305,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,333.17208,[M-H]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539306,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,333.17208,[M-H]-,60.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539307,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,333.17208,[M-H]-,30.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539308,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,333.17208,[M-H]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539309,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,333.17208,[M-H]-,60.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539310,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,333.17208,[M-H]-,30.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539311,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,333.17208,[M-H]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539312,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,369.14876,[M+Cl]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539313,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,369.14876,[M+Cl]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539314,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,369.14876,[M+Cl]-,60.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539315,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,369.14876,[M+Cl]-,30.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539316,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,369.14876,[M+Cl]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539317,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,379.17756,[M+FA]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539318,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,379.17756,[M+FA]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539319,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,379.17756,[M+FA]-,60.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539320,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,379.17756,[M+FA]-,15.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539321,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,379.17756,[M+FA]-,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539322,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,333.17208,[M-H]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539323,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,333.17208,[M-H]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539324,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,333.17208,[M-H]-,60.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539325,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,333.17208,[M-H]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539326,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,333.17208,[M-H]-,45.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539327,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,379.17756,[M+FA]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539328,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,379.17756,[M+FA]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539329,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,379.17756,[M+FA]-,60.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539330,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,379.17756,[M+FA]-,15.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539331,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,379.17756,[M+FA]-,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539332,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,379.17756,[M+FA]-,20.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539333,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,379.17756,[M+FA]-,20.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539334,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,379.17756,[M+FA]-,60.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539335,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,379.17756,[M+FA]-,15.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539336,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,379.17756,[M+FA]-,20.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539337,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,333.17208,[M-H]-,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539338,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,333.17208,[M-H]-,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539339,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,333.17208,[M-H]-,60.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539340,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,333.17208,[M-H]-,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539341,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,333.17208,[M-H]-,45.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539342,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,333.17208,[M-H]-,60.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539343,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,333.17208,[M-H]-,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539344,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,333.17208,[M-H]-,45.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539345,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,379.17756,[M+FA]-,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539346,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,379.17756,[M+FA]-,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539347,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,379.17756,[M+FA]-,60.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539348,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,379.17756,[M+FA]-,15.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539349,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,379.17756,[M+FA]-,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539350,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,335.18664,[M+H]+,20.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539351,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,335.18664,[M+H]+,20.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539352,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,335.18664,[M+H]+,60.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539353,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,335.18664,[M+H]+,20.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539354,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,335.18664,[M+H]+,45.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539355,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,335.18664,[M+H]+,60.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539356,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,335.18664,[M+H]+,20.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539357,CCCN(C(=O)c1cn2cnnc2cc1)C1CCc2ccccc2C1,335.18664,[M+H]+,45.0,test,CCCN(C(=O)c1ccc2nncn2c1)C1CCc2ccccc2C1
539358,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1,335.18664,[M+H]+,20.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1
539359,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1,335.18664,[M+H]+,20.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1
539360,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1,335.18664,[M+H]+,60.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1
539361,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1,335.18664,[M+H]+,30.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1
539362,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1,335.18664,[M+H]+,20.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1
539363,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1,335.18664,[M+H]+,60.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1
539364,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1,335.18664,[M+H]+,30.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1
539365,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1,335.18664,[M+H]+,20.0,test,CC(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2ccnc2)c1
539366,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1,335.18664,[M+H]+,20.0,test,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1
539367,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1,335.18664,[M+H]+,20.0,test,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1
539368,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1,335.18664,[M+H]+,60.0,test,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1
539369,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1,335.18664,[M+H]+,30.0,test,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1
539370,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1,335.18664,[M+H]+,20.0,test,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1
539371,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1,335.18664,[M+H]+,60.0,test,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1
539372,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1,335.18664,[M+H]+,30.0,test,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1
539373,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1,335.18664,[M+H]+,20.0,test,O=C(Cn1nnc2ccccc21)N1CCCCCC1c1ccccc1
539374,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,335.18664,[M+H]+,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539375,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,335.18664,[M+H]+,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539376,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,335.18664,[M+H]+,60.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539377,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,335.18664,[M+H]+,30.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539378,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,335.18664,[M+H]+,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539379,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,335.18664,[M+H]+,60.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539380,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,335.18664,[M+H]+,30.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539381,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1,335.18664,[M+H]+,20.0,test,O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
539382,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,335.18664,[M+H]+,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539383,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,335.18664,[M+H]+,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539384,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,335.18664,[M+H]+,60.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539385,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,335.18664,[M+H]+,30.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539386,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,335.18664,[M+H]+,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539387,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,335.18664,[M+H]+,60.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539388,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,335.18664,[M+H]+,30.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539389,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1,335.18664,[M+H]+,20.0,test,O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(Cc2ncc[nH]2)CC1
539390,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C,335.18664,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C
539391,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C,335.18664,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C
539392,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C,335.18664,[M+H]+,60.0,test,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C
539393,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C,335.18664,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C
539394,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C,335.18664,[M+H]+,45.0,test,CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C
539395,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,335.18664,[M+H]+,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539396,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,335.18664,[M+H]+,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539397,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,335.18664,[M+H]+,60.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539398,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,335.18664,[M+H]+,30.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539399,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,335.18664,[M+H]+,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539400,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,335.18664,[M+H]+,60.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539401,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,335.18664,[M+H]+,30.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539402,O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCC2CC2)cc1,335.18664,[M+H]+,20.0,test,O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1
539403,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1,335.18664,[M+H]+,20.0,test,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1
539404,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1,335.18664,[M+H]+,20.0,test,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1
539405,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1,335.18664,[M+H]+,60.0,test,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1
539406,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1,335.18664,[M+H]+,15.0,test,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1
539407,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1,335.18664,[M+H]+,20.0,test,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1
539408,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1,335.18664,[M+H]+,60.0,test,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1
539409,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1,335.18664,[M+H]+,15.0,test,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1
539410,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1,335.18664,[M+H]+,20.0,test,CC(C)(C)n1nccc1NC(=O)c1nc2ccccc2cc1C1CC1
539411,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,333.17208,[M-H]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539412,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,333.17208,[M-H]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539413,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,333.17208,[M-H]-,60.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539414,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,333.17208,[M-H]-,30.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539415,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,333.17208,[M-H]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539416,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,369.14876,[M+Cl]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539417,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,369.14876,[M+Cl]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539418,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,369.14876,[M+Cl]-,60.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539419,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,369.14876,[M+Cl]-,15.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539420,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,369.14876,[M+Cl]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539421,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,379.17756,[M+FA]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539422,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,379.17756,[M+FA]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539423,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,379.17756,[M+FA]-,60.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539424,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,379.17756,[M+FA]-,15.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539425,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,379.17756,[M+FA]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539426,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,379.17756,[M+FA]-,60.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539427,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,379.17756,[M+FA]-,15.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539428,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,379.17756,[M+FA]-,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539429,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,335.18664,[M+H]+,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539430,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,335.18664,[M+H]+,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539431,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,335.18664,[M+H]+,60.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539432,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,335.18664,[M+H]+,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539433,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,335.18664,[M+H]+,45.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539434,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,335.18664,[M+H]+,60.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539435,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,335.18664,[M+H]+,20.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539436,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1,335.18664,[M+H]+,45.0,test,N#Cc1ccc(CCC(=O)NCC2CCCN2c2ccccn2)cc1
539437,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,333.17208,[M-H]-,20.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539438,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,333.17208,[M-H]-,20.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539439,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,333.17208,[M-H]-,60.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539440,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,333.17208,[M-H]-,20.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539441,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,333.17208,[M-H]-,20.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539442,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,333.17208,[M-H]-,60.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539443,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,379.17756,[M+FA]-,20.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539444,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,379.17756,[M+FA]-,20.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539445,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,379.17756,[M+FA]-,60.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539446,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,379.17756,[M+FA]-,15.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539447,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,379.17756,[M+FA]-,20.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539448,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,335.18664,[M+H]+,20.0,test,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
539449,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,335.18664,[M+H]+,20.0,test,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
539450,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,335.18664,[M+H]+,45.0,test,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
539451,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,335.18664,[M+H]+,60.0,test,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
539452,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,335.18664,[M+H]+,20.0,test,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
539453,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,335.18664,[M+H]+,60.0,test,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
539454,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,335.18664,[M+H]+,45.0,test,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
539455,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,335.18664,[M+H]+,20.0,test,Cn1cncc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
539456,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1,335.18664,[M+H]+,20.0,test,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
539457,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1,335.18664,[M+H]+,20.0,test,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
539458,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1,335.18664,[M+H]+,60.0,test,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
539459,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1,335.18664,[M+H]+,30.0,test,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
539460,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1,335.18664,[M+H]+,20.0,test,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
539461,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1,335.18664,[M+H]+,60.0,test,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
539462,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1,335.18664,[M+H]+,30.0,test,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
539463,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1,335.18664,[M+H]+,20.0,test,CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
539464,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,20.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539465,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,20.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539466,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,30.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539467,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,60.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539468,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,20.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539469,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,45.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539470,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,60.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539471,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,45.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539472,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,335.18664,[M+H]+,20.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539473,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,357.16858,[M+Na]+,30.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539474,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,357.16858,[M+Na]+,30.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539475,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,357.16858,[M+Na]+,20.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539476,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,357.16858,[M+Na]+,60.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539477,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1,357.16858,[M+Na]+,30.0,test,c1cnc2nc(C3CCN(Cc4cc(C5CC5)on4)CC3)ccc2c1
539478,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1,335.18664,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1
539479,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1,335.18664,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1
539480,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1,335.18664,[M+H]+,60.0,test,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1
539481,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1,335.18664,[M+H]+,30.0,test,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1
539482,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1,335.18664,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1
539483,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1,335.18664,[M+H]+,30.0,test,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1
539484,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1,335.18664,[M+H]+,60.0,test,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1
539485,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1,335.18664,[M+H]+,20.0,test,Cc1cccnc1OCC1CCN(c2ncnc3ccccc23)CC1
539486,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1,335.18664,[M+H]+,20.0,test,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1
539487,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1,335.18664,[M+H]+,20.0,test,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1
539488,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1,335.18664,[M+H]+,45.0,test,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1
539489,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1,335.18664,[M+H]+,60.0,test,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1
539490,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1,335.18664,[M+H]+,20.0,test,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1
539491,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1,335.18664,[M+H]+,60.0,test,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1
539492,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1,335.18664,[M+H]+,20.0,test,Cc1ccccc1CCC(=O)NCc1ccc(-c2cnn(C)c2)nc1
539493,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1,335.18664,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1
539494,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1,335.18664,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1
539495,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1,335.18664,[M+H]+,60.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1
539496,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1,335.18664,[M+H]+,30.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1
539497,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1,335.18664,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1
539498,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1,335.18664,[M+H]+,60.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1
539499,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1,335.18664,[M+H]+,30.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1
539500,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1,335.18664,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1
539501,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1,335.18664,[M+H]+,20.0,test,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1
539502,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1,335.18664,[M+H]+,20.0,test,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1
539503,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1,335.18664,[M+H]+,45.0,test,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1
539504,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1,335.18664,[M+H]+,60.0,test,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1
539505,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1,335.18664,[M+H]+,20.0,test,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1
539506,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1,335.18664,[M+H]+,45.0,test,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1
539507,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1,335.18664,[M+H]+,60.0,test,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1
539508,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1,335.18664,[M+H]+,20.0,test,Cc1ccc(CNc2nnc(N3CCOCC3)c3ccccc23)cc1
539509,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,20.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539510,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,20.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539511,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,60.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539512,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,30.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539513,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,20.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539514,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,45.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539515,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,45.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539516,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,60.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539517,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O,335.18664,[M+H]+,20.0,test,Cn1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1=O
539518,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1,335.18664,[M+H]+,20.0,test,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1
539519,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1,335.18664,[M+H]+,20.0,test,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1
539520,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1,335.18664,[M+H]+,60.0,test,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1
539521,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1,335.18664,[M+H]+,30.0,test,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1
539522,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1,335.18664,[M+H]+,20.0,test,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1
539523,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1,335.18664,[M+H]+,60.0,test,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1
539524,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1,335.18664,[M+H]+,30.0,test,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1
539525,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1,335.18664,[M+H]+,20.0,test,Cc1ccn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2c1
539526,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,335.18664,[M+H]+,20.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539527,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,335.18664,[M+H]+,20.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539528,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,335.18664,[M+H]+,60.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539529,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,335.18664,[M+H]+,20.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539530,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,335.18664,[M+H]+,20.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539531,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1,335.18664,[M+H]+,60.0,test,CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC1CCCO1
539532,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1,335.18664,[M+H]+,20.0,test,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1
539533,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1,335.18664,[M+H]+,20.0,test,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1
539534,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1,335.18664,[M+H]+,60.0,test,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1
539535,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1,335.18664,[M+H]+,15.0,test,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1
539536,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1,335.18664,[M+H]+,20.0,test,Cc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1
539537,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,335.18664,[M+H]+,20.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539538,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,335.18664,[M+H]+,20.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539539,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,335.18664,[M+H]+,45.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539540,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,335.18664,[M+H]+,60.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539541,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1,335.18664,[M+H]+,20.0,test,Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
539542,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1,335.18664,[M+H]+,20.0,test,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1
539543,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1,335.18664,[M+H]+,20.0,test,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1
539544,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1,335.18664,[M+H]+,45.0,test,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1
539545,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1,335.18664,[M+H]+,60.0,test,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1
539546,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1,335.18664,[M+H]+,20.0,test,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1
539547,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1,335.18664,[M+H]+,60.0,test,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1
539548,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1,335.18664,[M+H]+,45.0,test,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1
539549,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1,335.18664,[M+H]+,20.0,test,CCC(C(=O)N1CCc2c(cnc3cc(C)nn23)C1)c1ccccc1
539550,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1,335.18664,[M+H]+,20.0,test,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1
539551,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1,335.18664,[M+H]+,20.0,test,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1
539552,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1,335.18664,[M+H]+,45.0,test,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1
539553,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1,335.18664,[M+H]+,60.0,test,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1
539554,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1,335.18664,[M+H]+,20.0,test,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1
539555,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1,335.18664,[M+H]+,60.0,test,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1
539556,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1,335.18664,[M+H]+,20.0,test,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1
539557,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1,335.18664,[M+H]+,45.0,test,CCC(C(=O)NCc1cc(-c2ccccn2)nn1C)c1ccccc1
539558,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1,335.18664,[M+H]+,20.0,test,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1
539559,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1,335.18664,[M+H]+,20.0,test,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1
539560,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1,335.18664,[M+H]+,45.0,test,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1
539561,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1,335.18664,[M+H]+,60.0,test,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1
539562,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1,335.18664,[M+H]+,20.0,test,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1
539563,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1,335.18664,[M+H]+,45.0,test,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1
539564,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1,335.18664,[M+H]+,60.0,test,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1
539565,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1,335.18664,[M+H]+,20.0,test,Cc1cnc(OCC2CCCN(c3ccnc4ccccc34)C2)nc1
539566,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1,335.18664,[M+H]+,20.0,test,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1
539567,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1,335.18664,[M+H]+,20.0,test,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1
539568,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1,335.18664,[M+H]+,60.0,test,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1
539569,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1,335.18664,[M+H]+,30.0,test,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1
539570,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1,335.18664,[M+H]+,20.0,test,Cc1ccc2nc(C(=O)N3CCN(c4ccccc4C)CC3)cn2c1
539571,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,373.13244,[M-H]-,30.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539572,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,373.13244,[M-H]-,30.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539573,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,373.13244,[M-H]-,60.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539574,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,373.13244,[M-H]-,20.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539575,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,373.13244,[M-H]-,30.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539576,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,419.13792,[M+FA]-,20.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539577,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,419.13792,[M+FA]-,20.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539578,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,419.13792,[M+FA]-,60.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539579,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,419.13792,[M+FA]-,15.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539580,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,419.13792,[M+FA]-,20.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539581,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,375.147,[M+H]+,20.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539582,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,375.147,[M+H]+,20.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539583,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,375.147,[M+H]+,60.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539584,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,375.147,[M+H]+,15.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539585,CC(C(=O)NC1CCc2c1ccc(Cl)c2)N1C(=O)C2CCCCC2C1=O,375.147,[M+H]+,20.0,test,CC(C(=O)NC1CCc2cc(Cl)ccc21)N1C(=O)C2CCCCC2C1=O
539586,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC,375.147,[M+H]+,20.0,test,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC
539587,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC,375.147,[M+H]+,20.0,test,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC
539588,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC,375.147,[M+H]+,60.0,test,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC
539589,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC,375.147,[M+H]+,30.0,test,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC
539590,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC,375.147,[M+H]+,20.0,test,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC
539591,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC,375.147,[M+H]+,60.0,test,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC
539592,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC,375.147,[M+H]+,30.0,test,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC
539593,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC,375.147,[M+H]+,20.0,test,COc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC
539594,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,405.12898,[M-H]-,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539595,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,405.12898,[M-H]-,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539596,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,405.12898,[M-H]-,60.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539597,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,405.12898,[M-H]-,30.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539598,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,405.12898,[M-H]-,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539599,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,451.13446,[M+FA]-,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539600,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,451.13446,[M+FA]-,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539601,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,451.13446,[M+FA]-,60.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539602,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,451.13446,[M+FA]-,15.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539603,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,451.13446,[M+FA]-,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539604,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,407.14353,[M+H]+,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539605,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,407.14353,[M+H]+,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539606,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,407.14353,[M+H]+,60.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539607,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,407.14353,[M+H]+,30.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539608,CCOc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1,407.14353,[M+H]+,20.0,test,CCOc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
539609,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,20.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539610,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,20.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539611,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,60.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539612,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,30.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539613,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,20.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539614,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,60.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539615,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,30.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539616,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,20.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539617,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,20.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539618,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,20.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539619,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,60.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539620,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,20.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539621,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,45.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539622,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,60.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539623,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,20.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539624,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,45.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539625,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,20.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539626,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,20.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539627,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,60.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539628,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,30.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539629,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,20.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539630,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,60.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539631,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,30.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539632,CN(C)CCC=C1c2ccccc2CCc2ccccc12,278.19033,[M+H]+,20.0,test,CN(C)CCC=C1c2ccccc2CCc2ccccc21
539633,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,20.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539634,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,20.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539635,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,60.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539636,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,30.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539637,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,20.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539638,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,60.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539639,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,30.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539640,CNCCCC12CCC(c3ccccc31)c1ccccc12,278.19033,[M+H]+,20.0,test,CNCCCC12CCC(c3ccccc31)c1ccccc12
539641,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,432.10572,[M-H]-,20.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539642,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,432.10572,[M-H]-,20.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539643,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,432.10572,[M-H]-,60.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539644,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,432.10572,[M-H]-,20.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539645,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,432.10572,[M-H]-,45.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539646,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,432.10572,[M-H]-,60.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539647,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,432.10572,[M-H]-,20.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539648,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,432.10572,[M-H]-,45.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539649,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,434.12027,[M+H]+,20.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539650,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,434.12027,[M+H]+,20.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539651,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,434.12027,[M+H]+,60.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539652,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,434.12027,[M+H]+,20.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539653,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,434.12027,[M+H]+,45.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539654,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,434.12027,[M+H]+,60.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539655,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,434.12027,[M+H]+,20.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539656,CC(=O)Nc1nc(C)c(-c2cc3c(C(=O)N([C@@H](C)C4CC4)C3)c(S(C)(=O)=O)c2)s1,434.12027,[M+H]+,45.0,test,CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
539657,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,384.1565,[M-H]-,20.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539658,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,384.1565,[M-H]-,20.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539659,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,384.1565,[M-H]-,60.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539660,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,384.1565,[M-H]-,30.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539661,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,384.1565,[M-H]-,20.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539662,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,386.17105,[M+H]+,20.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539663,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,386.17105,[M+H]+,20.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539664,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,386.17105,[M+H]+,15.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539665,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,386.17105,[M+H]+,60.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539666,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1,386.17105,[M+H]+,20.0,test,COc1ccc(NC(=O)C2CCCN2C(=O)C(C)NC(=O)c2ccco2)cc1
539667,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1,386.17105,[M+H]+,20.0,test,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1
539668,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1,386.17105,[M+H]+,20.0,test,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1
539669,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1,386.17105,[M+H]+,60.0,test,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1
539670,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1,386.17105,[M+H]+,15.0,test,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1
539671,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1,386.17105,[M+H]+,20.0,test,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1
539672,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1,386.17105,[M+H]+,20.0,test,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1
539673,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1,386.17105,[M+H]+,15.0,test,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1
539674,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1,386.17105,[M+H]+,60.0,test,COc1cnc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)nc1
539675,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1,410.19351,[M+H]+,20.0,test,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1
539676,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1,410.19351,[M+H]+,20.0,test,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1
539677,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1,410.19351,[M+H]+,15.0,test,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1
539678,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1,410.19351,[M+H]+,60.0,test,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1
539679,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1,410.19351,[M+H]+,30.0,test,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1
539680,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1,410.19351,[M+H]+,20.0,test,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1
539681,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1,410.19351,[M+H]+,20.0,test,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1
539682,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1,410.19351,[M+H]+,60.0,test,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn5c4OCCC5)CC3)nc2)cn1
539683,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1,374.14205,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1
539684,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1,374.14205,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1
539685,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1,374.14205,[M+H]+,15.0,test,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1
539686,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1,374.14205,[M+H]+,60.0,test,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1
539687,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1,374.14205,[M+H]+,30.0,test,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1
539688,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1,374.14205,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1
539689,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1,374.14205,[M+H]+,60.0,test,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1
539690,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1,374.14205,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)N1CCC(SCC(=O)OC)C1
539691,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1,374.14205,[M+H]+,20.0,test,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
539692,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1,374.14205,[M+H]+,20.0,test,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
539693,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1,374.14205,[M+H]+,60.0,test,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
539694,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1,374.14205,[M+H]+,30.0,test,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
539695,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1,374.14205,[M+H]+,20.0,test,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
539696,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1,374.14205,[M+H]+,30.0,test,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
539697,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1,374.14205,[M+H]+,60.0,test,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
539698,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1,374.14205,[M+H]+,20.0,test,COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
539699,COc1c(OC)cc2c(c1)CCN(CCc1ccc(Cl)cc1)C2C,346.15683,[M+H]+,20.0,test,COc1cc2c(cc1OC)C(C)N(CCc1ccc(Cl)cc1)CC2
539700,COc1c(OC)cc2c(c1)CCN(CCc1ccc(Cl)cc1)C2C,346.15683,[M+H]+,20.0,test,COc1cc2c(cc1OC)C(C)N(CCc1ccc(Cl)cc1)CC2
539701,COc1c(OC)cc2c(c1)CCN(CCc1ccc(Cl)cc1)C2C,346.15683,[M+H]+,60.0,test,COc1cc2c(cc1OC)C(C)N(CCc1ccc(Cl)cc1)CC2
539702,COc1c(OC)cc2c(c1)CCN(CCc1ccc(Cl)cc1)C2C,346.15683,[M+H]+,20.0,test,COc1cc2c(cc1OC)C(C)N(CCc1ccc(Cl)cc1)CC2
539703,COc1c(OC)cc2c(c1)CCN(CCc1ccc(Cl)cc1)C2C,346.15683,[M+H]+,45.0,test,COc1cc2c(cc1OC)C(C)N(CCc1ccc(Cl)cc1)CC2
539704,COc1c(OC)cc2c(c1)CCN(CCc1ccc(Cl)cc1)C2C,346.15683,[M+H]+,60.0,test,COc1cc2c(cc1OC)C(C)N(CCc1ccc(Cl)cc1)CC2
539705,COc1c(OC)cc2c(c1)CCN(CCc1ccc(Cl)cc1)C2C,346.15683,[M+H]+,20.0,test,COc1cc2c(cc1OC)C(C)N(CCc1ccc(Cl)cc1)CC2
539706,COc1c(OC)cc2c(c1)CCN(CCc1ccc(Cl)cc1)C2C,346.15683,[M+H]+,45.0,test,COc1cc2c(cc1OC)C(C)N(CCc1ccc(Cl)cc1)CC2
539707,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,344.14228,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539708,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,344.14228,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539709,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,344.14228,[M-H]-,60.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539710,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,344.14228,[M-H]-,30.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539711,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,344.14228,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539712,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,344.14228,[M-H]-,30.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539713,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,344.14228,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539714,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,344.14228,[M-H]-,60.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539715,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,390.14776,[M+FA]-,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539716,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,390.14776,[M+FA]-,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539717,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,390.14776,[M+FA]-,60.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539718,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,390.14776,[M+FA]-,15.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539719,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,390.14776,[M+FA]-,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539720,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,328.14627,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539721,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,328.14627,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539722,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,328.14627,[M+H-H2O]+,60.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539723,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,328.14627,[M+H-H2O]+,30.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539724,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,328.14627,[M+H-H2O]+,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539725,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,346.15683,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539726,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,346.15683,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539727,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,346.15683,[M+H]+,60.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539728,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,346.15683,[M+H]+,15.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539729,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1,346.15683,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)NCCC(O)c2cccc(Cl)c2)cc1
539730,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539731,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539732,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539733,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,30.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539734,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539735,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539736,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539737,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539738,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539739,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,45.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539740,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539741,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539742,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539743,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,30.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539744,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539745,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539746,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,30.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539747,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539748,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539749,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539750,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539751,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,15.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539752,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539753,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539754,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539755,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539756,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,30.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539757,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539758,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539759,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,30.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539760,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,422.18093,[M-H]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539761,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539762,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539763,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539764,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,15.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539765,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,458.15761,[M+Cl]-,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539766,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539767,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539768,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539769,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539770,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,45.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539771,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539772,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539773,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,45.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539774,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539775,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539776,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539777,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539778,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,45.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539779,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,60.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539780,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,20.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539781,CC1CCCCN1CC(=O)Nc1cc(NC(=O)c2c(C(F)F)n(C)nc2)c(F)cc1,424.19549,[M+H]+,45.0,test,CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)F)c1
539782,CC(C)n1nc(-c2cc(OC(F)(F)F)c(N)nc2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12,424.19549,[M+H]+,20.0,test,CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
539783,CC(C)n1nc(-c2cc(OC(F)(F)F)c(N)nc2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12,424.19549,[M+H]+,20.0,test,CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
539784,CC(C)n1nc(-c2cc(OC(F)(F)F)c(N)nc2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12,424.19549,[M+H]+,60.0,test,CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
539785,CC(C)n1nc(-c2cc(OC(F)(F)F)c(N)nc2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12,424.19549,[M+H]+,20.0,test,CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
539786,CC(C)n1nc(-c2cc(OC(F)(F)F)c(N)nc2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12,424.19549,[M+H]+,45.0,test,CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
539787,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,337.20229,[M+H]+,20.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539788,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,337.20229,[M+H]+,20.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539789,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,337.20229,[M+H]+,60.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539790,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,337.20229,[M+H]+,30.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539791,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,337.20229,[M+H]+,20.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539792,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,337.20229,[M+H]+,60.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539793,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,337.20229,[M+H]+,30.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539794,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,337.20229,[M+H]+,20.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539795,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,359.18423,[M+Na]+,30.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539796,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,359.18423,[M+Na]+,30.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539797,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,359.18423,[M+Na]+,20.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539798,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1,359.18423,[M+Na]+,30.0,test,CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1
539799,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,381.19321,[M+FA]-,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539800,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,381.19321,[M+FA]-,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539801,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,381.19321,[M+FA]-,60.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539802,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,381.19321,[M+FA]-,15.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539803,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,381.19321,[M+FA]-,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539804,CCCc1nc(-c2c(NC3CCCC3)nc3cc(C)ccc3c2)no1,337.20229,[M+H]+,20.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539805,CCCc1nc(-c2c(NC3CCCC3)nc3cc(C)ccc3c2)no1,337.20229,[M+H]+,20.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539806,CCCc1nc(-c2c(NC3CCCC3)nc3cc(C)ccc3c2)no1,337.20229,[M+H]+,60.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539807,CCCc1nc(-c2c(NC3CCCC3)nc3cc(C)ccc3c2)no1,337.20229,[M+H]+,20.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539808,CCCc1nc(-c2c(NC3CCCC3)nc3cc(C)ccc3c2)no1,337.20229,[M+H]+,45.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539809,CCCc1nc(-c2c(NC3CCCC3)nc3cc(C)ccc3c2)no1,337.20229,[M+H]+,60.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539810,CCCc1nc(-c2c(NC3CCCC3)nc3cc(C)ccc3c2)no1,337.20229,[M+H]+,20.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539811,CCCc1nc(-c2c(NC3CCCC3)nc3cc(C)ccc3c2)no1,337.20229,[M+H]+,45.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539812,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,337.20229,[M+H]+,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539813,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,337.20229,[M+H]+,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539814,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,337.20229,[M+H]+,60.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539815,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,337.20229,[M+H]+,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539816,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,337.20229,[M+H]+,45.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539817,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,337.20229,[M+H]+,60.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539818,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,337.20229,[M+H]+,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539819,CC(C)Cn1c(-c2cc(C(=O)NC(C)C)ccc2)nc2c1nccc2,337.20229,[M+H]+,45.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539820,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,381.19321,[M+FA]-,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539821,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,381.19321,[M+FA]-,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539822,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,381.19321,[M+FA]-,60.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539823,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,381.19321,[M+FA]-,15.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539824,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,381.19321,[M+FA]-,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539825,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,381.19321,[M+FA]-,20.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539826,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,381.19321,[M+FA]-,60.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539827,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,381.19321,[M+FA]-,15.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539828,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,381.19321,[M+FA]-,20.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539829,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,335.18774,[M-H]-,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539830,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,335.18774,[M-H]-,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539831,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,335.18774,[M-H]-,15.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539832,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,335.18774,[M-H]-,60.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539833,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,335.18774,[M-H]-,30.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539834,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,335.18774,[M-H]-,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539835,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,335.18774,[M-H]-,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539836,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,335.18774,[M-H]-,60.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539837,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,381.19321,[M+FA]-,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539838,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,381.19321,[M+FA]-,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539839,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,381.19321,[M+FA]-,60.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539840,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,381.19321,[M+FA]-,15.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539841,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,381.19321,[M+FA]-,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539842,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,335.18774,[M-H]-,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539843,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,335.18774,[M-H]-,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539844,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,335.18774,[M-H]-,45.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539845,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,335.18774,[M-H]-,60.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539846,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,335.18774,[M-H]-,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539847,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,381.19321,[M+FA]-,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539848,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,381.19321,[M+FA]-,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539849,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,381.19321,[M+FA]-,60.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539850,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,381.19321,[M+FA]-,15.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539851,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,381.19321,[M+FA]-,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539852,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,335.18774,[M-H]-,20.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539853,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,335.18774,[M-H]-,20.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539854,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,335.18774,[M-H]-,45.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539855,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,335.18774,[M-H]-,60.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539856,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,335.18774,[M-H]-,20.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539857,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,335.18774,[M-H]-,20.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539858,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,335.18774,[M-H]-,45.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539859,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,335.18774,[M-H]-,60.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539860,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,337.20229,[M+H]+,20.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539861,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,337.20229,[M+H]+,20.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539862,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,337.20229,[M+H]+,45.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539863,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,337.20229,[M+H]+,60.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539864,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,337.20229,[M+H]+,20.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539865,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,337.20229,[M+H]+,60.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539866,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,337.20229,[M+H]+,45.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539867,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1,337.20229,[M+H]+,20.0,test,Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1
539868,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1
539869,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1
539870,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1,337.20229,[M+H]+,45.0,test,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1
539871,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1,337.20229,[M+H]+,60.0,test,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1
539872,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1
539873,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1
539874,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1,337.20229,[M+H]+,45.0,test,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1
539875,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1,337.20229,[M+H]+,60.0,test,Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)c(C)c1
539876,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,337.20229,[M+H]+,30.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539877,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,337.20229,[M+H]+,30.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539878,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,337.20229,[M+H]+,20.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539879,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,337.20229,[M+H]+,60.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539880,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,337.20229,[M+H]+,30.0,test,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
539881,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1,337.20229,[M+H]+,20.0,test,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1
539882,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1,337.20229,[M+H]+,20.0,test,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1
539883,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1,337.20229,[M+H]+,45.0,test,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1
539884,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1,337.20229,[M+H]+,60.0,test,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1
539885,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1,337.20229,[M+H]+,20.0,test,CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1
539886,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,337.20229,[M+H]+,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539887,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,337.20229,[M+H]+,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539888,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,337.20229,[M+H]+,45.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539889,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,337.20229,[M+H]+,60.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539890,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,337.20229,[M+H]+,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539891,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,337.20229,[M+H]+,45.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539892,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,337.20229,[M+H]+,20.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539893,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1,337.20229,[M+H]+,60.0,test,Cc1cccc(NC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)c1
539894,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1,337.20229,[M+H]+,20.0,test,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1
539895,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1,337.20229,[M+H]+,20.0,test,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1
539896,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1,337.20229,[M+H]+,45.0,test,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1
539897,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1,337.20229,[M+H]+,60.0,test,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1
539898,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1,337.20229,[M+H]+,20.0,test,CC1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1
539899,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1
539900,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1
539901,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1,337.20229,[M+H]+,60.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1
539902,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1,337.20229,[M+H]+,30.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1
539903,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1
539904,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1,337.20229,[M+H]+,20.0,test,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
539905,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1,337.20229,[M+H]+,20.0,test,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
539906,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1,337.20229,[M+H]+,60.0,test,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
539907,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1,337.20229,[M+H]+,30.0,test,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
539908,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1,337.20229,[M+H]+,20.0,test,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
539909,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1,337.20229,[M+H]+,60.0,test,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
539910,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1,337.20229,[M+H]+,30.0,test,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
539911,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1,337.20229,[M+H]+,20.0,test,CC(C)(CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
539912,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1,337.20229,[M+H]+,20.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539913,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1,337.20229,[M+H]+,20.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539914,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1,337.20229,[M+H]+,45.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539915,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1,337.20229,[M+H]+,60.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539916,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1,337.20229,[M+H]+,20.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539917,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1,337.20229,[M+H]+,45.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539918,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1,337.20229,[M+H]+,60.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539919,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1,337.20229,[M+H]+,20.0,test,CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1
539920,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,337.20229,[M+H]+,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539921,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,337.20229,[M+H]+,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539922,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,337.20229,[M+H]+,15.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539923,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,337.20229,[M+H]+,60.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539924,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,337.20229,[M+H]+,30.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539925,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,337.20229,[M+H]+,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539926,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,337.20229,[M+H]+,60.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539927,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1,337.20229,[M+H]+,20.0,test,CCC(C)C(NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1
539928,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,337.20229,[M+H]+,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539929,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,337.20229,[M+H]+,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539930,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,337.20229,[M+H]+,45.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539931,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,337.20229,[M+H]+,60.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539932,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,337.20229,[M+H]+,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539933,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,337.20229,[M+H]+,45.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539934,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,337.20229,[M+H]+,60.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539935,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21,337.20229,[M+H]+,20.0,test,CC(C)Cn1c(-c2cccc(C(=O)NC(C)C)c2)nc2cccnc21
539936,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,20.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539937,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,20.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539938,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,30.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539939,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,60.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539940,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,20.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539941,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,45.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539942,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,30.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539943,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,60.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539944,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1,337.20229,[M+H]+,20.0,test,Cc1cc(C)cc(C(=O)NCCc2nc3cccnc3n2C(C)C)c1
539945,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1
539946,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1
539947,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1,337.20229,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1
539948,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1,337.20229,[M+H]+,30.0,test,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1
539949,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1
539950,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1,337.20229,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1
539951,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1,337.20229,[M+H]+,30.0,test,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1
539952,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1,337.20229,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C)c1
539953,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,415.14455,[M-H]-,20.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539954,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,415.14455,[M-H]-,20.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539955,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,415.14455,[M-H]-,60.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539956,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,415.14455,[M-H]-,15.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539957,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,415.14455,[M-H]-,20.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539958,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,415.14455,[M-H]-,60.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539959,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,415.14455,[M-H]-,15.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539960,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,415.14455,[M-H]-,20.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539961,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,417.1591,[M+H]+,20.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539962,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,417.1591,[M+H]+,20.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539963,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,417.1591,[M+H]+,60.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539964,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,417.1591,[M+H]+,30.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539965,CC(=O)Oc1c(NC(=O)CC2SC(NN=C3CCCCC3)=NC2=O)cc(C)cc1,417.1591,[M+H]+,20.0,test,CC(=O)Oc1ccc(C)cc1NC(=O)CC1SC(NN=C2CCCCC2)=NC1=O
539966,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,415.14455,[M-H]-,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539967,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,415.14455,[M-H]-,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539968,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,415.14455,[M-H]-,60.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539969,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,415.14455,[M-H]-,30.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539970,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,415.14455,[M-H]-,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539971,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,451.12123,[M+Cl]-,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539972,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,451.12123,[M+Cl]-,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539973,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,451.12123,[M+Cl]-,60.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539974,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,451.12123,[M+Cl]-,15.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539975,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,451.12123,[M+Cl]-,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539976,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,417.1591,[M+H]+,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539977,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,417.1591,[M+H]+,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539978,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,417.1591,[M+H]+,60.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539979,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,417.1591,[M+H]+,30.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539980,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,417.1591,[M+H]+,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539981,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,417.1591,[M+H]+,60.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539982,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,417.1591,[M+H]+,30.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539983,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccc2)CC1,417.1591,[M+H]+,20.0,test,CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
539984,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1,417.1591,[M+H]+,20.0,test,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1
539985,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1,417.1591,[M+H]+,20.0,test,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1
539986,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1,417.1591,[M+H]+,60.0,test,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1
539987,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1,417.1591,[M+H]+,30.0,test,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1
539988,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1,417.1591,[M+H]+,20.0,test,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1
539989,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1,417.1591,[M+H]+,60.0,test,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1
539990,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1,417.1591,[M+H]+,30.0,test,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1
539991,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1,417.1591,[M+H]+,20.0,test,COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1
539992,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,367.15981,[M-H]-,20.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
539993,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,367.15981,[M-H]-,20.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
539994,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,367.15981,[M-H]-,60.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
539995,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,367.15981,[M-H]-,45.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
539996,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,369.17436,[M+H]+,20.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
539997,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,369.17436,[M+H]+,20.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
539998,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,369.17436,[M+H]+,60.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
539999,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,369.17436,[M+H]+,30.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
540000,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,369.17436,[M+H]+,20.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
540001,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,369.17436,[M+H]+,60.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
540002,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,369.17436,[M+H]+,30.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
540003,Cc1c(C)c2c(nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c2=O)s1,369.17436,[M+H]+,20.0,test,Cc1sc2nc(C(C)N3C[C@@H](N)[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C
540004,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,367.15981,[M-H]-,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540005,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,367.15981,[M-H]-,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540006,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,367.15981,[M-H]-,60.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540007,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,367.15981,[M-H]-,30.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540008,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,367.15981,[M-H]-,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540009,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,367.15981,[M-H]-,30.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540010,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,367.15981,[M-H]-,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540011,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,367.15981,[M-H]-,60.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540012,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,413.16528,[M+FA]-,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540013,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,413.16528,[M+FA]-,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540014,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,413.16528,[M+FA]-,60.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540015,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,413.16528,[M+FA]-,15.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540016,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,413.16528,[M+FA]-,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540017,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,369.17436,[M+H]+,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540018,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,369.17436,[M+H]+,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540019,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,369.17436,[M+H]+,60.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540020,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,369.17436,[M+H]+,30.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540021,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,369.17436,[M+H]+,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540022,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,369.17436,[M+H]+,30.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540023,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,369.17436,[M+H]+,60.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540024,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1,369.17436,[M+H]+,20.0,test,CSCCC(NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1
540025,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,427.15578,[M-H]-,20.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540026,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,427.15578,[M-H]-,20.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540027,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,427.15578,[M-H]-,45.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540028,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,427.15578,[M-H]-,60.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540029,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,427.15578,[M-H]-,20.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540030,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,427.15578,[M-H]-,45.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540031,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,427.15578,[M-H]-,60.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540032,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,427.15578,[M-H]-,20.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540033,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,429.17034,[M+H]+,20.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540034,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,429.17034,[M+H]+,20.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540035,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,429.17034,[M+H]+,45.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540036,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,429.17034,[M+H]+,60.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540037,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,429.17034,[M+H]+,20.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540038,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,429.17034,[M+H]+,45.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540039,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,429.17034,[M+H]+,60.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540040,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1,429.17034,[M+H]+,20.0,test,COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1
540041,Cn1cnnc1C1CCN(C(=O)C2(c3cc(Br)ccc3)CCCC2)CC1,417.12845,[M+H]+,20.0,test,Cn1cnnc1C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1
540042,Cn1cnnc1C1CCN(C(=O)C2(c3cc(Br)ccc3)CCCC2)CC1,417.12845,[M+H]+,20.0,test,Cn1cnnc1C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1
540043,Cn1cnnc1C1CCN(C(=O)C2(c3cc(Br)ccc3)CCCC2)CC1,417.12845,[M+H]+,60.0,test,Cn1cnnc1C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1
540044,Cn1cnnc1C1CCN(C(=O)C2(c3cc(Br)ccc3)CCCC2)CC1,417.12845,[M+H]+,30.0,test,Cn1cnnc1C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1
540045,Cn1cnnc1C1CCN(C(=O)C2(c3cc(Br)ccc3)CCCC2)CC1,417.12845,[M+H]+,20.0,test,Cn1cnnc1C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1
540046,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1,417.12845,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1
540047,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1,417.12845,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1
540048,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1,417.12845,[M+H]+,45.0,test,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1
540049,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1,417.12845,[M+H]+,60.0,test,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1
540050,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1,417.12845,[M+H]+,20.0,test,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3Br)C2)nc1
540051,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,495.05295,[M-H]-,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540052,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,495.05295,[M-H]-,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540053,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,495.05295,[M-H]-,60.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540054,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,495.05295,[M-H]-,30.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540055,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,495.05295,[M-H]-,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540056,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,495.05295,[M-H]-,60.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540057,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,495.05295,[M-H]-,30.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540058,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,495.05295,[M-H]-,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540059,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,495.05295,[M-H]-,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540060,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,495.05295,[M-H]-,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540061,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,495.05295,[M-H]-,60.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540062,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,495.05295,[M-H]-,30.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540063,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,495.05295,[M-H]-,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540064,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,495.05295,[M-H]-,60.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540065,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,495.05295,[M-H]-,30.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540066,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,495.05295,[M-H]-,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540067,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,497.06751,[M+H]+,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540068,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,497.06751,[M+H]+,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540069,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,497.06751,[M+H]+,60.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540070,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,497.06751,[M+H]+,15.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540071,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1,497.06751,[M+H]+,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2cccc(C)c2)n1
540072,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,497.06751,[M+H]+,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540073,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,497.06751,[M+H]+,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540074,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,497.06751,[M+H]+,60.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540075,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,497.06751,[M+H]+,15.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540076,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1,497.06751,[M+H]+,20.0,test,CCCSc1ncc(Br)c(C(=O)NC(CCSC)C(=O)Nc2ccc(C)cc2)n1
540077,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21,308.21212,[M+H]+,20.0,test,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21
540078,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21,308.21212,[M+H]+,20.0,test,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21
540079,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21,308.21212,[M+H]+,60.0,test,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21
540080,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21,308.21212,[M+H]+,30.0,test,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21
540081,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21,308.21212,[M+H]+,20.0,test,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21
540082,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21,308.21212,[M+H]+,20.0,test,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21
540083,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21,308.21212,[M+H]+,30.0,test,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21
540084,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21,308.21212,[M+H]+,60.0,test,CCN(CC)CCn1c(Cc2ccccc2)nc2ccccc21
540085,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O,372.19178,[M+H]+,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O
540086,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O,372.19178,[M+H]+,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O
540087,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O,372.19178,[M+H]+,60.0,test,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O
540088,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O,372.19178,[M+H]+,15.0,test,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O
540089,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O,372.19178,[M+H]+,20.0,test,CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2cc3ccccc3o2)C1=O
540090,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,358.166,[M-H]-,20.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540091,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,358.166,[M-H]-,20.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540092,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,358.166,[M-H]-,60.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540093,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,358.166,[M-H]-,20.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540094,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,358.166,[M-H]-,45.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540095,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,358.166,[M-H]-,60.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540096,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,358.166,[M-H]-,20.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540097,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,358.166,[M-H]-,45.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540098,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,360.18055,[M+H]+,20.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540099,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,360.18055,[M+H]+,20.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540100,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,360.18055,[M+H]+,60.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540101,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,360.18055,[M+H]+,30.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540102,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,360.18055,[M+H]+,20.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540103,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,360.18055,[M+H]+,60.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540104,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,360.18055,[M+H]+,30.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540105,COc1cc(C(=O)Nc2c(C(C)C)cc(O)c(C)c2)cc(OC)c1OC,360.18055,[M+H]+,20.0,test,COc1cc(C(=O)Nc2cc(C)c(O)cc2C(C)C)cc(OC)c1OC
540106,Cc1c(C)oc(CN2CCCN(C(C)C(=O)Nc3c(Cl)c(Cl)ccc3)CC2)n1,425.15056,[M+H]+,20.0,test,Cc1nc(CN2CCCN(C(C)C(=O)Nc3cccc(Cl)c3Cl)CC2)oc1C
540107,Cc1c(C)oc(CN2CCCN(C(C)C(=O)Nc3c(Cl)c(Cl)ccc3)CC2)n1,425.15056,[M+H]+,20.0,test,Cc1nc(CN2CCCN(C(C)C(=O)Nc3cccc(Cl)c3Cl)CC2)oc1C
540108,Cc1c(C)oc(CN2CCCN(C(C)C(=O)Nc3c(Cl)c(Cl)ccc3)CC2)n1,425.15056,[M+H]+,60.0,test,Cc1nc(CN2CCCN(C(C)C(=O)Nc3cccc(Cl)c3Cl)CC2)oc1C
540109,Cc1c(C)oc(CN2CCCN(C(C)C(=O)Nc3c(Cl)c(Cl)ccc3)CC2)n1,425.15056,[M+H]+,30.0,test,Cc1nc(CN2CCCN(C(C)C(=O)Nc3cccc(Cl)c3Cl)CC2)oc1C
540110,Cc1c(C)oc(CN2CCCN(C(C)C(=O)Nc3c(Cl)c(Cl)ccc3)CC2)n1,425.15056,[M+H]+,20.0,test,Cc1nc(CN2CCCN(C(C)C(=O)Nc3cccc(Cl)c3Cl)CC2)oc1C
540111,Cc1c(C)oc(CN2CCCN(C(C)C(=O)Nc3c(Cl)c(Cl)ccc3)CC2)n1,425.15056,[M+H]+,60.0,test,Cc1nc(CN2CCCN(C(C)C(=O)Nc3cccc(Cl)c3Cl)CC2)oc1C
540112,Cc1c(C)oc(CN2CCCN(C(C)C(=O)Nc3c(Cl)c(Cl)ccc3)CC2)n1,425.15056,[M+H]+,30.0,test,Cc1nc(CN2CCCN(C(C)C(=O)Nc3cccc(Cl)c3Cl)CC2)oc1C
540113,Cc1c(C)oc(CN2CCCN(C(C)C(=O)Nc3c(Cl)c(Cl)ccc3)CC2)n1,425.15056,[M+H]+,20.0,test,Cc1nc(CN2CCCN(C(C)C(=O)Nc3cccc(Cl)c3Cl)CC2)oc1C
540114,CC(C)n1cnc2c(Nc3cc(Cl)ccc3)nc(N[C@H]3CCCC[C@@H]3N)nc21,400.2011,[M+H]+,20.0,test,CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21
540115,CC(C)n1cnc2c(Nc3cc(Cl)ccc3)nc(N[C@H]3CCCC[C@@H]3N)nc21,400.2011,[M+H]+,20.0,test,CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21
540116,CC(C)n1cnc2c(Nc3cc(Cl)ccc3)nc(N[C@H]3CCCC[C@@H]3N)nc21,400.2011,[M+H]+,30.0,test,CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21
540117,CC(C)n1cnc2c(Nc3cc(Cl)ccc3)nc(N[C@H]3CCCC[C@@H]3N)nc21,400.2011,[M+H]+,60.0,test,CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21
540118,CC(C)n1cnc2c(Nc3cc(Cl)ccc3)nc(N[C@H]3CCCC[C@@H]3N)nc21,400.2011,[M+H]+,20.0,test,CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21
540119,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,337.20339,[M-H]-,20.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540120,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,337.20339,[M-H]-,20.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540121,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,337.20339,[M-H]-,60.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540122,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,337.20339,[M-H]-,20.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540123,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,337.20339,[M-H]-,45.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540124,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,383.20886,[M+FA]-,20.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540125,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,383.20886,[M+FA]-,15.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540126,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,383.20886,[M+FA]-,20.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540127,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,339.21794,[M+H]+,20.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540128,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,339.21794,[M+H]+,20.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540129,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,339.21794,[M+H]+,60.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540130,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,339.21794,[M+H]+,20.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540131,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,339.21794,[M+H]+,45.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540132,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,339.21794,[M+H]+,60.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540133,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,339.21794,[M+H]+,20.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540134,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1,339.21794,[M+H]+,45.0,test,CC(C)c1nccc(NC2CCN(C(=O)CCc3ccccc3)C2)n1
540135,Cc1c(C)c(N2CCN(C(=O)C3CCc4cncn4C3)CC2)ccc1,339.21794,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)C3CCc4cncn4C3)CC2)c1C
540136,Cc1c(C)c(N2CCN(C(=O)C3CCc4cncn4C3)CC2)ccc1,339.21794,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)C3CCc4cncn4C3)CC2)c1C
540137,Cc1c(C)c(N2CCN(C(=O)C3CCc4cncn4C3)CC2)ccc1,339.21794,[M+H]+,60.0,test,Cc1cccc(N2CCN(C(=O)C3CCc4cncn4C3)CC2)c1C
540138,Cc1c(C)c(N2CCN(C(=O)C3CCc4cncn4C3)CC2)ccc1,339.21794,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)C3CCc4cncn4C3)CC2)c1C
540139,Cc1c(C)c(N2CCN(C(=O)C3CCc4cncn4C3)CC2)ccc1,339.21794,[M+H]+,45.0,test,Cc1cccc(N2CCN(C(=O)C3CCc4cncn4C3)CC2)c1C
540140,Cc1c(C)c(N2CCN(C(=O)C3CCc4cncn4C3)CC2)ccc1,339.21794,[M+H]+,60.0,test,Cc1cccc(N2CCN(C(=O)C3CCc4cncn4C3)CC2)c1C
540141,Cc1c(C)c(N2CCN(C(=O)C3CCc4cncn4C3)CC2)ccc1,339.21794,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)C3CCc4cncn4C3)CC2)c1C
540142,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1,339.21794,[M+H]+,20.0,test,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1
540143,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1,339.21794,[M+H]+,20.0,test,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1
540144,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1,339.21794,[M+H]+,60.0,test,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1
540145,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1,339.21794,[M+H]+,30.0,test,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1
540146,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1,339.21794,[M+H]+,20.0,test,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1
540147,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1,339.21794,[M+H]+,60.0,test,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1
540148,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1,339.21794,[M+H]+,30.0,test,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1
540149,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1,339.21794,[M+H]+,20.0,test,O=C(c1ccc(C2CCCCC2)cc1)N1CCCC(n2ccnn2)C1
540150,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,339.21794,[M+H]+,20.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540151,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,339.21794,[M+H]+,20.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540152,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,339.21794,[M+H]+,60.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540153,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,339.21794,[M+H]+,30.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540154,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,339.21794,[M+H]+,20.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540155,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,339.21794,[M+H]+,60.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540156,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,339.21794,[M+H]+,30.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540157,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2,339.21794,[M+H]+,20.0,test,O=C(NCCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2
540158,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1,339.21794,[M+H]+,20.0,test,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1
540159,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1,339.21794,[M+H]+,20.0,test,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1
540160,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1,339.21794,[M+H]+,30.0,test,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1
540161,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1,339.21794,[M+H]+,60.0,test,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1
540162,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1,339.21794,[M+H]+,15.0,test,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1
540163,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1,339.21794,[M+H]+,20.0,test,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1
540164,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1,339.21794,[M+H]+,60.0,test,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1
540165,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1,339.21794,[M+H]+,20.0,test,CC(=Cc1ccccc1)CN1CCN(C)C(c2nc(C3CC3)no2)C1
540166,Cc1ccccc1C(=O)NC1CCN(c2nc(C(C)C)ncc2)CC1,339.21794,[M+H]+,20.0,test,Cc1ccccc1C(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1
540167,Cc1ccccc1C(=O)NC1CCN(c2nc(C(C)C)ncc2)CC1,339.21794,[M+H]+,20.0,test,Cc1ccccc1C(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1
540168,Cc1ccccc1C(=O)NC1CCN(c2nc(C(C)C)ncc2)CC1,339.21794,[M+H]+,60.0,test,Cc1ccccc1C(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1
540169,Cc1ccccc1C(=O)NC1CCN(c2nc(C(C)C)ncc2)CC1,339.21794,[M+H]+,20.0,test,Cc1ccccc1C(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1
540170,Cc1ccccc1C(=O)NC1CCN(c2nc(C(C)C)ncc2)CC1,339.21794,[M+H]+,45.0,test,Cc1ccccc1C(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1
540171,Cc1ccccc1C(=O)NC1CCN(c2nc(C(C)C)ncc2)CC1,339.21794,[M+H]+,60.0,test,Cc1ccccc1C(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1
540172,Cc1ccccc1C(=O)NC1CCN(c2nc(C(C)C)ncc2)CC1,339.21794,[M+H]+,20.0,test,Cc1ccccc1C(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1
540173,Cc1ccccc1C(=O)NC1CCN(c2nc(C(C)C)ncc2)CC1,339.21794,[M+H]+,45.0,test,Cc1ccccc1C(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1
540174,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1,339.21794,[M+H]+,20.0,test,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1
540175,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1,339.21794,[M+H]+,20.0,test,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1
540176,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1,339.21794,[M+H]+,60.0,test,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1
540177,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1,339.21794,[M+H]+,15.0,test,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1
540178,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1,339.21794,[M+H]+,20.0,test,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1
540179,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1,339.21794,[M+H]+,45.0,test,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1
540180,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1,339.21794,[M+H]+,60.0,test,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1
540181,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1,339.21794,[M+H]+,20.0,test,CC1Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2CN1
540182,CCN(CC)C(=O)N[C@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2N(C)C1,339.21794,[M+H]+,20.0,test,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
540183,CCN(CC)C(=O)N[C@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2N(C)C1,339.21794,[M+H]+,20.0,test,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
540184,CCN(CC)C(=O)N[C@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2N(C)C1,339.21794,[M+H]+,60.0,test,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
540185,CCN(CC)C(=O)N[C@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2N(C)C1,339.21794,[M+H]+,30.0,test,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
540186,CCN(CC)C(=O)N[C@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2N(C)C1,339.21794,[M+H]+,20.0,test,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
540187,CCN(CC)C(=O)N[C@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2N(C)C1,339.21794,[M+H]+,60.0,test,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
540188,CCN(CC)C(=O)N[C@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2N(C)C1,339.21794,[M+H]+,30.0,test,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
540189,CCN(CC)C(=O)N[C@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2N(C)C1,339.21794,[M+H]+,20.0,test,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
540190,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,337.20339,[M-H]-,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540191,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,337.20339,[M-H]-,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540192,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,337.20339,[M-H]-,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540193,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,337.20339,[M-H]-,45.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540194,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,383.20886,[M+FA]-,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540195,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,383.20886,[M+FA]-,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540196,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,383.20886,[M+FA]-,60.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540197,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,383.20886,[M+FA]-,15.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540198,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,383.20886,[M+FA]-,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540199,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,383.20886,[M+FA]-,60.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540200,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,383.20886,[M+FA]-,15.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540201,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,383.20886,[M+FA]-,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540202,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,339.21794,[M+H]+,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540203,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,339.21794,[M+H]+,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540204,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,339.21794,[M+H]+,60.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540205,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,339.21794,[M+H]+,20.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540206,O=C(NCC1CCCCC1)c1cc2c(cc1)ncnc2N1CCCC1,339.21794,[M+H]+,75.0,test,O=C(NCC1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1
540207,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,337.20339,[M-H]-,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540208,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,337.20339,[M-H]-,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540209,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,337.20339,[M-H]-,45.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540210,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,337.20339,[M-H]-,60.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540211,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,337.20339,[M-H]-,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540212,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,383.20886,[M+FA]-,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540213,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,383.20886,[M+FA]-,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540214,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,383.20886,[M+FA]-,60.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540215,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,383.20886,[M+FA]-,15.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540216,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,383.20886,[M+FA]-,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540217,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1,339.21794,[M+H]+,20.0,test,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1
540218,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1,339.21794,[M+H]+,20.0,test,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1
540219,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1,339.21794,[M+H]+,45.0,test,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1
540220,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1,339.21794,[M+H]+,60.0,test,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1
540221,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1,339.21794,[M+H]+,20.0,test,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1
540222,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1,339.21794,[M+H]+,45.0,test,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1
540223,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1,339.21794,[M+H]+,60.0,test,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1
540224,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1,339.21794,[M+H]+,20.0,test,CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1
540225,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1,339.21794,[M+H]+,20.0,test,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1
540226,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1,339.21794,[M+H]+,20.0,test,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1
540227,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1,339.21794,[M+H]+,45.0,test,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1
540228,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1,339.21794,[M+H]+,60.0,test,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1
540229,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1,339.21794,[M+H]+,20.0,test,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1
540230,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1,339.21794,[M+H]+,45.0,test,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1
540231,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1,339.21794,[M+H]+,20.0,test,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1
540232,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1,339.21794,[M+H]+,60.0,test,Cc1cc(N(C)C2CCN(C(=O)CCc3ccccc3)CC2)ncn1
540233,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1
540234,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1
540235,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1,339.21794,[M+H]+,45.0,test,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1
540236,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1,339.21794,[M+H]+,60.0,test,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1
540237,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1
540238,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1,339.21794,[M+H]+,45.0,test,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1
540239,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1,339.21794,[M+H]+,60.0,test,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1
540240,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1
540241,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C,339.21794,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C
540242,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C,339.21794,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C
540243,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C,339.21794,[M+H]+,45.0,test,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C
540244,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C,339.21794,[M+H]+,60.0,test,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C
540245,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C,339.21794,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C
540246,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C,339.21794,[M+H]+,60.0,test,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C
540247,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C,339.21794,[M+H]+,45.0,test,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C
540248,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C,339.21794,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)c1C
540249,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1,339.21794,[M+H]+,20.0,test,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1
540250,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1,339.21794,[M+H]+,20.0,test,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1
540251,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1,339.21794,[M+H]+,45.0,test,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1
540252,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1,339.21794,[M+H]+,60.0,test,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1
540253,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1,339.21794,[M+H]+,20.0,test,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1
540254,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1,339.21794,[M+H]+,45.0,test,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1
540255,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1,339.21794,[M+H]+,20.0,test,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1
540256,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1,339.21794,[M+H]+,60.0,test,CCc1ccc(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1
540257,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1,339.21794,[M+H]+,20.0,test,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1
540258,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1,339.21794,[M+H]+,20.0,test,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1
540259,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1,339.21794,[M+H]+,60.0,test,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1
540260,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1,339.21794,[M+H]+,30.0,test,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1
540261,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1,339.21794,[M+H]+,20.0,test,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1
540262,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1,339.21794,[M+H]+,60.0,test,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1
540263,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1,339.21794,[M+H]+,30.0,test,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1
540264,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1,339.21794,[M+H]+,20.0,test,CCN(CC)C(=O)c1cccnc1N1CCNC(c2ccccc2)C1
540265,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1
540266,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1
540267,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1,339.21794,[M+H]+,45.0,test,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1
540268,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1,339.21794,[M+H]+,60.0,test,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1
540269,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1
540270,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1
540271,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1,339.21794,[M+H]+,45.0,test,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1
540272,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1,339.21794,[M+H]+,60.0,test,CCC(C(=O)NCc1nccc(N2CCCCC2)n1)c1ccccc1
540273,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,339.21794,[M+H]+,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540274,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,339.21794,[M+H]+,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540275,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,339.21794,[M+H]+,60.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540276,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,339.21794,[M+H]+,30.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540277,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,339.21794,[M+H]+,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540278,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,339.21794,[M+H]+,20.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540279,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1,339.21794,[M+H]+,60.0,test,Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCCc1ccccc1
540280,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1,339.21794,[M+H]+,20.0,test,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1
540281,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1,339.21794,[M+H]+,20.0,test,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1
540282,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1,339.21794,[M+H]+,45.0,test,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1
540283,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1,339.21794,[M+H]+,60.0,test,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1
540284,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1,339.21794,[M+H]+,20.0,test,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1
540285,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1,339.21794,[M+H]+,60.0,test,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1
540286,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1,339.21794,[M+H]+,45.0,test,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1
540287,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1,339.21794,[M+H]+,20.0,test,CCCn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1
540288,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1
540289,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1
540290,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1,339.21794,[M+H]+,45.0,test,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1
540291,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1,339.21794,[M+H]+,60.0,test,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1
540292,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1
540293,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1,339.21794,[M+H]+,45.0,test,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1
540294,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1,339.21794,[M+H]+,20.0,test,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1
540295,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1,339.21794,[M+H]+,60.0,test,CCC(C(=O)NC1CCc2nc(N(C)C)ncc2C1)c1ccccc1
540296,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1,339.21794,[M+H]+,20.0,test,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
540297,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1,339.21794,[M+H]+,20.0,test,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
540298,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1,339.21794,[M+H]+,60.0,test,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
540299,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1,339.21794,[M+H]+,30.0,test,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
540300,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1,339.21794,[M+H]+,20.0,test,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
540301,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1,339.21794,[M+H]+,60.0,test,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
540302,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1,339.21794,[M+H]+,30.0,test,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
540303,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1,339.21794,[M+H]+,20.0,test,CN(c1ccncn1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
540304,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,401.16529,[M-H]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540305,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,401.16529,[M-H]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540306,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,401.16529,[M-H]-,60.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540307,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,401.16529,[M-H]-,30.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540308,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,401.16529,[M-H]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540309,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,437.14196,[M+Cl]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540310,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,437.14196,[M+Cl]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540311,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,437.14196,[M+Cl]-,60.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540312,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,437.14196,[M+Cl]-,30.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540313,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,437.14196,[M+Cl]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540314,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,447.17076,[M+FA]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540315,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,447.17076,[M+FA]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540316,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,447.17076,[M+FA]-,60.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540317,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,447.17076,[M+FA]-,15.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540318,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,447.17076,[M+FA]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540319,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,447.17076,[M+FA]-,60.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540320,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,447.17076,[M+FA]-,15.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540321,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,447.17076,[M+FA]-,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540322,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1,403.17984,[M+H]+,20.0,test,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1
540323,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1,403.17984,[M+H]+,20.0,test,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1
540324,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1,403.17984,[M+H]+,60.0,test,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1
540325,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1,403.17984,[M+H]+,30.0,test,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1
540326,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1,403.17984,[M+H]+,20.0,test,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1
540327,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1,403.17984,[M+H]+,60.0,test,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1
540328,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1,403.17984,[M+H]+,30.0,test,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1
540329,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1,403.17984,[M+H]+,20.0,test,CCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1
540330,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,403.17984,[M+H]+,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540331,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,403.17984,[M+H]+,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540332,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,403.17984,[M+H]+,60.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540333,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,403.17984,[M+H]+,15.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540334,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,403.17984,[M+H]+,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540335,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,403.17984,[M+H]+,45.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540336,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,403.17984,[M+H]+,60.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540337,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cnccc3)cc2)C1,403.17984,[M+H]+,20.0,test,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
540338,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,447.17076,[M+FA]-,15.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540339,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,447.17076,[M+FA]-,20.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540340,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,403.17984,[M+H]+,20.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540341,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,403.17984,[M+H]+,20.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540342,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,403.17984,[M+H]+,45.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540343,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,403.17984,[M+H]+,60.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540344,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,403.17984,[M+H]+,20.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540345,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,403.17984,[M+H]+,60.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540346,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,403.17984,[M+H]+,45.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540347,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1,403.17984,[M+H]+,20.0,test,Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1
540348,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3CCCn32)C1,351.22917,[M+H]+,20.0,test,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3n2CCC3)C1
540349,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3CCCn32)C1,351.22917,[M+H]+,20.0,test,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3n2CCC3)C1
540350,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3CCCn32)C1,351.22917,[M+H]+,60.0,test,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3n2CCC3)C1
540351,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3CCCn32)C1,351.22917,[M+H]+,30.0,test,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3n2CCC3)C1
540352,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3CCCn32)C1,351.22917,[M+H]+,20.0,test,CC(C)(C)c1nc2ccccc2n1C1CN(Cc2nnc3n2CCC3)C1
540353,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,381.20445,[M-H]-,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540354,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,381.20445,[M-H]-,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540355,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,381.20445,[M-H]-,60.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540356,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,381.20445,[M-H]-,30.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540357,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,381.20445,[M-H]-,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540358,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,417.18113,[M+Cl]-,30.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540359,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,417.18113,[M+Cl]-,30.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540360,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,417.18113,[M+Cl]-,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540361,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,417.18113,[M+Cl]-,30.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540362,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,427.20993,[M+FA]-,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540363,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,427.20993,[M+FA]-,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540364,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,427.20993,[M+FA]-,60.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540365,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,427.20993,[M+FA]-,15.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540366,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,427.20993,[M+FA]-,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540367,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,427.20993,[M+FA]-,60.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540368,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,427.20993,[M+FA]-,15.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540369,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,427.20993,[M+FA]-,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540370,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,427.20993,[M+FA]-,20.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540371,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,427.20993,[M+FA]-,20.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540372,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,427.20993,[M+FA]-,60.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540373,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,427.20993,[M+FA]-,15.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540374,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,427.20993,[M+FA]-,20.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540375,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,381.20445,[M-H]-,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540376,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,381.20445,[M-H]-,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540377,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,381.20445,[M-H]-,60.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540378,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,381.20445,[M-H]-,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540379,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,381.20445,[M-H]-,45.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540380,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,417.18113,[M+Cl]-,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540381,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,417.18113,[M+Cl]-,60.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540382,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,417.18113,[M+Cl]-,15.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540383,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,427.20993,[M+FA]-,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540384,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,427.20993,[M+FA]-,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540385,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,427.20993,[M+FA]-,60.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540386,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,427.20993,[M+FA]-,15.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540387,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,427.20993,[M+FA]-,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540388,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,383.219,[M+H]+,20.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540389,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,383.219,[M+H]+,20.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540390,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,383.219,[M+H]+,30.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540391,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,383.219,[M+H]+,60.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540392,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,383.219,[M+H]+,20.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540393,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,383.219,[M+H]+,45.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540394,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,383.219,[M+H]+,60.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540395,COc1c(C#N)cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1,383.219,[M+H]+,20.0,test,COc1ccc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc1C#N
540396,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,383.219,[M+H]+,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540397,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,383.219,[M+H]+,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540398,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,383.219,[M+H]+,60.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540399,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,383.219,[M+H]+,30.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540400,O=C(Nc1cn(Cc2ccncc2)nc1)C1CCCN(C(=O)N2CCCC2)C1,383.219,[M+H]+,20.0,test,O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCN(C(=O)N2CCCC2)C1
540401,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,383.219,[M+H]+,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540402,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,383.219,[M+H]+,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540403,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,383.219,[M+H]+,60.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540404,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,383.219,[M+H]+,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540405,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,383.219,[M+H]+,45.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540406,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,383.219,[M+H]+,60.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540407,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,383.219,[M+H]+,20.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540408,Cc1nnc2CCC(NC(=O)Nc3cccc(CN4CCCCC4=O)c3)Cn12,383.219,[M+H]+,45.0,test,Cc1nnc2n1CC(NC(=O)Nc1cccc(CN3CCCCC3=O)c1)CC2
540409,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1,383.219,[M+H]+,20.0,test,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
540410,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1,383.219,[M+H]+,20.0,test,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
540411,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1,383.219,[M+H]+,60.0,test,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
540412,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1,383.219,[M+H]+,15.0,test,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
540413,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1,383.219,[M+H]+,20.0,test,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
540414,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1,383.219,[M+H]+,45.0,test,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
540415,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1,383.219,[M+H]+,60.0,test,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
540416,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1,383.219,[M+H]+,20.0,test,COc1cccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
540417,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O,471.1508,[M+FA]-,20.0,test,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O
540418,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O,471.1508,[M+FA]-,20.0,test,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O
540419,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O,471.1508,[M+FA]-,60.0,test,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O
540420,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O,471.1508,[M+FA]-,15.0,test,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O
540421,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O,471.1508,[M+FA]-,20.0,test,O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(O)C=CCCC1O
540422,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,425.14532,[M-H]-,15.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540423,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,425.14532,[M-H]-,15.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540424,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,425.14532,[M-H]-,20.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540425,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,425.14532,[M-H]-,60.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540426,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,425.14532,[M-H]-,15.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540427,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,461.122,[M+Cl]-,20.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540428,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,461.122,[M+Cl]-,20.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540429,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,461.122,[M+Cl]-,30.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540430,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,461.122,[M+Cl]-,20.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540431,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,471.1508,[M+FA]-,20.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540432,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,471.1508,[M+FA]-,20.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540433,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,471.1508,[M+FA]-,60.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540434,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,471.1508,[M+FA]-,15.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540435,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O,471.1508,[M+FA]-,20.0,test,CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
540436,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,499.14236,[M+FA]-,20.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540437,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,499.14236,[M+FA]-,20.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540438,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,499.14236,[M+FA]-,60.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540439,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,499.14236,[M+FA]-,15.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540440,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,499.14236,[M+FA]-,20.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540441,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,455.15143,[M+H]+,20.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540442,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,455.15143,[M+H]+,20.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540443,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,455.15143,[M+H]+,60.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540444,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,455.15143,[M+H]+,30.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540445,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1,455.15143,[M+H]+,20.0,test,O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1
540446,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1,326.22269,[M+H]+,30.0,test,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1
540447,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1,326.22269,[M+H]+,30.0,test,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1
540448,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1,326.22269,[M+H]+,20.0,test,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1
540449,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1,326.22269,[M+H]+,60.0,test,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1
540450,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1,326.22269,[M+H]+,30.0,test,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1
540451,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1,326.22269,[M+H]+,20.0,test,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1
540452,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1,326.22269,[M+H]+,60.0,test,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1
540453,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1,326.22269,[M+H]+,30.0,test,CC1CCCCC1CC(=O)N1CCC(C#N)(c2ccccn2)CC1
540454,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21,326.22269,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21
540455,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21,326.22269,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21
540456,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21,326.22269,[M+H]+,60.0,test,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21
540457,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21,326.22269,[M+H]+,15.0,test,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21
540458,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21,326.22269,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21
540459,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21,326.22269,[M+H]+,60.0,test,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21
540460,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21,326.22269,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21
540461,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21,326.22269,[M+H]+,15.0,test,CCn1c2ccccc2c2cc(CNCCNCC(C)O)ccc21
540462,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,363.18448,[M+Cl]-,20.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540463,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,363.18448,[M+Cl]-,15.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540464,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,373.21328,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540465,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,373.21328,[M+FA]-,60.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540466,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,373.21328,[M+FA]-,15.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540467,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,373.21328,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540468,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,373.21328,[M+FA]-,60.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540469,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,373.21328,[M+FA]-,15.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540470,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,373.21328,[M+FA]-,20.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540471,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1,329.22235,[M+H]+,20.0,test,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1
540472,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1,329.22235,[M+H]+,20.0,test,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1
540473,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1,329.22235,[M+H]+,30.0,test,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1
540474,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1,329.22235,[M+H]+,60.0,test,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1
540475,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1,329.22235,[M+H]+,20.0,test,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1
540476,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1,329.22235,[M+H]+,45.0,test,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1
540477,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1,329.22235,[M+H]+,60.0,test,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1
540478,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1,329.22235,[M+H]+,20.0,test,O=C(CC1CC2CCC(C1)N2)Nc1ccc(OC2CCCC2)cc1
540479,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,329.22235,[M+H]+,20.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540480,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,329.22235,[M+H]+,20.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540481,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,329.22235,[M+H]+,60.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540482,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,329.22235,[M+H]+,30.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540483,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,329.22235,[M+H]+,20.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540484,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,329.22235,[M+H]+,60.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540485,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,329.22235,[M+H]+,30.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540486,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21,329.22235,[M+H]+,20.0,test,CC1(C)CC(NC(=O)NC2CCOC(C3CC3)C2)c2ccccc21
540487,Cc1cc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)ccc1,329.22235,[M+H]+,20.0,test,Cc1cccc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)c1
540488,Cc1cc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)ccc1,329.22235,[M+H]+,20.0,test,Cc1cccc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)c1
540489,Cc1cc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)ccc1,329.22235,[M+H]+,60.0,test,Cc1cccc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)c1
540490,Cc1cc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)ccc1,329.22235,[M+H]+,30.0,test,Cc1cccc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)c1
540491,Cc1cc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)ccc1,329.22235,[M+H]+,20.0,test,Cc1cccc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)c1
540492,Cc1cc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)ccc1,329.22235,[M+H]+,60.0,test,Cc1cccc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)c1
540493,Cc1cc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)ccc1,329.22235,[M+H]+,30.0,test,Cc1cccc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)c1
540494,Cc1cc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)ccc1,329.22235,[M+H]+,20.0,test,Cc1cccc(C(CNC(=O)C2C3CCCC32)N2CCOCC2)c1
540495,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1,329.22235,[M+H]+,20.0,test,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1
540496,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1,329.22235,[M+H]+,20.0,test,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1
540497,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1,329.22235,[M+H]+,60.0,test,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1
540498,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1,329.22235,[M+H]+,30.0,test,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1
540499,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1,329.22235,[M+H]+,20.0,test,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1
540500,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1,329.22235,[M+H]+,60.0,test,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1
540501,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1,329.22235,[M+H]+,30.0,test,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1
540502,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1,329.22235,[M+H]+,20.0,test,O=C(OC1CCCC1)N1CCN(C2CC2)CC1Cc1ccccc1
540503,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,327.2078,[M-H]-,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540504,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,327.2078,[M-H]-,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540505,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,327.2078,[M-H]-,75.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540506,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,327.2078,[M-H]-,60.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540507,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,327.2078,[M-H]-,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540508,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,363.18448,[M+Cl]-,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540509,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,373.21328,[M+FA]-,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540510,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,373.21328,[M+FA]-,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540511,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,373.21328,[M+FA]-,60.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540512,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,373.21328,[M+FA]-,15.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540513,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,373.21328,[M+FA]-,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540514,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,327.2078,[M-H]-,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540515,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,327.2078,[M-H]-,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540516,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,327.2078,[M-H]-,45.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540517,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,327.2078,[M-H]-,60.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540518,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,327.2078,[M-H]-,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540519,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,373.21328,[M+FA]-,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540520,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,373.21328,[M+FA]-,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540521,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,373.21328,[M+FA]-,60.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540522,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,373.21328,[M+FA]-,15.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540523,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,373.21328,[M+FA]-,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540524,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,373.21328,[M+FA]-,15.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540525,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,373.21328,[M+FA]-,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540526,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,373.21328,[M+FA]-,60.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540527,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,327.2078,[M-H]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540528,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,327.2078,[M-H]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540529,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,327.2078,[M-H]-,45.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540530,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,327.2078,[M-H]-,60.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540531,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,327.2078,[M-H]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540532,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,327.2078,[M-H]-,60.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540533,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,327.2078,[M-H]-,45.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540534,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,327.2078,[M-H]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540535,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,363.18448,[M+Cl]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540536,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,363.18448,[M+Cl]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540537,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,363.18448,[M+Cl]-,60.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540538,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,363.18448,[M+Cl]-,15.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540539,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,363.18448,[M+Cl]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540540,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,373.21328,[M+FA]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540541,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,373.21328,[M+FA]-,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540542,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,373.21328,[M+FA]-,60.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540543,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,329.22235,[M+H]+,20.0,test,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
540544,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,329.22235,[M+H]+,20.0,test,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
540545,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,329.22235,[M+H]+,45.0,test,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
540546,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,329.22235,[M+H]+,60.0,test,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
540547,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,329.22235,[M+H]+,20.0,test,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
540548,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1,329.22235,[M+H]+,20.0,test,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1
540549,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1,329.22235,[M+H]+,20.0,test,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1
540550,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1,329.22235,[M+H]+,60.0,test,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1
540551,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1,329.22235,[M+H]+,15.0,test,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1
540552,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1,329.22235,[M+H]+,20.0,test,CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1
540553,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1
540554,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1
540555,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,60.0,test,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1
540556,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1
540557,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,60.0,test,O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1
540558,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1,329.22235,[M+H]+,20.0,test,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1
540559,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1,329.22235,[M+H]+,20.0,test,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1
540560,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1,329.22235,[M+H]+,60.0,test,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1
540561,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1,329.22235,[M+H]+,20.0,test,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1
540562,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1,329.22235,[M+H]+,60.0,test,CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1
540563,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540564,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540565,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,329.22235,[M+H]+,60.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540566,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,329.22235,[M+H]+,30.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540567,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1
540568,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540569,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540570,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,45.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540571,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,60.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540572,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540573,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,60.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540574,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,45.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540575,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1,329.22235,[M+H]+,20.0,test,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1
540576,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,329.22235,[M+H]+,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540577,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,329.22235,[M+H]+,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540578,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,329.22235,[M+H]+,60.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540579,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,329.22235,[M+H]+,30.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540580,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,329.22235,[M+H]+,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540581,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,329.22235,[M+H]+,30.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540582,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,329.22235,[M+H]+,60.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540583,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1,329.22235,[M+H]+,20.0,test,Cc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
540584,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1,329.22235,[M+H]+,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1
540585,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1,329.22235,[M+H]+,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1
540586,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1,329.22235,[M+H]+,60.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1
540587,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1,329.22235,[M+H]+,30.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1
540588,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1,329.22235,[M+H]+,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1
540589,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1,329.22235,[M+H]+,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1
540590,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1,329.22235,[M+H]+,30.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1
540591,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1,329.22235,[M+H]+,60.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)C(C)(C)C)CC1
540592,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1,329.22235,[M+H]+,20.0,test,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1
540593,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1,329.22235,[M+H]+,20.0,test,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1
540594,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1,329.22235,[M+H]+,60.0,test,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1
540595,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1,329.22235,[M+H]+,15.0,test,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1
540596,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1,329.22235,[M+H]+,20.0,test,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1
540597,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1,329.22235,[M+H]+,60.0,test,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1
540598,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1,329.22235,[M+H]+,20.0,test,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1
540599,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1,329.22235,[M+H]+,15.0,test,COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1
540600,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,435.17077,[M-H]-,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540601,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,435.17077,[M-H]-,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540602,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,435.17077,[M-H]-,45.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540603,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,435.17077,[M-H]-,60.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540604,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,435.17077,[M-H]-,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540605,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,435.17077,[M-H]-,45.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540606,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,435.17077,[M-H]-,60.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540607,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,435.17077,[M-H]-,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540608,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,481.17624,[M+FA]-,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540609,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,481.17624,[M+FA]-,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540610,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,481.17624,[M+FA]-,60.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540611,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,481.17624,[M+FA]-,15.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540612,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,481.17624,[M+FA]-,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540613,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,481.17624,[M+FA]-,60.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540614,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,481.17624,[M+FA]-,15.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540615,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,481.17624,[M+FA]-,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540616,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,437.18532,[M+H]+,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540617,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,437.18532,[M+H]+,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540618,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,437.18532,[M+H]+,60.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540619,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,437.18532,[M+H]+,30.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540620,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,437.18532,[M+H]+,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540621,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,437.18532,[M+H]+,60.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540622,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,437.18532,[M+H]+,30.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540623,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1,437.18532,[M+H]+,20.0,test,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1
540624,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,505.15628,[M+FA]-,20.0,test,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
540625,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,505.15628,[M+FA]-,20.0,test,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
540626,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,505.15628,[M+FA]-,60.0,test,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
540627,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,505.15628,[M+FA]-,15.0,test,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
540628,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,505.15628,[M+FA]-,20.0,test,COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
540629,COc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc(C(C)=O)c1,505.15628,[M+FA]-,20.0,test,COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
540630,COc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc(C(C)=O)c1,505.15628,[M+FA]-,20.0,test,COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
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540707,COc1c(O)ccc(C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1,537.14611,[M+FA]-,20.0,test,COc1cc(C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
540708,COc1c(O)ccc(C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1,510.18173,[M+NH4]+,20.0,test,COc1cc(C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
540709,COc1c(O)ccc(C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1,510.18173,[M+NH4]+,20.0,test,COc1cc(C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
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540728,C=C1C2=CC(O)C(C)C1(C)CC/C(C)=C/CCC1(C)OC1C2=O,339.19306,[M+Na]+,20.0,test,C=C1C2=CC(O)C(C)C1(C)CC/C(C)=C/CCC1(C)OC1C2=O
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540784,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,395.20753,[M+FA]-,60.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O
540785,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,395.20753,[M+FA]-,15.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O
540786,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,395.20753,[M+FA]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O
540787,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O,349.20205,[M-H]-,20.0,test,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O
540788,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O,349.20205,[M-H]-,20.0,test,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O
540789,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O,349.20205,[M-H]-,60.0,test,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O
540790,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O,349.20205,[M-H]-,30.0,test,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O
540791,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O,349.20205,[M-H]-,20.0,test,CC/C=C\CC1C(=O)C=CC1(CCCCCCCC(=O)O)OC(C)=O
540792,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,349.20205,[M-H]-,20.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540793,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,349.20205,[M-H]-,20.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540794,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,349.20205,[M-H]-,60.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540795,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,349.20205,[M-H]-,30.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540796,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,349.20205,[M-H]-,20.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540797,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,349.20205,[M-H]-,60.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540798,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,349.20205,[M-H]-,30.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540799,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,349.20205,[M-H]-,20.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540800,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O,349.20205,[M-H]-,20.0,test,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O
540801,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O,349.20205,[M-H]-,20.0,test,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O
540802,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O,349.20205,[M-H]-,20.0,test,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O
540803,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O,395.20753,[M+FA]-,20.0,test,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O
540804,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O,395.20753,[M+FA]-,20.0,test,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O
540805,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O,395.20753,[M+FA]-,20.0,test,C=C1CCC2C(C)(C(=O)O)CC(O)CC2(C)C1CC/C(C)=C/C(=O)O
540806,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O,395.20753,[M+FA]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O
540807,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O,395.20753,[M+FA]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O
540808,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O,395.20753,[M+FA]-,60.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O
540809,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O,395.20753,[M+FA]-,15.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O
540810,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O,395.20753,[M+FA]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O
540811,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O,395.20753,[M+FA]-,60.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O
540812,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O,395.20753,[M+FA]-,15.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O
540813,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O,395.20753,[M+FA]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O
540814,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,349.20205,[M-H]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540815,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,349.20205,[M-H]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540816,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,349.20205,[M-H]-,60.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540817,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,349.20205,[M-H]-,30.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540818,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,349.20205,[M-H]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540819,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,395.20753,[M+FA]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540820,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,395.20753,[M+FA]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540821,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,395.20753,[M+FA]-,60.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540822,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,395.20753,[M+FA]-,15.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540823,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O,395.20753,[M+FA]-,20.0,test,C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC(O)C1=CCOC1=O
540824,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,349.20205,[M-H]-,20.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540825,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,349.20205,[M-H]-,20.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540826,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,349.20205,[M-H]-,60.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540827,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,349.20205,[M-H]-,20.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540828,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,349.20205,[M-H]-,45.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540829,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,349.20205,[M-H]-,60.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540830,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,349.20205,[M-H]-,20.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540831,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,349.20205,[M-H]-,45.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540832,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,395.20753,[M+FA]-,20.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540833,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,395.20753,[M+FA]-,20.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540834,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,395.20753,[M+FA]-,60.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540835,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,395.20753,[M+FA]-,15.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540836,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C,395.20753,[M+FA]-,20.0,test,CC1C2=CC(=O)OC2(O)CC2C1C(O)CC1C(C)(CO)CCCC21C
540837,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,333.20604,[M+H-H2O]+,20.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540838,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,333.20604,[M+H-H2O]+,20.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540839,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,333.20604,[M+H-H2O]+,60.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540840,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,333.20604,[M+H-H2O]+,30.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540841,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,333.20604,[M+H-H2O]+,20.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540842,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,368.24315,[M+NH4]+,20.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540843,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,368.24315,[M+NH4]+,20.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540844,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,368.24315,[M+NH4]+,60.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540845,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,368.24315,[M+NH4]+,15.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540846,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O,368.24315,[M+NH4]+,20.0,test,CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
540847,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,351.2166,[M+H]+,20.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540848,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,351.2166,[M+H]+,20.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540849,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,351.2166,[M+H]+,60.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540850,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,351.2166,[M+H]+,30.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540851,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O,351.2166,[M+H]+,20.0,test,CC(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CC(=O)CC21)CC(=O)O
540852,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O,351.2166,[M+H]+,20.0,test,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O
540853,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O,351.2166,[M+H]+,20.0,test,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O
540854,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O,351.2166,[M+H]+,60.0,test,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O
540855,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O,351.2166,[M+H]+,30.0,test,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O
540856,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O,351.2166,[M+H]+,20.0,test,CCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O
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540911,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(=O)OC1O,365.19696,[M-H]-,60.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(=O)OC1O
540912,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(=O)OC1O,365.19696,[M-H]-,30.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(=O)OC1O
540913,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(=O)OC1O,365.19696,[M-H]-,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(=O)OC1O
540914,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,365.19696,[M-H]-,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540915,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,365.19696,[M-H]-,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540916,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,365.19696,[M-H]-,60.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540917,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,365.19696,[M-H]-,30.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540918,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,365.19696,[M-H]-,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540919,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,365.19696,[M-H]-,45.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540920,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,365.19696,[M-H]-,60.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540921,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,365.19696,[M-H]-,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540922,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,384.23806,[M+NH4]+,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540923,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,384.23806,[M+NH4]+,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540924,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,384.23806,[M+NH4]+,60.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540925,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,384.23806,[M+NH4]+,15.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540926,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,384.23806,[M+NH4]+,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540927,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,384.23806,[M+NH4]+,60.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540928,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,384.23806,[M+NH4]+,15.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540929,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O,384.23806,[M+NH4]+,20.0,test,CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CCC1=CC(O)OC1=O
540930,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1,330.25399,[M+H]+,20.0,test,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1
540931,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1,330.25399,[M+H]+,20.0,test,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1
540932,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1,330.25399,[M+H]+,60.0,test,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1
540933,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1,330.25399,[M+H]+,30.0,test,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1
540934,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1,330.25399,[M+H]+,20.0,test,O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1
540935,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1,330.25399,[M+H]+,20.0,test,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1
540936,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1,330.25399,[M+H]+,20.0,test,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1
540937,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1,330.25399,[M+H]+,45.0,test,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1
540938,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1,330.25399,[M+H]+,60.0,test,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1
540939,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1,330.25399,[M+H]+,20.0,test,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1
540940,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1,330.25399,[M+H]+,60.0,test,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1
540941,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1,330.25399,[M+H]+,45.0,test,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1
540942,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1,330.25399,[M+H]+,20.0,test,c1ccc(N2CCN(C3CCN(CC4CCCO4)CC3)CC2)cc1
540943,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1,330.25399,[M+H]+,20.0,test,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1
540944,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1,330.25399,[M+H]+,20.0,test,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1
540945,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1,330.25399,[M+H]+,60.0,test,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1
540946,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1,330.25399,[M+H]+,30.0,test,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1
540947,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1,330.25399,[M+H]+,20.0,test,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1
540948,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1,330.25399,[M+H]+,30.0,test,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1
540949,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1,330.25399,[M+H]+,20.0,test,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1
540950,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1,330.25399,[M+H]+,60.0,test,O=C(NCCCN1CCC(c2ccccc2)C1)NC1CCCCC1
540951,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,408.21718,[M+Cl]-,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540952,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,408.21718,[M+Cl]-,15.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540953,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,418.24598,[M+FA]-,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540954,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,418.24598,[M+FA]-,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540955,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,418.24598,[M+FA]-,60.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540956,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,418.24598,[M+FA]-,15.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540957,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,418.24598,[M+FA]-,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540958,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,418.24598,[M+FA]-,60.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540959,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,418.24598,[M+FA]-,15.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540960,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,418.24598,[M+FA]-,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540961,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,418.24598,[M+FA]-,20.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540962,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,418.24598,[M+FA]-,20.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540963,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,418.24598,[M+FA]-,60.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540964,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,418.24598,[M+FA]-,15.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540965,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,418.24598,[M+FA]-,20.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540966,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,418.24598,[M+FA]-,60.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540967,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,418.24598,[M+FA]-,15.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540968,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,418.24598,[M+FA]-,20.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540969,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,374.25505,[M+H]+,20.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540970,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,374.25505,[M+H]+,20.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540971,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,374.25505,[M+H]+,60.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540972,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,374.25505,[M+H]+,20.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540973,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,374.25505,[M+H]+,45.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540974,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,374.25505,[M+H]+,60.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540975,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,374.25505,[M+H]+,20.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540976,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1,374.25505,[M+H]+,45.0,test,CC1CCN(C(=O)N2C[C@@H](CNC(=O)C3CC3)[C@H](c3cncn3C)C2)CC1
540977,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,374.25505,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540978,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,374.25505,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540979,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,374.25505,[M+H]+,60.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540980,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,374.25505,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540981,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,374.25505,[M+H]+,45.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540982,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,374.25505,[M+H]+,60.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540983,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,374.25505,[M+H]+,20.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540984,CC(=O)N1CCN(C(=O)NCc2cnc3CCCCn23)CC12CCCCC2,374.25505,[M+H]+,45.0,test,CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC12CCCCC2
540985,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1,374.25505,[M+H]+,20.0,test,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1
540986,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1,374.25505,[M+H]+,20.0,test,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1
540987,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1,374.25505,[M+H]+,45.0,test,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1
540988,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1,374.25505,[M+H]+,60.0,test,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1
540989,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1,374.25505,[M+H]+,20.0,test,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1
540990,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1,374.25505,[M+H]+,45.0,test,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1
540991,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1,374.25505,[M+H]+,60.0,test,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1
540992,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1,374.25505,[M+H]+,20.0,test,CCN1CCN(CC#CCOC2CCN(c3nccn(C)c3=O)CC2)CC1
540993,COc1cc(CN(CCO)C(=O)CC2CCCCCC2)c(OC)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(OC)c(CN(CCO)C(=O)CC2CCCCCC2)c1
540994,COc1cc(CN(CCO)C(=O)CC2CCCCCC2)c(OC)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(OC)c(CN(CCO)C(=O)CC2CCCCCC2)c1
540995,COc1cc(CN(CCO)C(=O)CC2CCCCCC2)c(OC)cc1,350.23258,[M+H]+,60.0,test,COc1ccc(OC)c(CN(CCO)C(=O)CC2CCCCCC2)c1
540996,COc1cc(CN(CCO)C(=O)CC2CCCCCC2)c(OC)cc1,350.23258,[M+H]+,15.0,test,COc1ccc(OC)c(CN(CCO)C(=O)CC2CCCCCC2)c1
540997,COc1cc(CN(CCO)C(=O)CC2CCCCCC2)c(OC)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(OC)c(CN(CCO)C(=O)CC2CCCCCC2)c1
540998,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
540999,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541000,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,60.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541001,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541002,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,45.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541003,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,60.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541004,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541005,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,45.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541006,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541007,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541008,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,60.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541009,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541010,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,45.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541011,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,60.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541012,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,20.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541013,COc1c(OC)cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1,350.23258,[M+H]+,45.0,test,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
541014,CCN(CC)CCOC(=O)C1(c2cc(OC)c(OC)cc2)CCCC1,350.23258,[M+H]+,20.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541015,CCN(CC)CCOC(=O)C1(c2cc(OC)c(OC)cc2)CCCC1,350.23258,[M+H]+,20.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541016,CCN(CC)CCOC(=O)C1(c2cc(OC)c(OC)cc2)CCCC1,350.23258,[M+H]+,60.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541017,CCN(CC)CCOC(=O)C1(c2cc(OC)c(OC)cc2)CCCC1,350.23258,[M+H]+,30.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541018,CCN(CC)CCOC(=O)C1(c2cc(OC)c(OC)cc2)CCCC1,350.23258,[M+H]+,20.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541019,CCN(CC)CCOC(=O)C1(c2cc(OC)c(OC)cc2)CCCC1,350.23258,[M+H]+,60.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541020,CCN(CC)CCOC(=O)C1(c2cc(OC)c(OC)cc2)CCCC1,350.23258,[M+H]+,30.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541021,CCN(CC)CCOC(=O)C1(c2cc(OC)c(OC)cc2)CCCC1,350.23258,[M+H]+,20.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541022,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,384.19471,[M+Cl]-,20.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541023,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,384.19471,[M+Cl]-,60.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541024,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,394.22351,[M+FA]-,20.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541025,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,394.22351,[M+FA]-,60.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541026,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,394.22351,[M+FA]-,15.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541027,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,394.22351,[M+FA]-,20.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541028,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,350.23258,[M+H]+,20.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541029,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,350.23258,[M+H]+,20.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541030,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,350.23258,[M+H]+,60.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541031,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,350.23258,[M+H]+,30.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541032,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,350.23258,[M+H]+,20.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541033,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,350.23258,[M+H]+,60.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541034,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,350.23258,[M+H]+,20.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541035,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,350.23258,[M+H]+,30.0,test,CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
541036,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,350.23258,[M+H]+,20.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541037,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,350.23258,[M+H]+,20.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541038,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,350.23258,[M+H]+,60.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541039,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,350.23258,[M+H]+,30.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541040,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,350.23258,[M+H]+,20.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541041,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,350.23258,[M+H]+,45.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541042,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,350.23258,[M+H]+,60.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541043,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC,350.23258,[M+H]+,20.0,test,CCOc1cc(C(=O)NC2CCCCC2C)cc(OCC)c1OCC
541044,CN1CC(c2nc(N)ncc2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2,389.26595,[M+H]+,20.0,test,CN1CC(c2ccnc(N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2
541045,CN1CC(c2nc(N)ncc2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2,389.26595,[M+H]+,20.0,test,CN1CC(c2ccnc(N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2
541046,CN1CC(c2nc(N)ncc2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2,389.26595,[M+H]+,60.0,test,CN1CC(c2ccnc(N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2
541047,CN1CC(c2nc(N)ncc2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2,389.26595,[M+H]+,20.0,test,CN1CC(c2ccnc(N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2
541048,CN1CC(c2nc(N)ncc2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2,389.26595,[M+H]+,45.0,test,CN1CC(c2ccnc(N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2
541049,CN1CC(c2nc(N)ncc2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2,389.26595,[M+H]+,60.0,test,CN1CC(c2ccnc(N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2
541050,CN1CC(c2nc(N)ncc2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2,389.26595,[M+H]+,20.0,test,CN1CC(c2ccnc(N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2
541051,CN1CC(c2nc(N)ncc2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2,389.26595,[M+H]+,45.0,test,CN1CC(c2ccnc(N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2
541052,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,20.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541053,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,20.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541054,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,60.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541055,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,20.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541056,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,45.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541057,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,60.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541058,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,20.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541059,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,45.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541060,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,20.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541061,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,20.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541062,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,60.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541063,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,30.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541064,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,20.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541065,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,60.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541066,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,30.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541067,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,336.25332,[M+H]+,20.0,test,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
541068,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541069,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541070,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541071,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,30.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541072,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541073,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541074,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541075,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,15.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541076,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541077,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541078,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541079,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541080,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,30.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541081,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541082,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541083,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,30.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541084,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541085,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541086,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541087,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541088,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,30.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541089,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541090,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541091,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,30.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541092,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541093,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541094,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541095,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541096,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,15.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541097,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,389.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541098,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541099,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541100,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541101,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,15.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541102,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541103,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541104,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541105,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541106,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,15.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541107,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,319.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541108,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,337.23734,[M+H-H2O]+,15.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541109,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,337.23734,[M+H-H2O]+,15.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541110,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,337.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541111,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,337.23734,[M+H-H2O]+,60.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541112,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,337.23734,[M+H-H2O]+,15.0,test,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
541113,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,353.23335,[M-H]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541114,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,353.23335,[M-H]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541115,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,353.23335,[M-H]-,60.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541116,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,353.23335,[M-H]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541117,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,353.23335,[M-H]-,45.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541118,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,389.21003,[M+Cl]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541119,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,389.21003,[M+Cl]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541120,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,389.21003,[M+Cl]-,60.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541121,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,389.21003,[M+Cl]-,30.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541122,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,389.21003,[M+Cl]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541123,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,399.23883,[M+FA]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541124,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,399.23883,[M+FA]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541125,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,399.23883,[M+FA]-,60.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541126,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,399.23883,[M+FA]-,15.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541127,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,399.23883,[M+FA]-,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541128,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,355.2479,[M+H]+,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541129,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,355.2479,[M+H]+,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541130,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,355.2479,[M+H]+,60.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541131,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,355.2479,[M+H]+,15.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541132,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO,355.2479,[M+H]+,20.0,test,CC1CCC2(CO)C(C(=O)O)=CCCC2C1(C)CCC(CO)CCO
541133,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
541134,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
541135,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,353.23335,[M-H]-,60.0,test,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
541136,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,353.23335,[M-H]-,15.0,test,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
541137,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
541138,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,353.23335,[M-H]-,20.0,test,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
541139,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,353.23335,[M-H]-,15.0,test,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
541140,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,353.23335,[M-H]-,60.0,test,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
541141,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2,350.2802,[M+H]+,20.0,test,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2
541142,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2,350.2802,[M+H]+,20.0,test,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2
541143,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2,350.2802,[M+H]+,15.0,test,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2
541144,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2,350.2802,[M+H]+,60.0,test,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2
541145,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2,350.2802,[M+H]+,20.0,test,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2
541146,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2,350.2802,[M+H]+,45.0,test,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2
541147,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2,350.2802,[M+H]+,60.0,test,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2
541148,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2,350.2802,[M+H]+,20.0,test,O=C(NCC1(N2CCCCC2)CCCCC1)N1C2CCC1CC(O)C2
541149,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1,350.2802,[M+H]+,20.0,test,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
541150,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1,350.2802,[M+H]+,20.0,test,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
541151,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1,350.2802,[M+H]+,45.0,test,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
541152,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1,350.2802,[M+H]+,60.0,test,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
541153,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1,350.2802,[M+H]+,20.0,test,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
541154,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1,350.2802,[M+H]+,60.0,test,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
541155,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1,350.2802,[M+H]+,45.0,test,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
541156,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1,350.2802,[M+H]+,20.0,test,CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
541157,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,970.4919,[M-H]-,20.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541158,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,970.4919,[M-H]-,20.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541159,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,970.4919,[M-H]-,60.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541160,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,970.4919,[M-H]-,30.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541161,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,970.4919,[M-H]-,20.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541162,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,970.4919,[M-H]-,60.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541163,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,970.4919,[M-H]-,30.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541164,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,970.4919,[M-H]-,20.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541165,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c(I)c(O)c(I)cc32)c2c1c(Cl)c(Cl)c(Cl)c2Cl,972.50645,[M+H]+,20.0,test,O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
541166,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,405.07599,[M-H]-,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541167,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,405.07599,[M-H]-,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541168,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,405.07599,[M-H]-,60.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541169,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,405.07599,[M-H]-,30.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541170,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,405.07599,[M-H]-,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541171,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,407.09054,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541172,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,407.09054,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541173,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,407.09054,[M+H]+,60.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541174,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,407.09054,[M+H]+,15.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541175,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,407.09054,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541176,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,424.11709,[M+NH4]+,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541177,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,424.11709,[M+NH4]+,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541178,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,424.11709,[M+NH4]+,60.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541179,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,424.11709,[M+NH4]+,30.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541180,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,424.11709,[M+NH4]+,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541181,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,424.11709,[M+NH4]+,30.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541182,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,424.11709,[M+NH4]+,60.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541183,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,424.11709,[M+NH4]+,20.0,test,COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
541184,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cc(F)ccc3)no2)n1C1CC1,445.09406,[M+H]+,20.0,test,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cccc(F)c3)no2)n1C1CC1
541185,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cc(F)ccc3)no2)n1C1CC1,445.09406,[M+H]+,20.0,test,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cccc(F)c3)no2)n1C1CC1
541186,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cc(F)ccc3)no2)n1C1CC1,445.09406,[M+H]+,30.0,test,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cccc(F)c3)no2)n1C1CC1
541187,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cc(F)ccc3)no2)n1C1CC1,445.09406,[M+H]+,60.0,test,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cccc(F)c3)no2)n1C1CC1
541188,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cc(F)ccc3)no2)n1C1CC1,445.09406,[M+H]+,20.0,test,O=c1c2cc(F)c(F)cc2nc(SCc2nc(Cc3cccc(F)c3)no2)n1C1CC1
541189,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1,464.06703,[M-H]-,20.0,test,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1
541190,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1,464.06703,[M-H]-,20.0,test,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1
541191,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1,464.06703,[M-H]-,60.0,test,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1
541192,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1,464.06703,[M-H]-,20.0,test,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1
541193,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1,464.06703,[M-H]-,45.0,test,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1
541194,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1,464.06703,[M-H]-,60.0,test,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1
541195,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1,464.06703,[M-H]-,20.0,test,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1
541196,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1,464.06703,[M-H]-,45.0,test,O=c1c(N=Nc2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1
541197,Cc1c(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cco1,400.12674,[M+H]+,20.0,test,Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
541198,Cc1c(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cco1,400.12674,[M+H]+,20.0,test,Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
541199,Cc1c(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cco1,400.12674,[M+H]+,60.0,test,Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
541200,Cc1c(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cco1,400.12674,[M+H]+,20.0,test,Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
541201,Cc1c(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cco1,400.12674,[M+H]+,45.0,test,Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
541202,Cc1c(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cco1,400.12674,[M+H]+,60.0,test,Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
541203,Cc1c(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cco1,400.12674,[M+H]+,20.0,test,Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
541204,Cc1c(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cco1,400.12674,[M+H]+,45.0,test,Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
541205,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,426.11833,[M-H]-,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541206,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,426.11833,[M-H]-,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541207,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,426.11833,[M-H]-,60.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541208,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,426.11833,[M-H]-,30.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541209,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,426.11833,[M-H]-,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541210,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,426.11833,[M-H]-,30.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541211,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,426.11833,[M-H]-,60.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541212,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,426.11833,[M-H]-,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541213,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,462.09501,[M+Cl]-,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541214,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,462.09501,[M+Cl]-,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541215,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,462.09501,[M+Cl]-,60.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541216,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,428.13288,[M+H]+,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541217,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,428.13288,[M+H]+,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541218,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,428.13288,[M+H]+,60.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541219,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,428.13288,[M+H]+,30.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541220,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1,428.13288,[M+H]+,20.0,test,O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
541221,Cc1c(NC(=O)c2cccn(C)c2=O)ccc(-c2nc3c(ccc(F)c3)s2)c1,394.102,[M+H]+,20.0,test,Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1cccn(C)c1=O
541222,Cc1c(NC(=O)c2cccn(C)c2=O)ccc(-c2nc3c(ccc(F)c3)s2)c1,394.102,[M+H]+,20.0,test,Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1cccn(C)c1=O
541223,Cc1c(NC(=O)c2cccn(C)c2=O)ccc(-c2nc3c(ccc(F)c3)s2)c1,394.102,[M+H]+,60.0,test,Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1cccn(C)c1=O
541224,Cc1c(NC(=O)c2cccn(C)c2=O)ccc(-c2nc3c(ccc(F)c3)s2)c1,394.102,[M+H]+,30.0,test,Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1cccn(C)c1=O
541225,Cc1c(NC(=O)c2cccn(C)c2=O)ccc(-c2nc3c(ccc(F)c3)s2)c1,394.102,[M+H]+,20.0,test,Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1cccn(C)c1=O
541226,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O,441.04444,[M+H]+,20.0,test,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O
541227,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O,441.04444,[M+H]+,20.0,test,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O
541228,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O,441.04444,[M+H]+,45.0,test,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O
541229,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O,441.04444,[M+H]+,60.0,test,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O
541230,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O,441.04444,[M+H]+,20.0,test,COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O
541231,COc1c(NC(=S)NC(=O)c2c(OC)c(Cl)cc(Cl)c2)cc(NC(=O)c2ccco2)cc1,494.03387,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC
541232,COc1c(NC(=S)NC(=O)c2c(OC)c(Cl)cc(Cl)c2)cc(NC(=O)c2ccco2)cc1,494.03387,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC
541233,COc1c(NC(=S)NC(=O)c2c(OC)c(Cl)cc(Cl)c2)cc(NC(=O)c2ccco2)cc1,494.03387,[M+H]+,60.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC
541234,COc1c(NC(=S)NC(=O)c2c(OC)c(Cl)cc(Cl)c2)cc(NC(=O)c2ccco2)cc1,494.03387,[M+H]+,30.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC
541235,COc1c(NC(=S)NC(=O)c2c(OC)c(Cl)cc(Cl)c2)cc(NC(=O)c2ccco2)cc1,494.03387,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC
541236,COc1c(NC(=S)NC(=O)c2c(OC)c(Cl)cc(Cl)c2)cc(NC(=O)c2ccco2)cc1,494.03387,[M+H]+,60.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC
541237,COc1c(NC(=S)NC(=O)c2c(OC)c(Cl)cc(Cl)c2)cc(NC(=O)c2ccco2)cc1,494.03387,[M+H]+,30.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC
541238,COc1c(NC(=S)NC(=O)c2c(OC)c(Cl)cc(Cl)c2)cc(NC(=O)c2ccco2)cc1,494.03387,[M+H]+,20.0,test,COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC
541239,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,477.01159,[M-H]-,20.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541240,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,477.01159,[M-H]-,20.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541241,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,477.01159,[M-H]-,60.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541242,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,477.01159,[M-H]-,15.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541243,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,477.01159,[M-H]-,20.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541244,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,479.02614,[M+H]+,15.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541245,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,479.02614,[M+H]+,15.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541246,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,479.02614,[M+H]+,20.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541247,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,479.02614,[M+H]+,60.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541248,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,479.02614,[M+H]+,15.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541249,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,479.02614,[M+H]+,20.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541250,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,479.02614,[M+H]+,60.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541251,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1c2ncccc2ccc1)C(Cl)(Cl)Cl,479.02614,[M+H]+,15.0,test,O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
541252,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,363.09058,[M-H]-,20.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541253,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,363.09058,[M-H]-,20.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541254,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,363.09058,[M-H]-,60.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541255,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,363.09058,[M-H]-,30.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541256,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,363.09058,[M-H]-,20.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541257,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,365.10513,[M+H]+,20.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541258,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,365.10513,[M+H]+,20.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541259,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,365.10513,[M+H]+,60.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541260,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,365.10513,[M+H]+,15.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541261,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1,365.10513,[M+H]+,20.0,test,O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1
541262,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,347.09457,[M+H-H2O]+,20.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541263,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,347.09457,[M+H-H2O]+,20.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541264,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,347.09457,[M+H-H2O]+,45.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541265,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,347.09457,[M+H-H2O]+,60.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541266,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,347.09457,[M+H-H2O]+,20.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541267,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,365.10513,[M+H]+,30.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541268,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,365.10513,[M+H]+,30.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541269,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,365.10513,[M+H]+,20.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541270,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,365.10513,[M+H]+,60.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541271,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21,365.10513,[M+H]+,30.0,test,O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21
541272,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,455.05863,[M-H]-,20.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541273,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,455.05863,[M-H]-,20.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541274,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,455.05863,[M-H]-,60.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541275,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,455.05863,[M-H]-,20.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541276,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,455.05863,[M-H]-,45.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541277,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,457.07318,[M+H]+,45.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541278,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,457.07318,[M+H]+,45.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541279,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,457.07318,[M+H]+,20.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541280,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,457.07318,[M+H]+,60.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541281,COc1ccc(-c2nnc(-c3c(Cl)ccc(S(=O)(=O)NCc4cnccc4)c3)o2)cc1,457.07318,[M+H]+,45.0,test,COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCc4cccnc4)ccc3Cl)o2)cc1
541282,FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncccc34)cc2)cc1,383.14781,[M+H]+,20.0,test,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
541283,FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncccc34)cc2)cc1,383.14781,[M+H]+,20.0,test,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
541284,FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncccc34)cc2)cc1,383.14781,[M+H]+,60.0,test,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
541285,FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncccc34)cc2)cc1,383.14781,[M+H]+,20.0,test,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
541286,FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncccc34)cc2)cc1,383.14781,[M+H]+,45.0,test,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
541287,FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncccc34)cc2)cc1,383.14781,[M+H]+,60.0,test,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
541288,FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncccc34)cc2)cc1,383.14781,[M+H]+,20.0,test,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
541289,FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncccc34)cc2)cc1,383.14781,[M+H]+,45.0,test,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
541290,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,440.09425,[M+H]+,20.0,test,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
541291,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,440.09425,[M+H]+,20.0,test,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
541292,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,440.09425,[M+H]+,45.0,test,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
541293,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,440.09425,[M+H]+,60.0,test,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
541294,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,440.09425,[M+H]+,20.0,test,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
541295,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,440.09425,[M+H]+,60.0,test,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
541296,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,440.09425,[M+H]+,45.0,test,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
541297,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,440.09425,[M+H]+,20.0,test,Cc1c(N=C2SCC(=O)N2/N=C\c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
541298,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1,424.11709,[M+H]+,30.0,test,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1
541299,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1,424.11709,[M+H]+,30.0,test,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1
541300,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1,424.11709,[M+H]+,20.0,test,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1
541301,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1,424.11709,[M+H]+,60.0,test,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1
541302,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1,424.11709,[M+H]+,30.0,test,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1
541303,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1,424.11709,[M+H]+,20.0,test,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1
541304,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1,424.11709,[M+H]+,30.0,test,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1
541305,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1,424.11709,[M+H]+,60.0,test,CCn1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)n1
541306,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,367.12636,[M-H]-,20.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541307,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,367.12636,[M-H]-,20.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541308,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,367.12636,[M-H]-,60.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541309,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,367.12636,[M-H]-,20.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541310,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,367.12636,[M-H]-,60.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541311,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,367.12636,[M-H]-,20.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541312,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,369.14091,[M+H]+,20.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541313,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,369.14091,[M+H]+,20.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541314,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,369.14091,[M+H]+,60.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541315,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,369.14091,[M+H]+,20.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541316,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,369.14091,[M+H]+,75.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541317,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,369.14091,[M+H]+,60.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541318,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,369.14091,[M+H]+,20.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541319,Oc1c(F)cc(-c2c(-c3ccc(N4CCOCC4)cc3)ccnc2)cc1F,369.14091,[M+H]+,75.0,test,Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F
541320,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,374.14226,[M-H]-,15.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541321,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,374.14226,[M-H]-,15.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541322,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,374.14226,[M-H]-,20.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541323,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,374.14226,[M-H]-,60.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541324,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,374.14226,[M-H]-,15.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541325,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,410.11894,[M+Cl]-,20.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541326,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,410.11894,[M+Cl]-,20.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541327,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,410.11894,[M+Cl]-,60.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541328,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,410.11894,[M+Cl]-,15.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541329,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,410.11894,[M+Cl]-,20.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541330,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,376.15681,[M+H]+,20.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541331,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,376.15681,[M+H]+,20.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541332,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,376.15681,[M+H]+,60.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541333,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,376.15681,[M+H]+,20.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541334,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,376.15681,[M+H]+,45.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541335,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,376.15681,[M+H]+,60.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541336,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,376.15681,[M+H]+,20.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541337,Cc1cc(NC(=O)Nc2ccc(-c3c4c(N)n[nH]c4ccc3)cc2)c(F)cc1,376.15681,[M+H]+,45.0,test,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
541338,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,421.0976,[M-H]-,20.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541339,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,421.0976,[M-H]-,20.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541340,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,421.0976,[M-H]-,60.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541341,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,421.0976,[M-H]-,20.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541342,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,421.0976,[M-H]-,45.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541343,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,423.11215,[M+H]+,20.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541344,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,423.11215,[M+H]+,20.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541345,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,423.11215,[M+H]+,60.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541346,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,423.11215,[M+H]+,20.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541347,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,423.11215,[M+H]+,45.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541348,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,423.11215,[M+H]+,60.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541349,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,423.11215,[M+H]+,20.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541350,CCOC(=O)c1cnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)cnc3)cn12,423.11215,[M+H]+,45.0,test,CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
541351,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1,488.99477,[M-H]-,20.0,test,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1
541352,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1,488.99477,[M-H]-,20.0,test,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1
541353,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1,488.99477,[M-H]-,60.0,test,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1
541354,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1,488.99477,[M-H]-,20.0,test,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1
541355,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1,488.99477,[M-H]-,45.0,test,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1
541356,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1,491.00932,[M+H]+,20.0,test,CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Sc1ccccc1
541357,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,431.10918,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541358,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,431.10918,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541359,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,431.10918,[M-H]-,45.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541360,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,431.10918,[M-H]-,60.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541361,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,431.10918,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541362,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,467.08586,[M+Cl]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541363,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,467.08586,[M+Cl]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541364,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,467.08586,[M+Cl]-,60.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541365,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,467.08586,[M+Cl]-,15.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541366,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,477.11466,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541367,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,477.11466,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541368,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,477.11466,[M+FA]-,60.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541369,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,477.11466,[M+FA]-,15.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541370,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,477.11466,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541371,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,433.12374,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541372,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,433.12374,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541373,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,433.12374,[M+H]+,60.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541374,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,433.12374,[M+H]+,30.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541375,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1,433.12374,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1
541376,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541377,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541378,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,60.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541379,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,30.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541380,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541381,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541382,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541383,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,15.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541384,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541385,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541386,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541387,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,60.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541388,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,30.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541389,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,393.11238,[M-H]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541390,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541391,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541392,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,30.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541393,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,60.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541394,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,429.08906,[M+Cl]-,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541395,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1,394.11911,[M]+,20.0,test,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1
541396,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1,394.11911,[M]+,20.0,test,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1
541397,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1,394.11911,[M]+,60.0,test,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1
541398,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1,394.11911,[M]+,20.0,test,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1
541399,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1,394.11911,[M]+,45.0,test,CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1
541400,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541401,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541402,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,60.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541403,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,30.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541404,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541405,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,60.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541406,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,30.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541407,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541408,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541409,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541410,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,30.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541411,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,60.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541412,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541413,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,45.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541414,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,60.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541415,Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3c(C)nccc3)cc1)CC2,395.12693,[M+H]+,20.0,test,Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
541416,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,409.10729,[M-H]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541417,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,409.10729,[M-H]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541418,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,409.10729,[M-H]-,60.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541419,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,409.10729,[M-H]-,30.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541420,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,409.10729,[M-H]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541421,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,409.10729,[M-H]-,60.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541422,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,409.10729,[M-H]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541423,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,409.10729,[M-H]-,30.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541424,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,445.08397,[M+Cl]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541425,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,445.08397,[M+Cl]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541426,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,445.08397,[M+Cl]-,15.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541427,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,455.11277,[M+FA]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541428,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,455.11277,[M+FA]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541429,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,455.11277,[M+FA]-,60.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541430,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,455.11277,[M+FA]-,15.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541431,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,455.11277,[M+FA]-,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541432,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,411.12184,[M+H]+,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541433,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,411.12184,[M+H]+,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541434,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,411.12184,[M+H]+,60.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541435,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,411.12184,[M+H]+,30.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541436,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,411.12184,[M+H]+,20.0,test,CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
541437,Cc1nc2ccccc2c(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c1,395.14126,[M+FA]-,20.0,test,Cc1cc(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c2ccccc2n1
541438,Cc1nc2ccccc2c(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c1,395.14126,[M+FA]-,60.0,test,Cc1cc(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c2ccccc2n1
541439,Cc1nc2ccccc2c(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c1,395.14126,[M+FA]-,15.0,test,Cc1cc(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c2ccccc2n1
541440,Cc1nc2ccccc2c(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c1,395.14126,[M+FA]-,20.0,test,Cc1cc(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c2ccccc2n1
541441,Cc1nc2ccccc2c(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c1,351.15033,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c2ccccc2n1
541442,Cc1nc2ccccc2c(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c1,351.15033,[M+H]+,20.0,test,Cc1cc(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c2ccccc2n1
541443,Cc1nc2ccccc2c(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c1,351.15033,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c2ccccc2n1
541444,Cc1nc2ccccc2c(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c1,351.15033,[M+H]+,60.0,test,Cc1cc(C(=O)N2CCC(O)(c3ccc(F)cc3)C2)c2ccccc2n1
541445,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,349.13578,[M-H]-,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541446,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,349.13578,[M-H]-,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541447,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,349.13578,[M-H]-,60.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541448,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,349.13578,[M-H]-,30.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541449,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,349.13578,[M-H]-,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541450,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,385.11246,[M+Cl]-,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541451,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,385.11246,[M+Cl]-,60.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541452,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,395.14126,[M+FA]-,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541453,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,395.14126,[M+FA]-,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541454,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,395.14126,[M+FA]-,60.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541455,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,395.14126,[M+FA]-,15.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541456,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,395.14126,[M+FA]-,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541457,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C,351.15033,[M+H]+,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C
541458,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C,351.15033,[M+H]+,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C
541459,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C,351.15033,[M+H]+,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C
541460,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C,351.15033,[M+H]+,30.0,test,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C
541461,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C,351.15033,[M+H]+,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C
541462,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C,351.15033,[M+H]+,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C
541463,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C,351.15033,[M+H]+,30.0,test,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C
541464,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C,351.15033,[M+H]+,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CCC1C
541465,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,351.15033,[M+H]+,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541466,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,351.15033,[M+H]+,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541467,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,351.15033,[M+H]+,60.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541468,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,351.15033,[M+H]+,15.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541469,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,351.15033,[M+H]+,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541470,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,351.15033,[M+H]+,20.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541471,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,351.15033,[M+H]+,60.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541472,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1,351.15033,[M+H]+,15.0,test,O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
541473,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,413.09768,[M-H]-,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541474,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,413.09768,[M-H]-,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541475,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,413.09768,[M-H]-,60.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541476,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,413.09768,[M-H]-,15.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541477,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,413.09768,[M-H]-,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541478,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,413.09768,[M-H]-,15.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541479,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,413.09768,[M-H]-,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541480,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,413.09768,[M-H]-,60.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541481,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,459.10316,[M+FA]-,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541482,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,459.10316,[M+FA]-,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541483,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,459.10316,[M+FA]-,60.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541484,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,459.10316,[M+FA]-,15.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541485,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,459.10316,[M+FA]-,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541486,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,415.11223,[M+H]+,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541487,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,415.11223,[M+H]+,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541488,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,415.11223,[M+H]+,60.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541489,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,415.11223,[M+H]+,15.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541490,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,415.11223,[M+H]+,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541491,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,415.11223,[M+H]+,60.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541492,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,415.11223,[M+H]+,20.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541493,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F,415.11223,[M+H]+,15.0,test,CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F
541494,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,406.14084,[M+FA]-,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541495,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,406.14084,[M+FA]-,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541496,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,406.14084,[M+FA]-,60.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541497,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,406.14084,[M+FA]-,15.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541498,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,406.14084,[M+FA]-,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541499,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541500,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541501,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,60.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541502,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,15.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541503,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541504,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,60.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541505,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,15.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541506,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541507,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541508,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541509,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,30.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541510,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,60.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541511,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,15.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541512,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541513,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,60.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541514,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,362.14992,[M+H]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541515,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,379.17646,[M+NH4]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541516,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,379.17646,[M+NH4]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541517,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,379.17646,[M+NH4]+,60.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541518,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,379.17646,[M+NH4]+,15.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541519,CNC(=O)c1cc(NC(=O)c2c(C3CC3)oc(-c3ccccc3)n2)ccc1,379.17646,[M+NH4]+,20.0,test,CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1
541520,COCCOc1ccc(-c2cn(-c3ccccc3)c3c2c(=O)[nH]cn3)cc1,362.14992,[M+H]+,45.0,test,COCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
541521,COCCOc1ccc(-c2cn(-c3ccccc3)c3c2c(=O)[nH]cn3)cc1,362.14992,[M+H]+,45.0,test,COCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
541522,COCCOc1ccc(-c2cn(-c3ccccc3)c3c2c(=O)[nH]cn3)cc1,362.14992,[M+H]+,20.0,test,COCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
541523,COCCOc1ccc(-c2cn(-c3ccccc3)c3c2c(=O)[nH]cn3)cc1,362.14992,[M+H]+,60.0,test,COCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
541524,COCCOc1ccc(-c2cn(-c3ccccc3)c3c2c(=O)[nH]cn3)cc1,362.14992,[M+H]+,45.0,test,COCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
541525,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,360.13537,[M-H]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541526,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,360.13537,[M-H]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541527,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,360.13537,[M-H]-,60.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541528,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,360.13537,[M-H]-,30.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541529,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,360.13537,[M-H]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541530,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,360.13537,[M-H]-,30.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541531,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,360.13537,[M-H]-,60.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541532,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,360.13537,[M-H]-,20.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541533,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,362.14992,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541534,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,362.14992,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541535,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,362.14992,[M+H]+,60.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541536,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,362.14992,[M+H]+,30.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541537,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,362.14992,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541538,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,362.14992,[M+H]+,60.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541539,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,362.14992,[M+H]+,30.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541540,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1,362.14992,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1
541541,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,20.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541542,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,20.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541543,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,60.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541544,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,20.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541545,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,60.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541546,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,20.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541547,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,20.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541548,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,20.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541549,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,60.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541550,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,20.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541551,CNC(=O)c1c(C)oc2c1ccc(Oc1ncnc3cc(OC)c(OC)cc13)c2,394.13975,[M+H]+,45.0,test,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
541552,CCOC(=O)Cn1nc(-c2cc3c(cc2)OCC(=O)N3C)c2ccccc2c1=O,394.13975,[M+H]+,30.0,test,CCOC(=O)Cn1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c2ccccc2c1=O
541553,CCOC(=O)Cn1nc(-c2cc3c(cc2)OCC(=O)N3C)c2ccccc2c1=O,394.13975,[M+H]+,30.0,test,CCOC(=O)Cn1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c2ccccc2c1=O
541554,CCOC(=O)Cn1nc(-c2cc3c(cc2)OCC(=O)N3C)c2ccccc2c1=O,394.13975,[M+H]+,60.0,test,CCOC(=O)Cn1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c2ccccc2c1=O
541555,CCOC(=O)Cn1nc(-c2cc3c(cc2)OCC(=O)N3C)c2ccccc2c1=O,394.13975,[M+H]+,20.0,test,CCOC(=O)Cn1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c2ccccc2c1=O
541556,CCOC(=O)Cn1nc(-c2cc3c(cc2)OCC(=O)N3C)c2ccccc2c1=O,394.13975,[M+H]+,30.0,test,CCOC(=O)Cn1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c2ccccc2c1=O
541557,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,20.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541558,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,20.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541559,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,60.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541560,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,20.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541561,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,45.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541562,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,20.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541563,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,20.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541564,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,60.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541565,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,20.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541566,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,406.13322,[M+H]+,45.0,test,CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
541567,Nc1ncc(-c2nc(C(=O)Nc3cc4c(nc3)nc(N3CCOCC3)o4)ccc2)cc1,418.16221,[M+H]+,20.0,test,Nc1ccc(-c2cccc(C(=O)Nc3cnc4nc(N5CCOCC5)oc4c3)n2)cn1
541568,Nc1ncc(-c2nc(C(=O)Nc3cc4c(nc3)nc(N3CCOCC3)o4)ccc2)cc1,418.16221,[M+H]+,20.0,test,Nc1ccc(-c2cccc(C(=O)Nc3cnc4nc(N5CCOCC5)oc4c3)n2)cn1
541569,Nc1ncc(-c2nc(C(=O)Nc3cc4c(nc3)nc(N3CCOCC3)o4)ccc2)cc1,418.16221,[M+H]+,60.0,test,Nc1ccc(-c2cccc(C(=O)Nc3cnc4nc(N5CCOCC5)oc4c3)n2)cn1
541570,Nc1ncc(-c2nc(C(=O)Nc3cc4c(nc3)nc(N3CCOCC3)o4)ccc2)cc1,418.16221,[M+H]+,20.0,test,Nc1ccc(-c2cccc(C(=O)Nc3cnc4nc(N5CCOCC5)oc4c3)n2)cn1
541571,Nc1ncc(-c2nc(C(=O)Nc3cc4c(nc3)nc(N3CCOCC3)o4)ccc2)cc1,418.16221,[M+H]+,60.0,test,Nc1ccc(-c2cccc(C(=O)Nc3cnc4nc(N5CCOCC5)oc4c3)n2)cn1
541572,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,364.10129,[M-H]-,20.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541573,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,364.10129,[M-H]-,20.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541574,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,364.10129,[M-H]-,60.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541575,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,364.10129,[M-H]-,20.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541576,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,364.10129,[M-H]-,45.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541577,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,400.07797,[M+Cl]-,20.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541578,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,400.07797,[M+Cl]-,20.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541579,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,366.11584,[M+H]+,15.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541580,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,366.11584,[M+H]+,15.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541581,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,366.11584,[M+H]+,20.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541582,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,366.11584,[M+H]+,60.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541583,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,366.11584,[M+H]+,15.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541584,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,366.11584,[M+H]+,20.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541585,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,366.11584,[M+H]+,60.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541586,COc1cc2c(cc1)cc(C(C)C(=O)Oc1ccc(C(N)=S)cc1)cc2,366.11584,[M+H]+,15.0,test,COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
541587,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,364.10129,[M-H]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541588,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,364.10129,[M-H]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541589,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,364.10129,[M-H]-,60.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541590,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,364.10129,[M-H]-,30.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541591,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,364.10129,[M-H]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541592,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,364.10129,[M-H]-,60.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541593,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,364.10129,[M-H]-,30.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541594,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,364.10129,[M-H]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541595,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,400.07797,[M+Cl]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541596,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,400.07797,[M+Cl]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541597,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,400.07797,[M+Cl]-,60.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541598,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,400.07797,[M+Cl]-,15.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541599,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,400.07797,[M+Cl]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541600,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,410.10677,[M+FA]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541601,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,410.10677,[M+FA]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541602,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,410.10677,[M+FA]-,60.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541603,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,410.10677,[M+FA]-,15.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541604,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,410.10677,[M+FA]-,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541605,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,348.10528,[M+H-H2O]+,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541606,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,348.10528,[M+H-H2O]+,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541607,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,348.10528,[M+H-H2O]+,60.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541608,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,348.10528,[M+H-H2O]+,30.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541609,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,348.10528,[M+H-H2O]+,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541610,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,366.11584,[M+H]+,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541611,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,366.11584,[M+H]+,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541612,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,366.11584,[M+H]+,60.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541613,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,366.11584,[M+H]+,15.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541614,Cc1c(C)cc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1,366.11584,[M+H]+,20.0,test,Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C
541615,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,348.12413,[M-H]-,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541616,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,348.12413,[M-H]-,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541617,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,348.12413,[M-H]-,60.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541618,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,348.12413,[M-H]-,30.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541619,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,348.12413,[M-H]-,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541620,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,394.12961,[M+FA]-,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541621,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,394.12961,[M+FA]-,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541622,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,394.12961,[M+FA]-,60.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541623,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,394.12961,[M+FA]-,15.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541624,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,394.12961,[M+FA]-,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541625,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1,348.12413,[M-H]-,20.0,test,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1
541626,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1,348.12413,[M-H]-,20.0,test,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1
541627,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1,348.12413,[M-H]-,60.0,test,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1
541628,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1,348.12413,[M-H]-,15.0,test,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1
541629,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1,348.12413,[M-H]-,20.0,test,O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1
541630,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1,350.13868,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1
541631,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1,350.13868,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1
541632,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1,350.13868,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1
541633,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1,350.13868,[M+H]+,15.0,test,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1
541634,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1,350.13868,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1
541635,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1,350.13868,[M+H]+,20.0,test,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1
541636,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1,350.13868,[M+H]+,60.0,test,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1
541637,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1,350.13868,[M+H]+,15.0,test,COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1
541638,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,332.12812,[M+H-H2O]+,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541639,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,332.12812,[M+H-H2O]+,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541640,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,332.12812,[M+H-H2O]+,60.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541641,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,332.12812,[M+H-H2O]+,30.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541642,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,332.12812,[M+H-H2O]+,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541643,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,332.12812,[M+H-H2O]+,30.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541644,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,332.12812,[M+H-H2O]+,60.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541645,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,332.12812,[M+H-H2O]+,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541646,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,350.13868,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541647,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,350.13868,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541648,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,350.13868,[M+H]+,60.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541649,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,350.13868,[M+H]+,30.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541650,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,350.13868,[M+H]+,20.0,test,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
541651,Cc1ncc(CO)c2c1Oc1c(C2)c(SC(C)C)nc(-c2ccc(F)cc2)n1,398.1333,[M+H]+,20.0,test,Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SC(C)C)c1C2
541652,Cc1ncc(CO)c2c1Oc1c(C2)c(SC(C)C)nc(-c2ccc(F)cc2)n1,398.1333,[M+H]+,20.0,test,Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SC(C)C)c1C2
541653,Cc1ncc(CO)c2c1Oc1c(C2)c(SC(C)C)nc(-c2ccc(F)cc2)n1,398.1333,[M+H]+,20.0,test,Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SC(C)C)c1C2
541654,Cc1ncc(CO)c2c1Oc1c(C2)c(SC(C)C)nc(-c2ccc(F)cc2)n1,398.1333,[M+H]+,45.0,test,Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SC(C)C)c1C2
541655,Cc1ncc(CO)c2c1Oc1c(C2)c(SC(C)C)nc(-c2ccc(F)cc2)n1,398.1333,[M+H]+,20.0,test,Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SC(C)C)c1C2
541656,COC(=O)[C@H](CCSC)NC(=O)c1c2ccc(F)cc2nc(-c2ccccn2)c1,414.12822,[M+H]+,20.0,test,COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
541657,COC(=O)[C@H](CCSC)NC(=O)c1c2ccc(F)cc2nc(-c2ccccn2)c1,414.12822,[M+H]+,20.0,test,COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
541658,COC(=O)[C@H](CCSC)NC(=O)c1c2ccc(F)cc2nc(-c2ccccn2)c1,414.12822,[M+H]+,60.0,test,COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
541659,COC(=O)[C@H](CCSC)NC(=O)c1c2ccc(F)cc2nc(-c2ccccn2)c1,414.12822,[M+H]+,20.0,test,COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
541660,COC(=O)[C@H](CCSC)NC(=O)c1c2ccc(F)cc2nc(-c2ccccn2)c1,414.12822,[M+H]+,45.0,test,COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
541661,COC(=O)[C@H](CCSC)NC(=O)c1c2ccc(F)cc2nc(-c2ccccn2)c1,414.12822,[M+H]+,60.0,test,COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
541662,COC(=O)[C@H](CCSC)NC(=O)c1c2ccc(F)cc2nc(-c2ccccn2)c1,414.12822,[M+H]+,20.0,test,COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
541663,COC(=O)[C@H](CCSC)NC(=O)c1c2ccc(F)cc2nc(-c2ccccn2)c1,414.12822,[M+H]+,45.0,test,COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
541664,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1,414.12822,[M+H]+,20.0,test,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1
541665,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1,414.12822,[M+H]+,20.0,test,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1
541666,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1,414.12822,[M+H]+,60.0,test,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1
541667,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1,414.12822,[M+H]+,15.0,test,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1
541668,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1,414.12822,[M+H]+,20.0,test,COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1
541669,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,395.1071,[M-H]-,20.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541670,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,395.1071,[M-H]-,20.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541671,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,395.1071,[M-H]-,60.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541672,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,395.1071,[M-H]-,30.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541673,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,395.1071,[M-H]-,20.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541674,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,395.1071,[M-H]-,20.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541675,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,395.1071,[M-H]-,20.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541676,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,395.1071,[M-H]-,60.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541677,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,395.1071,[M-H]-,30.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541678,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,395.1071,[M-H]-,20.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541679,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,397.12165,[M+H]+,20.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541680,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,397.12165,[M+H]+,20.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541681,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,397.12165,[M+H]+,30.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541682,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,397.12165,[M+H]+,60.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541683,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,397.12165,[M+H]+,20.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541684,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,397.12165,[M+H]+,45.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541685,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,397.12165,[M+H]+,60.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541686,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1,397.12165,[M+H]+,20.0,test,COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1
541687,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,397.12165,[M+H]+,20.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541688,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,397.12165,[M+H]+,20.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541689,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,397.12165,[M+H]+,60.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541690,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,397.12165,[M+H]+,20.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541691,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,397.12165,[M+H]+,45.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541692,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,397.12165,[M+H]+,60.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541693,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,397.12165,[M+H]+,20.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541694,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1,397.12165,[M+H]+,45.0,test,COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1
541695,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,395.1071,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541696,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,395.1071,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541697,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,395.1071,[M-H]-,45.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541698,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,395.1071,[M-H]-,60.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541699,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,395.1071,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541700,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,395.1071,[M-H]-,20.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541701,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,395.1071,[M-H]-,60.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541702,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,397.12165,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541703,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,397.12165,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541704,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,397.12165,[M+H]+,45.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541705,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,397.12165,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541706,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,397.12165,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541707,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,397.12165,[M+H]+,45.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541708,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,397.12165,[M+H]+,60.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541709,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O,397.12165,[M+H]+,20.0,test,COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
541710,Cc1cc(COc2cc(C)cc3c2c2c(CCC2)c(=O)o3)ccc1,321.14852,[M+H]+,30.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541711,Cc1cc(COc2cc(C)cc3c2c2c(CCC2)c(=O)o3)ccc1,321.14852,[M+H]+,30.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541712,Cc1cc(COc2cc(C)cc3c2c2c(CCC2)c(=O)o3)ccc1,321.14852,[M+H]+,20.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541713,Cc1cc(COc2cc(C)cc3c2c2c(CCC2)c(=O)o3)ccc1,321.14852,[M+H]+,60.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541714,Cc1cc(COc2cc(C)cc3c2c2c(CCC2)c(=O)o3)ccc1,321.14852,[M+H]+,30.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541715,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1,321.14852,[M+H]+,20.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541716,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1,321.14852,[M+H]+,20.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541717,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1,321.14852,[M+H]+,60.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541718,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1,321.14852,[M+H]+,30.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541719,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1,321.14852,[M+H]+,20.0,test,Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1
541720,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1,434.13444,[M+H]+,20.0,test,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1
541721,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1,434.13444,[M+H]+,20.0,test,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1
541722,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1,434.13444,[M+H]+,60.0,test,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1
541723,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1,434.13444,[M+H]+,30.0,test,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1
541724,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1,434.13444,[M+H]+,20.0,test,CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1
541725,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,433.1493,[M-H]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541726,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,433.1493,[M-H]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541727,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,433.1493,[M-H]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541728,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,469.12598,[M+Cl]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541729,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,469.12598,[M+Cl]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541730,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,469.12598,[M+Cl]-,60.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541731,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,469.12598,[M+Cl]-,30.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541732,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,469.12598,[M+Cl]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541733,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,479.15478,[M+FA]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541734,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,479.15478,[M+FA]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541735,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,479.15478,[M+FA]-,60.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541736,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,479.15478,[M+FA]-,15.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541737,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,479.15478,[M+FA]-,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541738,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,435.16385,[M+H]+,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541739,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,435.16385,[M+H]+,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541740,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,435.16385,[M+H]+,60.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541741,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,435.16385,[M+H]+,30.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541742,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,435.16385,[M+H]+,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541743,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,435.16385,[M+H]+,60.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541744,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,435.16385,[M+H]+,30.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541745,Cc1nc2c(cc(NCc3cc(C(F)(F)F)ccc3)cc2)n(CCNC(=O)CO)c1=O,435.16385,[M+H]+,20.0,test,Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O
541746,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,445.16053,[M-H]-,20.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541747,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,445.16053,[M-H]-,20.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541748,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,445.16053,[M-H]-,60.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541749,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,445.16053,[M-H]-,20.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541750,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,445.16053,[M-H]-,45.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541751,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,445.16053,[M-H]-,60.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541752,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,445.16053,[M-H]-,20.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541753,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,445.16053,[M-H]-,45.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541754,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,447.17508,[M+H]+,20.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541755,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,447.17508,[M+H]+,20.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541756,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,447.17508,[M+H]+,60.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541757,CCCn1c(=O)c2c(nc(-c3cn(Cc4cc(C(F)(F)F)ccc4)nc3)[nH]2)n(CC)c1=O,447.17508,[M+H]+,45.0,test,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
541758,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,481.13721,[M+Cl]-,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541759,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,481.13721,[M+Cl]-,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541760,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,481.13721,[M+Cl]-,60.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541761,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,481.13721,[M+Cl]-,15.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541762,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,481.13721,[M+Cl]-,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541763,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,491.16601,[M+FA]-,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541764,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,491.16601,[M+FA]-,60.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541765,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,491.16601,[M+FA]-,15.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541766,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,491.16601,[M+FA]-,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541767,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,491.16601,[M+FA]-,60.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541768,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,491.16601,[M+FA]-,15.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541769,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,491.16601,[M+FA]-,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541770,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,447.17508,[M+H]+,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541771,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,447.17508,[M+H]+,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541772,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,447.17508,[M+H]+,60.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541773,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,447.17508,[M+H]+,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541774,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,447.17508,[M+H]+,45.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541775,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,447.17508,[M+H]+,60.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541776,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,447.17508,[M+H]+,20.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541777,COc1cccc(-c2nn(C)c(C(=O)N3CCN(c4ncnc(C(F)(F)F)c4)CC3)c2)c1,447.17508,[M+H]+,45.0,test,COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1
541778,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,445.16053,[M-H]-,20.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541779,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,445.16053,[M-H]-,20.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541780,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,445.16053,[M-H]-,60.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541781,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,445.16053,[M-H]-,45.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541782,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,447.17508,[M+H]+,20.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541783,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,447.17508,[M+H]+,20.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541784,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,447.17508,[M+H]+,60.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541785,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,447.17508,[M+H]+,20.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541786,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,447.17508,[M+H]+,60.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541787,COc1cccc(Nc2nc(N3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1,447.17508,[M+H]+,20.0,test,COc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
541788,CN(C)C(CNC(=O)c1cc2ccccc2cc1)c1ccc(F)cc1,337.17107,[M+H]+,20.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541789,CN(C)C(CNC(=O)c1cc2ccccc2cc1)c1ccc(F)cc1,337.17107,[M+H]+,20.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541790,CN(C)C(CNC(=O)c1cc2ccccc2cc1)c1ccc(F)cc1,337.17107,[M+H]+,60.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541791,CN(C)C(CNC(=O)c1cc2ccccc2cc1)c1ccc(F)cc1,337.17107,[M+H]+,30.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541792,CN(C)C(CNC(=O)c1cc2ccccc2cc1)c1ccc(F)cc1,337.17107,[M+H]+,20.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541793,CN(C)C(CNC(=O)c1cc2ccccc2cc1)c1ccc(F)cc1,337.17107,[M+H]+,60.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541794,CN(C)C(CNC(=O)c1cc2ccccc2cc1)c1ccc(F)cc1,337.17107,[M+H]+,30.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541795,CN(C)C(CNC(=O)c1cc2ccccc2cc1)c1ccc(F)cc1,337.17107,[M+H]+,20.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541796,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1,337.17107,[M+H]+,20.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541797,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1,337.17107,[M+H]+,20.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541798,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1,337.17107,[M+H]+,15.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541799,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1,337.17107,[M+H]+,60.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541800,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1,337.17107,[M+H]+,30.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541801,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1,337.17107,[M+H]+,20.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541802,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1,337.17107,[M+H]+,60.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541803,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1,337.17107,[M+H]+,20.0,test,CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
541804,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541805,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541806,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,60.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541807,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541808,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,45.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541809,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,60.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541810,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541811,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,45.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541812,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541813,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541814,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,60.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541815,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541816,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,45.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541817,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,60.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541818,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541819,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,45.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541820,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541821,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541822,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,60.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541823,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541824,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,45.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541825,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541826,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541827,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,60.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541828,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541829,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,45.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541830,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541831,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541832,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,60.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541833,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541834,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,45.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541835,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541836,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541837,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,60.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541838,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,20.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541839,Cc1c2ncn(CC3CC3)c2cc(Nc2ncc(-c3cn(C)cn3)cc2)c1F,377.18845,[M+H]+,45.0,test,Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
541840,O=C(NCc1c(F)cccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1,407.16373,[M-H]-,20.0,test,O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
541841,O=C(NCc1c(F)cccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1,407.16373,[M-H]-,20.0,test,O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
541842,O=C(NCc1c(F)cccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1,407.16373,[M-H]-,60.0,test,O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
541843,O=C(NCc1c(F)cccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1,409.17828,[M+H]+,20.0,test,O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
541844,O=C(NCc1c(F)cccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1,409.17828,[M+H]+,20.0,test,O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
541845,O=C(NCc1c(F)cccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1,409.17828,[M+H]+,60.0,test,O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
541846,O=C(NCc1c(F)cccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1,409.17828,[M+H]+,30.0,test,O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
541847,O=C(NCc1c(F)cccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1,409.17828,[M+H]+,20.0,test,O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
541848,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,407.16373,[M-H]-,20.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541849,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,407.16373,[M-H]-,20.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541850,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,407.16373,[M-H]-,45.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541851,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,407.16373,[M-H]-,60.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541852,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,407.16373,[M-H]-,20.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541853,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,407.16373,[M-H]-,60.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541854,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,407.16373,[M-H]-,45.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541855,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,407.16373,[M-H]-,20.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541856,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,409.17828,[M+H]+,20.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541857,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,409.17828,[M+H]+,60.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541858,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,409.17828,[M+H]+,15.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541859,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,409.17828,[M+H]+,20.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541860,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,409.17828,[M+H]+,60.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541861,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,409.17828,[M+H]+,15.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541862,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1,409.17828,[M+H]+,20.0,test,CC(=O)c1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1
541863,COc1c(OC)cc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1,428.10971,[M+H]+,20.0,test,COc1ccc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1OC
541864,COc1c(OC)cc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1,428.10971,[M+H]+,20.0,test,COc1ccc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1OC
541865,COc1c(OC)cc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1,428.10971,[M+H]+,60.0,test,COc1ccc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1OC
541866,COc1c(OC)cc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1,428.10971,[M+H]+,15.0,test,COc1ccc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1OC
541867,COc1c(OC)cc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1,428.10971,[M+H]+,20.0,test,COc1ccc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1OC
541868,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1,304.16959,[M+H]+,20.0,test,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1
541869,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1,304.16959,[M+H]+,20.0,test,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1
541870,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1,304.16959,[M+H]+,60.0,test,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1
541871,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1,304.16959,[M+H]+,30.0,test,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1
541872,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1,304.16959,[M+H]+,20.0,test,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1
541873,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1,304.16959,[M+H]+,60.0,test,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1
541874,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1,304.16959,[M+H]+,30.0,test,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1
541875,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1,304.16959,[M+H]+,20.0,test,Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1
541876,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,302.15504,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541877,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,302.15504,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541878,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,302.15504,[M-H]-,60.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541879,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,302.15504,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541880,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,302.15504,[M-H]-,60.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541881,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,304.16959,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541882,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,304.16959,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541883,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,304.16959,[M+H]+,60.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541884,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,304.16959,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541885,CC1(C)CC(=O)C=C(Nc2cc3c(cc2)-c2ccccc2C3)C1,304.16959,[M+H]+,60.0,test,CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
541886,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541887,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541888,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,60.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541889,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,30.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541890,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541891,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541892,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541893,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,304.16959,[M+H]+,30.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541894,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,304.16959,[M+H]+,60.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541895,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,304.16959,[M+H]+,15.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541896,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541897,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,304.16959,[M+H]+,60.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541898,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,OC(c1ccccc1)C(NCc1ccccc1)c1ccccc1
541899,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541900,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541901,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,60.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541902,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,30.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541903,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541904,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541905,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541906,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,304.16959,[M+H]+,30.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541907,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,304.16959,[M+H]+,60.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541908,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541909,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,304.16959,[M+H]+,45.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541910,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541911,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1,304.16959,[M+H]+,60.0,test,OC(CC(Nc1ccccc1)c1ccccc1)c1ccccc1
541912,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541913,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541914,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,60.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541915,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,30.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541916,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541917,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541918,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541919,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,60.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541920,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,15.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541921,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541922,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,60.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541923,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,15.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541924,COc1ccccc1CNC(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,COc1ccccc1CNC(c1ccccc1)c1ccccc1
541925,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541926,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541927,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,60.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541928,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,30.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541929,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541930,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,60.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541931,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,30.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541932,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,286.15903,[M+H-H2O]+,20.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541933,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541934,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541935,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,304.16959,[M+H]+,60.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541936,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,304.16959,[M+H]+,15.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541937,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,304.16959,[M+H]+,20.0,test,N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
541938,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1,304.16959,[M+H]+,20.0,test,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1
541939,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1,304.16959,[M+H]+,20.0,test,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1
541940,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1,304.16959,[M+H]+,60.0,test,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1
541941,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1,304.16959,[M+H]+,15.0,test,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1
541942,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1,304.16959,[M+H]+,20.0,test,CC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1
541943,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1,304.16959,[M+H]+,45.0,test,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1
541944,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1,304.16959,[M+H]+,45.0,test,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1
541945,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1,304.16959,[M+H]+,45.0,test,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1
541946,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1,304.16959,[M+H]+,20.0,test,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1
541947,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1,304.16959,[M+H]+,60.0,test,Cc1cc(C)c(NC(=O)Cc2cccc3ccccc23)c(C)c1
541948,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21,304.16959,[M+H]+,20.0,test,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21
541949,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21,304.16959,[M+H]+,20.0,test,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21
541950,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21,304.16959,[M+H]+,45.0,test,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21
541951,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21,304.16959,[M+H]+,60.0,test,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21
541952,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21,304.16959,[M+H]+,20.0,test,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21
541953,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21,304.16959,[M+H]+,60.0,test,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21
541954,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21,304.16959,[M+H]+,45.0,test,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21
541955,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21,304.16959,[M+H]+,20.0,test,CC1(C)CCC(=O)c2c1n(Cc1ccccc1)c1ccccc21
541956,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O,320.1645,[M+H]+,20.0,test,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O
541957,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O,320.1645,[M+H]+,20.0,test,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O
541958,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O,320.1645,[M+H]+,60.0,test,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O
541959,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O,320.1645,[M+H]+,30.0,test,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O
541960,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O,320.1645,[M+H]+,20.0,test,O=C(c1ccc(-c2ccccc2)cc1)N1CC2CC3CC2C1C3O
541961,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,302.15394,[M+H-H2O]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541962,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,302.15394,[M+H-H2O]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541963,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,302.15394,[M+H-H2O]+,60.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541964,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,302.15394,[M+H-H2O]+,30.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541965,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,302.15394,[M+H-H2O]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541966,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541967,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541968,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,60.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541969,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,30.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541970,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541971,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,60.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541972,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,30.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541973,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
541974,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,318.14995,[M-H]-,20.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
541975,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,318.14995,[M-H]-,20.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
541976,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,318.14995,[M-H]-,75.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
541977,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,318.14995,[M-H]-,60.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
541978,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,364.15543,[M+FA]-,20.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
541979,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,364.15543,[M+FA]-,60.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
541980,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,364.15543,[M+FA]-,15.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
541981,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,364.15543,[M+FA]-,20.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
541982,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,320.1645,[M+H]+,20.0,test,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
541983,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,320.1645,[M+H]+,20.0,test,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
541984,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,320.1645,[M+H]+,60.0,test,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
541985,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,320.1645,[M+H]+,30.0,test,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
541986,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,320.1645,[M+H]+,20.0,test,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
541987,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,320.1645,[M+H]+,60.0,test,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
541988,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,320.1645,[M+H]+,30.0,test,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
541989,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,320.1645,[M+H]+,20.0,test,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
541990,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1,320.1645,[M+H]+,20.0,test,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1
541991,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1,320.1645,[M+H]+,20.0,test,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1
541992,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1,320.1645,[M+H]+,60.0,test,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1
541993,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1,320.1645,[M+H]+,30.0,test,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1
541994,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1,320.1645,[M+H]+,20.0,test,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1
541995,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1,320.1645,[M+H]+,30.0,test,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1
541996,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1,320.1645,[M+H]+,60.0,test,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1
541997,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1,320.1645,[M+H]+,20.0,test,COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1
541998,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1,320.1645,[M+H]+,20.0,test,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1
541999,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1,320.1645,[M+H]+,20.0,test,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1
542000,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1,320.1645,[M+H]+,60.0,test,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1
542001,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1,320.1645,[M+H]+,30.0,test,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1
542002,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1,320.1645,[M+H]+,20.0,test,Cc1ccc(OC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1
542003,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,320.1645,[M+H]+,20.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
542004,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,320.1645,[M+H]+,20.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
542005,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,320.1645,[M+H]+,60.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
542006,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,320.1645,[M+H]+,30.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
542007,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,320.1645,[M+H]+,20.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
542008,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,320.1645,[M+H]+,20.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
542009,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,320.1645,[M+H]+,30.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
542010,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1,320.1645,[M+H]+,60.0,test,CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
542011,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1,320.1645,[M+H]+,20.0,test,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1
542012,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1,320.1645,[M+H]+,20.0,test,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1
542013,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1,320.1645,[M+H]+,60.0,test,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1
542014,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1,320.1645,[M+H]+,15.0,test,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1
542015,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1,320.1645,[M+H]+,20.0,test,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1
542016,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1,320.1645,[M+H]+,60.0,test,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1
542017,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1,320.1645,[M+H]+,15.0,test,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1
542018,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1,320.1645,[M+H]+,20.0,test,COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1
542019,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
542020,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
542021,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,60.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
542022,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,30.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
542023,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
542024,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,20.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
542025,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,30.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
542026,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21,320.1645,[M+H]+,60.0,test,OC1(CC#CCN2CCOCC2)c2ccccc2-c2ccccc21
542027,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,320.1645,[M+H]+,20.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
542028,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,320.1645,[M+H]+,20.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
542029,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,320.1645,[M+H]+,75.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
542030,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,320.1645,[M+H]+,60.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
542031,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,320.1645,[M+H]+,20.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
542032,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,320.1645,[M+H]+,60.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
542033,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,320.1645,[M+H]+,75.0,test,Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1
542034,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1,320.1645,[M+H]+,20.0,test,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1
542035,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1,320.1645,[M+H]+,20.0,test,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1
542036,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1,320.1645,[M+H]+,60.0,test,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1
542037,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1,320.1645,[M+H]+,30.0,test,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1
542038,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1,320.1645,[M+H]+,20.0,test,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1
542039,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1,320.1645,[M+H]+,60.0,test,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1
542040,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1,320.1645,[M+H]+,30.0,test,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1
542041,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1,320.1645,[M+H]+,20.0,test,O=C(NCC1(c2ccccc2)CCCC1)c1cc2ccccc2o1
542042,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC,320.1645,[M+H]+,20.0,test,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC
542043,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC,320.1645,[M+H]+,20.0,test,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC
542044,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC,320.1645,[M+H]+,30.0,test,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC
542045,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC,320.1645,[M+H]+,60.0,test,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC
542046,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC,320.1645,[M+H]+,15.0,test,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC
542047,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC,320.1645,[M+H]+,20.0,test,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC
542048,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC,320.1645,[M+H]+,60.0,test,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC
542049,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC,320.1645,[M+H]+,20.0,test,COc1cccc(CNc2ccc3c4c(cccc24)CC3)c1OC
542050,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,320.1645,[M+H]+,20.0,test,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
542051,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,320.1645,[M+H]+,20.0,test,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
542052,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,320.1645,[M+H]+,60.0,test,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
542053,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,320.1645,[M+H]+,15.0,test,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
542054,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,320.1645,[M+H]+,20.0,test,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
542055,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,320.1645,[M+H]+,15.0,test,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
542056,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,320.1645,[M+H]+,60.0,test,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
542057,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,320.1645,[M+H]+,20.0,test,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
542058,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3,320.1645,[M+H]+,20.0,test,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3
542059,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3,320.1645,[M+H]+,20.0,test,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3
542060,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3,320.1645,[M+H]+,60.0,test,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3
542061,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3,320.1645,[M+H]+,20.0,test,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3
542062,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3,320.1645,[M+H]+,60.0,test,Cc1nc2c(o1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3
542063,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,446.06086,[M-H]-,20.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542064,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,446.06086,[M-H]-,20.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542065,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,446.06086,[M-H]-,60.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542066,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,446.06086,[M-H]-,30.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542067,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,446.06086,[M-H]-,20.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542068,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,446.06086,[M-H]-,30.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542069,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,446.06086,[M-H]-,60.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542070,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,446.06086,[M-H]-,20.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542071,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,448.07541,[M+H]+,20.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542072,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,448.07541,[M+H]+,20.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542073,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,448.07541,[M+H]+,60.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542074,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,448.07541,[M+H]+,15.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542075,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,448.07541,[M+H]+,20.0,test,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2
542076,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1,416.1194,[M+H]+,20.0,test,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1
542077,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1,416.1194,[M+H]+,20.0,test,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1
542078,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1,416.1194,[M+H]+,45.0,test,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1
542079,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1,416.1194,[M+H]+,60.0,test,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1
542080,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1,416.1194,[M+H]+,20.0,test,COCCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1
542081,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,430.12423,[M-H]-,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542082,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,430.12423,[M-H]-,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542083,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,430.12423,[M-H]-,60.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542084,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,430.12423,[M-H]-,30.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542085,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,430.12423,[M-H]-,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542086,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,430.12423,[M-H]-,30.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542087,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,430.12423,[M-H]-,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542088,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,430.12423,[M-H]-,60.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542089,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,476.12971,[M+FA]-,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542090,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,476.12971,[M+FA]-,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542091,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,476.12971,[M+FA]-,60.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542092,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,476.12971,[M+FA]-,15.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542093,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,476.12971,[M+FA]-,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542094,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,476.12971,[M+FA]-,60.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542095,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,476.12971,[M+FA]-,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542096,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,476.12971,[M+FA]-,15.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542097,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,432.13878,[M+H]+,20.0,test,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1
542098,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,432.13878,[M+H]+,20.0,test,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1
542099,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,432.13878,[M+H]+,45.0,test,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1
542100,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,432.13878,[M+H]+,60.0,test,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1
542101,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,432.13878,[M+H]+,20.0,test,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1
542102,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,432.13878,[M+H]+,60.0,test,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1
542103,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,432.13878,[M+H]+,45.0,test,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1
542104,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,432.13878,[M+H]+,20.0,test,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1
542105,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,432.13878,[M+H]+,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542106,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,432.13878,[M+H]+,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542107,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,432.13878,[M+H]+,60.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542108,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,432.13878,[M+H]+,15.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542109,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,432.13878,[M+H]+,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542110,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,432.13878,[M+H]+,60.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542111,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,432.13878,[M+H]+,20.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542112,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,432.13878,[M+H]+,15.0,test,O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1
542113,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542114,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542115,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,60.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542116,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542117,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,45.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542118,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,60.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542119,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542120,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,45.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542121,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542122,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542123,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,60.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542124,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542125,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,45.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542126,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,60.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542127,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)cccc4F)CC3C2)n1,408.19426,[M+H]+,20.0,test,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
542128,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,365.15068,[M-H]-,20.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542129,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,365.15068,[M-H]-,20.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542130,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,365.15068,[M-H]-,60.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542131,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,365.15068,[M-H]-,20.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542132,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,365.15068,[M-H]-,45.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542133,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,367.16523,[M+H]+,20.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542134,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,367.16523,[M+H]+,20.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542135,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,367.16523,[M+H]+,60.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542136,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,367.16523,[M+H]+,15.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542137,Cc1c(C(=O)N2CCOCC2)cccc1NC(=O)c1cc2c(cc1)OCC2,367.16523,[M+H]+,20.0,test,Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N1CCOCC1
542138,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,365.15068,[M-H]-,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542139,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,365.15068,[M-H]-,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542140,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,365.15068,[M-H]-,60.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542141,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,365.15068,[M-H]-,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542142,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,365.15068,[M-H]-,45.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542143,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,367.16523,[M+H]+,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542144,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,367.16523,[M+H]+,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542145,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,367.16523,[M+H]+,60.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542146,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,367.16523,[M+H]+,30.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542147,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,367.16523,[M+H]+,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542148,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,384.19178,[M+NH4]+,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542149,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,384.19178,[M+NH4]+,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542150,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,384.19178,[M+NH4]+,60.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542151,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,384.19178,[M+NH4]+,20.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542152,CCOc1cc2c(cc1)oc(C)c2C(=O)Nc1ccc(N(C)C(C)=O)cc1,384.19178,[M+NH4]+,45.0,test,CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1
542153,CCOc1ccccc1CNc1cc(OC)c(NC(=O)c2ccco2)cc1,367.16523,[M+H]+,20.0,test,CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1
542154,CCOc1ccccc1CNc1cc(OC)c(NC(=O)c2ccco2)cc1,367.16523,[M+H]+,20.0,test,CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1
542155,CCOc1ccccc1CNc1cc(OC)c(NC(=O)c2ccco2)cc1,367.16523,[M+H]+,60.0,test,CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1
542156,CCOc1ccccc1CNc1cc(OC)c(NC(=O)c2ccco2)cc1,367.16523,[M+H]+,15.0,test,CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1
542157,CCOc1ccccc1CNc1cc(OC)c(NC(=O)c2ccco2)cc1,367.16523,[M+H]+,20.0,test,CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1
542158,CCOc1ccccc1CNc1cc(OC)c(NC(=O)c2ccco2)cc1,367.16523,[M+H]+,60.0,test,CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1
542159,CCOc1ccccc1CNc1cc(OC)c(NC(=O)c2ccco2)cc1,367.16523,[M+H]+,15.0,test,CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1
542160,CCOc1ccccc1CNc1cc(OC)c(NC(=O)c2ccco2)cc1,367.16523,[M+H]+,20.0,test,CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1
542161,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,365.15068,[M-H]-,20.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542162,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,365.15068,[M-H]-,20.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542163,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,365.15068,[M-H]-,60.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542164,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,365.15068,[M-H]-,30.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542165,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,365.15068,[M-H]-,20.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542166,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,365.15068,[M-H]-,20.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542167,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,365.15068,[M-H]-,20.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542168,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,365.15068,[M-H]-,60.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542169,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,365.15068,[M-H]-,30.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542170,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,365.15068,[M-H]-,20.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542171,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,365.15068,[M-H]-,60.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542172,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,365.15068,[M-H]-,30.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542173,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,365.15068,[M-H]-,20.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542174,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,365.15068,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542175,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,365.15068,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542176,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,365.15068,[M-H]-,60.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542177,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,365.15068,[M-H]-,30.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542178,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,365.15068,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542179,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,367.16523,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542180,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,367.16523,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542181,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,367.16523,[M+H]+,60.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542182,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,367.16523,[M+H]+,15.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542183,Cc1cc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)cc1,367.16523,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1
542184,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,367.16523,[M+H]+,20.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542185,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,367.16523,[M+H]+,20.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542186,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,367.16523,[M+H]+,60.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542187,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,367.16523,[M+H]+,30.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542188,COc1c2c(ccc1)ccn2CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,367.16523,[M+H]+,20.0,test,COc1cccc2ccn(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c12
542189,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,366.15796,[M]+,30.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542190,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,366.15796,[M]+,30.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542191,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,366.15796,[M]+,20.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542192,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,366.15796,[M]+,30.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542193,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,366.15796,[M]+,30.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542194,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,367.16523,[M+H]+,20.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542195,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,367.16523,[M+H]+,20.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542196,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,367.16523,[M+H]+,60.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542197,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,367.16523,[M+H]+,30.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542198,C[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,367.16523,[M+H]+,20.0,test,C[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
542199,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,365.15068,[M-H]-,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542200,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,365.15068,[M-H]-,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542201,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,365.15068,[M-H]-,45.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542202,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,365.15068,[M-H]-,60.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542203,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,365.15068,[M-H]-,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542204,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,411.15616,[M+FA]-,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542205,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,411.15616,[M+FA]-,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542206,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,411.15616,[M+FA]-,60.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542207,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,411.15616,[M+FA]-,15.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542208,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,411.15616,[M+FA]-,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542209,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,367.16523,[M+H]+,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542210,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,367.16523,[M+H]+,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542211,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,367.16523,[M+H]+,60.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542212,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,367.16523,[M+H]+,30.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542213,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,367.16523,[M+H]+,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542214,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,367.16523,[M+H]+,30.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542215,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,367.16523,[M+H]+,20.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542216,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2,367.16523,[M+H]+,60.0,test,COc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCCO2
542217,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,409.15174,[M-H]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542218,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,409.15174,[M-H]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542219,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,409.15174,[M-H]-,60.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542220,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,409.15174,[M-H]-,15.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542221,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,409.15174,[M-H]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542222,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,445.12842,[M+Cl]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542223,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,445.12842,[M+Cl]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542224,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,445.12842,[M+Cl]-,60.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542225,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,445.12842,[M+Cl]-,15.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542226,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,445.12842,[M+Cl]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542227,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,455.15722,[M+FA]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542228,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,455.15722,[M+FA]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542229,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,455.15722,[M+FA]-,60.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542230,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,455.15722,[M+FA]-,15.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542231,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,455.15722,[M+FA]-,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542232,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,411.1663,[M+H]+,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542233,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,411.1663,[M+H]+,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542234,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,411.1663,[M+H]+,60.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542235,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,411.1663,[M+H]+,15.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542236,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,411.1663,[M+H]+,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542237,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,411.1663,[M+H]+,60.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542238,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,411.1663,[M+H]+,15.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542239,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cc2c(cc1)OCO2,411.1663,[M+H]+,20.0,test,O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2
542240,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,409.15174,[M-H]-,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542241,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,409.15174,[M-H]-,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542242,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,409.15174,[M-H]-,60.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542243,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,409.15174,[M-H]-,30.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542244,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,409.15174,[M-H]-,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542245,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,455.15722,[M+FA]-,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542246,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,455.15722,[M+FA]-,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542247,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,455.15722,[M+FA]-,60.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542248,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,455.15722,[M+FA]-,15.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542249,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,455.15722,[M+FA]-,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542250,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,455.15722,[M+FA]-,60.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542251,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,455.15722,[M+FA]-,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542252,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,455.15722,[M+FA]-,15.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542253,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,411.1663,[M+H]+,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542254,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,411.1663,[M+H]+,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542255,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,411.1663,[M+H]+,60.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542256,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,411.1663,[M+H]+,30.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542257,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21,411.1663,[M+H]+,20.0,test,CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21
542258,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542259,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542260,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,404.17038,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542261,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,404.17038,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542262,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542263,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542264,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542265,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,409.12577,[M+Na]+,60.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542266,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,409.12577,[M+Na]+,30.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542267,C/C=C(/C)C(=O)O[C@@H]1c2c3oc(=O)ccc3ccc2OC(C)(C)[C@@H]1OC(C)=O,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
542268,COc1ccc(-c2c(O)c(=O)c3c(O)cc(O)c(CCC(C)(C)O)c3o2)cc1,369.13327,[M+H-H2O]+,20.0,test,COc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2O)cc1
542269,COc1ccc(-c2c(O)c(=O)c3c(O)cc(O)c(CCC(C)(C)O)c3o2)cc1,369.13327,[M+H-H2O]+,20.0,test,COc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2O)cc1
542270,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(O)cc(O)cc3C)C2CO1,385.12928,[M-H]-,20.0,test,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(C)cc(O)cc3O)C2CO1
542271,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(O)cc(O)cc3C)C2CO1,385.12928,[M-H]-,20.0,test,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(C)cc(O)cc3O)C2CO1
542272,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(O)cc(O)cc3C)C2CO1,385.12928,[M-H]-,60.0,test,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(C)cc(O)cc3O)C2CO1
542273,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(O)cc(O)cc3C)C2CO1,385.12928,[M-H]-,15.0,test,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(C)cc(O)cc3O)C2CO1
542274,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(O)cc(O)cc3C)C2CO1,385.12928,[M-H]-,20.0,test,C/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(C)cc(O)cc3O)C2CO1
542275,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,431.13476,[M+FA]-,20.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542276,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,431.13476,[M+FA]-,60.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542277,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,431.13476,[M+FA]-,15.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542278,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,431.13476,[M+FA]-,60.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542279,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,431.13476,[M+FA]-,15.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542280,CCCCC[C@H](OC)c1c(O)cc2C(=O)c3c(C(=O)c2c1O)c(O)cc(O)c3,385.12928,[M-H]-,20.0,test,CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
542281,CCCCC[C@H](OC)c1c(O)cc2C(=O)c3c(C(=O)c2c1O)c(O)cc(O)c3,385.12928,[M-H]-,20.0,test,CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
542282,CCCCC[C@H](OC)c1c(O)cc2C(=O)c3c(C(=O)c2c1O)c(O)cc(O)c3,385.12928,[M-H]-,60.0,test,CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
542283,CCCCC[C@H](OC)c1c(O)cc2C(=O)c3c(C(=O)c2c1O)c(O)cc(O)c3,385.12928,[M-H]-,20.0,test,CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
542284,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O,385.12928,[M-H]-,20.0,test,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O
542285,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O,385.12928,[M-H]-,20.0,test,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O
542286,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O,385.12928,[M-H]-,60.0,test,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O
542287,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O,385.12928,[M-H]-,30.0,test,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O
542288,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O,385.12928,[M-H]-,20.0,test,COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1O
542289,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c3oc(=O)ccc3ccc2OC1(C)C,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542290,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c3oc(=O)ccc3ccc2OC1(C)C,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542291,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c3oc(=O)ccc3ccc2OC1(C)C,404.17038,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542292,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c3oc(=O)ccc3ccc2OC1(C)C,404.17038,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542293,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c3oc(=O)ccc3ccc2OC1(C)C,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1C(OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542294,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542295,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542296,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,387.14383,[M+H]+,60.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542297,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,387.14383,[M+H]+,15.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542298,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542299,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,387.14383,[M+H]+,60.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542300,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,387.14383,[M+H]+,15.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542301,C/C=C(/C)C(=O)OC(COc1c2ccc(=O)oc2cc2c1cco2)C(C)(C)O,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
542302,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,369.13327,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542303,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,369.13327,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542304,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,369.13327,[M+H-H2O]+,60.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542305,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,369.13327,[M+H-H2O]+,15.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542306,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,369.13327,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542307,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,369.13327,[M+H-H2O]+,60.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542308,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,369.13327,[M+H-H2O]+,15.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542309,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,369.13327,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542310,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542311,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542312,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,387.14383,[M+H]+,60.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542313,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,387.14383,[M+H]+,15.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542314,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542315,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542316,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542317,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,404.17038,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542318,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,404.17038,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542319,C/C=C(/C)C(=O)OC(COc1c2oc(=O)ccc2cc2c1occ2)C(C)(C)O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC(COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O
542320,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(C)=O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(C)=O
542321,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(C)=O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(C)=O
542322,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(C)=O,404.17038,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(C)=O
542323,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(C)=O,404.17038,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(C)=O
542324,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(C)=O,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(C)=O
542325,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,369.13327,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542326,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,369.13327,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542327,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,369.13327,[M+H-H2O]+,60.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542328,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,369.13327,[M+H-H2O]+,15.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542329,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,369.13327,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542330,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,369.13327,[M+H-H2O]+,60.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542331,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,369.13327,[M+H-H2O]+,15.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542332,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,369.13327,[M+H-H2O]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542333,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542334,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542335,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,387.14383,[M+H]+,60.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542336,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,387.14383,[M+H]+,15.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542337,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,387.14383,[M+H]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542338,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542339,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542340,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,404.17038,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542341,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,404.17038,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542342,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542343,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542344,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542345,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,409.12577,[M+Na]+,60.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542346,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,409.12577,[M+Na]+,30.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542347,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2oc(=O)ccc2cc2c1occ2,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
542348,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542349,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542350,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,404.17038,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542351,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,404.17038,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542352,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,404.17038,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542353,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542354,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542355,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,409.12577,[M+Na]+,60.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542356,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,409.12577,[M+Na]+,30.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542357,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,409.12577,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
542358,COc1c(OC)cc(-c2cc(=O)c3c(o2)c(OC)c(OC)c(OC)c3OC)cc1,403.13874,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
542359,COc1c(OC)cc(-c2cc(=O)c3c(o2)c(OC)c(OC)c(OC)c3OC)cc1,403.13874,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
542360,COc1c(OC)cc(-c2cc(=O)c3c(o2)c(OC)c(OC)c(OC)c3OC)cc1,403.13874,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
542361,COc1c(OC)cc(-c2cc(=O)c3c(o2)c(OC)c(OC)c(OC)c3OC)cc1,403.13874,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
542362,COc1c(OC)cc(-c2cc(=O)c3c(o2)c(OC)c(OC)c(OC)c3OC)cc1,403.13874,[M+H]+,45.0,test,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
542363,Cc1cc2c(cc1)N(C(=O)Cc1ccc(Cl)cc1)C1CCN(C)CC21,355.15717,[M+H]+,20.0,test,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1ccc(Cl)cc1
542364,Cc1cc2c(cc1)N(C(=O)Cc1ccc(Cl)cc1)C1CCN(C)CC21,355.15717,[M+H]+,20.0,test,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1ccc(Cl)cc1
542365,Cc1cc2c(cc1)N(C(=O)Cc1ccc(Cl)cc1)C1CCN(C)CC21,355.15717,[M+H]+,60.0,test,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1ccc(Cl)cc1
542366,Cc1cc2c(cc1)N(C(=O)Cc1ccc(Cl)cc1)C1CCN(C)CC21,355.15717,[M+H]+,20.0,test,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1ccc(Cl)cc1
542367,Cc1cc2c(cc1)N(C(=O)Cc1ccc(Cl)cc1)C1CCN(C)CC21,355.15717,[M+H]+,45.0,test,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1ccc(Cl)cc1
542368,Cc1cc2c(cc1)N(C(=O)Cc1ccc(Cl)cc1)C1CCN(C)CC21,355.15717,[M+H]+,60.0,test,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1ccc(Cl)cc1
542369,Cc1cc2c(cc1)N(C(=O)Cc1ccc(Cl)cc1)C1CCN(C)CC21,355.15717,[M+H]+,20.0,test,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1ccc(Cl)cc1
542370,Cc1cc2c(cc1)N(C(=O)Cc1ccc(Cl)cc1)C1CCN(C)CC21,355.15717,[M+H]+,45.0,test,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1ccc(Cl)cc1
542371,CN1CCN(C2=C(c3ccccc3)CCOc3c2ccc(Cl)c3)CC1,355.15717,[M+H]+,20.0,test,CN1CCN(C2=C(c3ccccc3)CCOc3cc(Cl)ccc32)CC1
542372,CN1CCN(C2=C(c3ccccc3)CCOc3c2ccc(Cl)c3)CC1,355.15717,[M+H]+,20.0,test,CN1CCN(C2=C(c3ccccc3)CCOc3cc(Cl)ccc32)CC1
542373,CN1CCN(C2=C(c3ccccc3)CCOc3c2ccc(Cl)c3)CC1,355.15717,[M+H]+,60.0,test,CN1CCN(C2=C(c3ccccc3)CCOc3cc(Cl)ccc32)CC1
542374,CN1CCN(C2=C(c3ccccc3)CCOc3c2ccc(Cl)c3)CC1,355.15717,[M+H]+,15.0,test,CN1CCN(C2=C(c3ccccc3)CCOc3cc(Cl)ccc32)CC1
542375,CN1CCN(C2=C(c3ccccc3)CCOc3c2ccc(Cl)c3)CC1,355.15717,[M+H]+,20.0,test,CN1CCN(C2=C(c3ccccc3)CCOc3cc(Cl)ccc32)CC1
542376,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,353.14262,[M-H]-,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542377,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,353.14262,[M-H]-,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542378,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,353.14262,[M-H]-,60.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542379,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,353.14262,[M-H]-,30.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542380,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,353.14262,[M-H]-,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542381,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,399.14809,[M+FA]-,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542382,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,399.14809,[M+FA]-,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542383,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,399.14809,[M+FA]-,60.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542384,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,399.14809,[M+FA]-,15.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542385,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,399.14809,[M+FA]-,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542386,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,355.15717,[M+H]+,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542387,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,355.15717,[M+H]+,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542388,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,355.15717,[M+H]+,15.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542389,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,355.15717,[M+H]+,60.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542390,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,355.15717,[M+H]+,30.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542391,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,355.15717,[M+H]+,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542392,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,355.15717,[M+H]+,60.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542393,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12,355.15717,[M+H]+,20.0,test,CC(C)CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
542394,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,337.17217,[M-H]-,20.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542395,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,337.17217,[M-H]-,20.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542396,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,337.17217,[M-H]-,45.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542397,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,337.17217,[M-H]-,60.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542398,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,337.17217,[M-H]-,20.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542399,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,339.18672,[M+H]+,20.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542400,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,339.18672,[M+H]+,20.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542401,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,339.18672,[M+H]+,60.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542402,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,339.18672,[M+H]+,30.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542403,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1,339.18672,[M+H]+,20.0,test,CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc(F)c2)cc1
542404,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,369.16199,[M-H]-,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542405,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,369.16199,[M-H]-,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542406,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,369.16199,[M-H]-,60.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542407,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,369.16199,[M-H]-,45.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542408,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,415.16747,[M+FA]-,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542409,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,415.16747,[M+FA]-,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542410,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,415.16747,[M+FA]-,60.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542411,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,415.16747,[M+FA]-,15.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542412,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,415.16747,[M+FA]-,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542413,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,371.17655,[M+H]+,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542414,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,371.17655,[M+H]+,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542415,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,371.17655,[M+H]+,60.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542416,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,371.17655,[M+H]+,30.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542417,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,371.17655,[M+H]+,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542418,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,371.17655,[M+H]+,60.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542419,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,371.17655,[M+H]+,30.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542420,CC(c1ccccc1F)N1CCC(C(=O)Nc2cc3c(cc2)OCO3)CC1,371.17655,[M+H]+,20.0,test,CC(c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
542421,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,401.13407,[M-H]-,20.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542422,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,401.13407,[M-H]-,20.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542423,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,401.13407,[M-H]-,60.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542424,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,401.13407,[M-H]-,20.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542425,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,401.13407,[M-H]-,60.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542426,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,401.13407,[M-H]-,20.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542427,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,403.14862,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542428,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,403.14862,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542429,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,403.14862,[M+H]+,60.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542430,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,403.14862,[M+H]+,30.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542431,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,403.14862,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542432,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,403.14862,[M+H]+,60.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542433,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,403.14862,[M+H]+,30.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542434,Cc1c(C(=O)N2CC(C3CCOCC3)C2)sc(NC(=O)c2cc(F)ccc2)c1,403.14862,[M+H]+,20.0,test,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC(C2CCOCC2)C1
542435,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,376.1779,[M-H]-,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542436,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,376.1779,[M-H]-,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542437,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,376.1779,[M-H]-,60.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542438,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,376.1779,[M-H]-,30.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542439,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,376.1779,[M-H]-,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542440,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,422.18338,[M+FA]-,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542441,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,422.18338,[M+FA]-,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542442,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,422.18338,[M+FA]-,60.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542443,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,422.18338,[M+FA]-,15.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542444,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,422.18338,[M+FA]-,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542445,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,376.1779,[M-H]-,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542446,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,376.1779,[M-H]-,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542447,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,376.1779,[M-H]-,60.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542448,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,376.1779,[M-H]-,30.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542449,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,376.1779,[M-H]-,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542450,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,422.18338,[M+FA]-,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542451,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,422.18338,[M+FA]-,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542452,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,422.18338,[M+FA]-,60.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542453,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,422.18338,[M+FA]-,15.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542454,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,422.18338,[M+FA]-,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542455,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,422.18338,[M+FA]-,60.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542456,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,422.18338,[M+FA]-,15.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542457,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,422.18338,[M+FA]-,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542458,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,376.1779,[M-H]-,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542459,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,376.1779,[M-H]-,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542460,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,376.1779,[M-H]-,60.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542461,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,376.1779,[M-H]-,15.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542462,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,376.1779,[M-H]-,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542463,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,422.18338,[M+FA]-,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542464,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,422.18338,[M+FA]-,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542465,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,422.18338,[M+FA]-,60.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542466,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,422.18338,[M+FA]-,15.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542467,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,422.18338,[M+FA]-,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542468,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,378.19245,[M+H]+,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542469,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,378.19245,[M+H]+,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542470,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,378.19245,[M+H]+,60.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542471,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,378.19245,[M+H]+,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542472,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,378.19245,[M+H]+,45.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542473,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,378.19245,[M+H]+,60.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542474,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,378.19245,[M+H]+,20.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542475,Cc1c(C(=O)NC(C)c2cc3c(cc2)NC(=O)CC3)cc2c(C)nn(C)c2n1,378.19245,[M+H]+,45.0,test,Cc1nc2c(cc1C(=O)NC(C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
542476,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,378.19245,[M+H]+,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542477,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,378.19245,[M+H]+,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542478,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,378.19245,[M+H]+,60.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542479,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,378.19245,[M+H]+,30.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542480,Cc1c(CCNC(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccnc1,378.19245,[M+H]+,20.0,test,Cc1cnccc1CCNC(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1
542481,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,378.19245,[M+H]+,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542482,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,378.19245,[M+H]+,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542483,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,378.19245,[M+H]+,60.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542484,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,378.19245,[M+H]+,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542485,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,378.19245,[M+H]+,45.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542486,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,378.19245,[M+H]+,60.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542487,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,378.19245,[M+H]+,20.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542488,CC1CN(C(=O)NCc2cnc(-n3ccnc3)cc2)CC(c2ccccc2)O1,378.19245,[M+H]+,45.0,test,CC1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC(c2ccccc2)O1
542489,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,378.19245,[M+H]+,45.0,test,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
542490,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,378.19245,[M+H]+,45.0,test,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
542491,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,378.19245,[M+H]+,20.0,test,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
542492,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,378.19245,[M+H]+,60.0,test,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
542493,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,378.19245,[M+H]+,45.0,test,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
542494,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,378.19245,[M+H]+,20.0,test,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
542495,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,378.19245,[M+H]+,60.0,test,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
542496,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,378.19245,[M+H]+,45.0,test,CC(C)n1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
542497,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1,378.19245,[M+H]+,20.0,test,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1
542498,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1,378.19245,[M+H]+,20.0,test,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1
542499,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1,378.19245,[M+H]+,60.0,test,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1
542500,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1,378.19245,[M+H]+,30.0,test,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1
542501,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1,378.19245,[M+H]+,20.0,test,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1
542502,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1,378.19245,[M+H]+,60.0,test,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1
542503,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1,378.19245,[M+H]+,30.0,test,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1
542504,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1,378.19245,[M+H]+,20.0,test,COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1
542505,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,376.1779,[M-H]-,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542506,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,376.1779,[M-H]-,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542507,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,376.1779,[M-H]-,60.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542508,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,376.1779,[M-H]-,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542509,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,376.1779,[M-H]-,60.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542510,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,376.1779,[M-H]-,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542511,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,422.18338,[M+FA]-,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542512,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,422.18338,[M+FA]-,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542513,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,422.18338,[M+FA]-,60.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542514,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,422.18338,[M+FA]-,15.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542515,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,422.18338,[M+FA]-,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542516,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,378.19245,[M+H]+,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542517,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,378.19245,[M+H]+,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542518,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,378.19245,[M+H]+,60.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542519,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,378.19245,[M+H]+,30.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542520,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,378.19245,[M+H]+,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542521,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,378.19245,[M+H]+,60.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542522,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,378.19245,[M+H]+,30.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542523,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,378.19245,[M+H]+,20.0,test,O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1
542524,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,408.16773,[M-H]-,20.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542525,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,408.16773,[M-H]-,20.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542526,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,408.16773,[M-H]-,60.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542527,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,408.16773,[M-H]-,30.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542528,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,408.16773,[M-H]-,20.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542529,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,410.18228,[M+H]+,20.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542530,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,410.18228,[M+H]+,20.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542531,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,410.18228,[M+H]+,60.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542532,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,410.18228,[M+H]+,30.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542533,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,410.18228,[M+H]+,20.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542534,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,410.18228,[M+H]+,60.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542535,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,410.18228,[M+H]+,30.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542536,CCOc1c(NC(=O)c2ccccc2)cc(OCC)c(Nc2nc(=O)[nH]nc2C)c1,410.18228,[M+H]+,20.0,test,CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1
542537,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1,410.18228,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1
542538,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1,410.18228,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1
542539,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1,410.18228,[M+H]+,60.0,test,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1
542540,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1,410.18228,[M+H]+,30.0,test,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1
542541,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1,410.18228,[M+H]+,20.0,test,COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(=O)c(C)c(C)[nH]2)c(OC)c1
542542,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,410.18228,[M+H]+,20.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542543,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,410.18228,[M+H]+,20.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542544,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,410.18228,[M+H]+,60.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542545,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,410.18228,[M+H]+,30.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542546,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,410.18228,[M+H]+,20.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542547,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,410.18228,[M+H]+,60.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542548,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,410.18228,[M+H]+,30.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542549,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,410.18228,[M+H]+,20.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542550,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,432.16422,[M+Na]+,20.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542551,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1,432.16422,[M+Na]+,20.0,test,Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)n1
542552,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,460.12156,[M-H]-,20.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542553,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,460.12156,[M-H]-,20.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542554,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,460.12156,[M-H]-,60.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542555,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,460.12156,[M-H]-,30.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542556,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,460.12156,[M-H]-,20.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542557,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,462.13611,[M+H]+,45.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542558,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,462.13611,[M+H]+,45.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542559,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,462.13611,[M+H]+,20.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542560,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,462.13611,[M+H]+,60.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542561,CCCn1c(=O)c2c(nc(N3CCCC3)s2)n(CC(=O)Nc2c(C)ccc(Cl)c2)c1=O,462.13611,[M+H]+,45.0,test,CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
542562,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1,436.17773,[M+H]+,20.0,test,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1
542563,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1,436.17773,[M+H]+,20.0,test,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1
542564,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1,436.17773,[M+H]+,60.0,test,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1
542565,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1,436.17773,[M+H]+,30.0,test,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1
542566,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1,436.17773,[M+H]+,20.0,test,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1
542567,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1,436.17773,[M+H]+,60.0,test,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1
542568,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1,436.17773,[M+H]+,20.0,test,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1
542569,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1,436.17773,[M+H]+,30.0,test,N#Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)s1
542570,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,415.11556,[M-H]-,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542571,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,415.11556,[M-H]-,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542572,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,415.11556,[M-H]-,45.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542573,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,415.11556,[M-H]-,60.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542574,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,415.11556,[M-H]-,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542575,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,461.12104,[M+FA]-,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542576,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,461.12104,[M+FA]-,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542577,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,461.12104,[M+FA]-,60.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542578,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,461.12104,[M+FA]-,15.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542579,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,461.12104,[M+FA]-,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542580,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,417.13011,[M+H]+,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542581,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,417.13011,[M+H]+,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542582,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,417.13011,[M+H]+,45.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542583,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,417.13011,[M+H]+,60.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542584,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1,417.13011,[M+H]+,20.0,test,O=C(NC1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
542585,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1,417.16563,[M+H]+,20.0,test,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1
542586,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1,417.16563,[M+H]+,20.0,test,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1
542587,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1,417.16563,[M+H]+,60.0,test,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1
542588,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1,417.16563,[M+H]+,15.0,test,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1
542589,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1,417.16563,[M+H]+,20.0,test,CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1
542590,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC,333.20737,[M+H]+,20.0,test,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC
542591,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC,333.20737,[M+H]+,20.0,test,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC
542592,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC,333.20737,[M+H]+,45.0,test,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC
542593,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC,333.20737,[M+H]+,60.0,test,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC
542594,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC,333.20737,[M+H]+,20.0,test,CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC
542595,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21,333.20737,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21
542596,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21,333.20737,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21
542597,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21,333.20737,[M+H]+,60.0,test,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21
542598,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21,333.20737,[M+H]+,30.0,test,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21
542599,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21,333.20737,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21
542600,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21,333.20737,[M+H]+,60.0,test,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21
542601,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21,333.20737,[M+H]+,30.0,test,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21
542602,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21,333.20737,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21
542603,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542604,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542605,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542606,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542607,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542608,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542609,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542610,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,60.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542611,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542612,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542613,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542614,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,60.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542615,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542616,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542617,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542618,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542619,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,60.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542620,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,30.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542621,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542622,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542623,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542624,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542625,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,60.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542626,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
542627,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542628,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542629,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,60.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542630,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542631,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,395.15472,[M-H]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542632,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542633,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542634,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,60.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542635,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,15.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542636,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,441.1602,[M+FA]-,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542637,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,379.15871,[M+H-H2O]+,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542638,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,379.15871,[M+H-H2O]+,60.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542639,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542640,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542641,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,60.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542642,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,30.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542643,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1,397.16927,[M+H]+,20.0,test,Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
542644,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1,397.16927,[M+H]+,20.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
542645,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1,397.16927,[M+H]+,20.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
542646,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1,397.16927,[M+H]+,60.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
542647,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1,397.16927,[M+H]+,15.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
542648,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1,397.16927,[M+H]+,20.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
542649,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O,397.16927,[M+H]+,20.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
542650,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O,397.16927,[M+H]+,20.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
542651,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O,397.16927,[M+H]+,60.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
542652,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O,397.16927,[M+H]+,30.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
542653,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O,397.16927,[M+H]+,20.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
542654,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O,397.16927,[M+H]+,30.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
542655,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O,397.16927,[M+H]+,60.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
542656,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O,397.16927,[M+H]+,20.0,test,CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
542657,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1,397.16927,[M+H]+,45.0,test,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1
542658,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1,397.16927,[M+H]+,45.0,test,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1
542659,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1,397.16927,[M+H]+,45.0,test,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1
542660,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1,397.16927,[M+H]+,60.0,test,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1
542661,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1,397.16927,[M+H]+,20.0,test,COc1ccc(-c2nc(C)c3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1
542662,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,459.11662,[M-H]-,20.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542663,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,459.11662,[M-H]-,20.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542664,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,459.11662,[M-H]-,60.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542665,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,459.11662,[M-H]-,30.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542666,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,459.11662,[M-H]-,20.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542667,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,459.11662,[M-H]-,60.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542668,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,459.11662,[M-H]-,30.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542669,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,459.11662,[M-H]-,20.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542670,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,461.13117,[M+H]+,20.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542671,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,461.13117,[M+H]+,20.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542672,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,461.13117,[M+H]+,60.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542673,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,461.13117,[M+H]+,15.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542674,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1,461.13117,[M+H]+,20.0,test,CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCc4ccccc43)c(C)s2)no1
542675,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1,409.18051,[M+H]+,20.0,test,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1
542676,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1,409.18051,[M+H]+,20.0,test,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1
542677,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1,409.18051,[M+H]+,60.0,test,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1
542678,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1,409.18051,[M+H]+,30.0,test,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1
542679,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1,409.18051,[M+H]+,20.0,test,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1
542680,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1,409.18051,[M+H]+,30.0,test,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1
542681,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1,409.18051,[M+H]+,60.0,test,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1
542682,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1,409.18051,[M+H]+,20.0,test,Cc1cc(C)nc(SCc2c(C(=O)NC3CCCC3)nnn2-c2ccccc2)n1
542683,Cc1cc(=O)n(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,433.11213,[M+H]+,20.0,test,Cc1ccn(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)c(=O)c1
542684,Cc1cc(=O)n(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,433.11213,[M+H]+,20.0,test,Cc1ccn(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)c(=O)c1
542685,Cc1cc(=O)n(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,433.11213,[M+H]+,60.0,test,Cc1ccn(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)c(=O)c1
542686,Cc1cc(=O)n(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,433.11213,[M+H]+,15.0,test,Cc1ccn(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)c(=O)c1
542687,Cc1cc(=O)n(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,433.11213,[M+H]+,20.0,test,Cc1ccn(CC(C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)c(=O)c1
542688,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,20.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542689,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,20.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542690,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,60.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542691,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,30.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542692,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,20.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542693,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,60.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542694,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,30.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542695,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,20.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542696,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,20.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542697,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,20.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542698,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,60.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542699,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,30.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542700,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,20.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542701,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,60.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542702,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,30.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542703,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,422.16412,[M+H]+,20.0,test,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
542704,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2,449.14086,[M+H]+,20.0,test,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2
542705,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2,449.14086,[M+H]+,20.0,test,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2
542706,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2,449.14086,[M+H]+,60.0,test,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2
542707,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2,449.14086,[M+H]+,30.0,test,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2
542708,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2,449.14086,[M+H]+,20.0,test,Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCC(COc3ccncc3Cl)CC1)CS2
542709,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,427.16548,[M-H]-,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542710,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,427.16548,[M-H]-,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542711,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,427.16548,[M-H]-,60.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542712,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,427.16548,[M-H]-,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542713,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,427.16548,[M-H]-,45.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542714,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,473.17095,[M+FA]-,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542715,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,473.17095,[M+FA]-,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542716,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,473.17095,[M+FA]-,60.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542717,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,473.17095,[M+FA]-,15.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542718,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,473.17095,[M+FA]-,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542719,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,429.18003,[M+H]+,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542720,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,429.18003,[M+H]+,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542721,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,429.18003,[M+H]+,60.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542722,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,429.18003,[M+H]+,20.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542723,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3ncn2)CC1,429.18003,[M+H]+,45.0,test,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
542724,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,419.14463,[M-H]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542725,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,419.14463,[M-H]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542726,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,419.14463,[M-H]-,45.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542727,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,419.14463,[M-H]-,60.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542728,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,419.14463,[M-H]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542729,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,419.14463,[M-H]-,45.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542730,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,419.14463,[M-H]-,60.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542731,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,419.14463,[M-H]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542732,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,455.12131,[M+Cl]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542733,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,455.12131,[M+Cl]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542734,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,455.12131,[M+Cl]-,60.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542735,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,465.15011,[M+FA]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542736,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,465.15011,[M+FA]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542737,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,465.15011,[M+FA]-,60.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542738,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,465.15011,[M+FA]-,15.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542739,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,465.15011,[M+FA]-,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542740,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,421.15918,[M+H]+,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542741,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,421.15918,[M+H]+,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542742,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,421.15918,[M+H]+,60.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542743,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,421.15918,[M+H]+,30.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542744,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,421.15918,[M+H]+,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542745,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,421.15918,[M+H]+,60.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542746,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,421.15918,[M+H]+,30.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542747,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1,421.15918,[M+H]+,20.0,test,O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
542748,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,427.18994,[M-H]-,20.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542749,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,427.18994,[M-H]-,20.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542750,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,427.18994,[M-H]-,60.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542751,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,427.18994,[M-H]-,30.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542752,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,427.18994,[M-H]-,20.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542753,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,429.20449,[M+H]+,20.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542754,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,429.20449,[M+H]+,20.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542755,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,429.20449,[M+H]+,60.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542756,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,429.20449,[M+H]+,30.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542757,CCNC(=O)Nc1nc2c(cc(-c3cnc(C(C)(C)O)nc3)c(F)c2[C@H]2CCCO2)[nH]1,429.20449,[M+H]+,20.0,test,CCNC(=O)Nc1nc2c([C@H]3CCCO3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1
542758,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,366.18232,[M-H]-,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542759,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,366.18232,[M-H]-,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542760,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,366.18232,[M-H]-,60.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542761,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,366.18232,[M-H]-,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542762,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,366.18232,[M-H]-,45.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542763,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,366.18232,[M-H]-,60.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542764,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,366.18232,[M-H]-,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542765,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,402.15899,[M+Cl]-,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542766,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,402.15899,[M+Cl]-,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542767,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,402.15899,[M+Cl]-,60.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542768,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,402.15899,[M+Cl]-,15.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542769,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,402.15899,[M+Cl]-,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542770,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,412.18779,[M+FA]-,15.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542771,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,412.18779,[M+FA]-,15.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542772,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,412.18779,[M+FA]-,60.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542773,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,412.18779,[M+FA]-,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542774,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,412.18779,[M+FA]-,15.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542775,COc1c(-c2ccccn2)cc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1,368.19687,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1
542776,COc1c(-c2ccccn2)cc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1,368.19687,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1
542777,COc1c(-c2ccccn2)cc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1,368.19687,[M+H]+,60.0,test,COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1
542778,COc1c(-c2ccccn2)cc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1,368.19687,[M+H]+,30.0,test,COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1
542779,COc1c(-c2ccccn2)cc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1,368.19687,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1
542780,COc1c(-c2ccccn2)cc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1,368.19687,[M+H]+,60.0,test,COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1
542781,COc1c(-c2ccccn2)cc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1,368.19687,[M+H]+,30.0,test,COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1
542782,COc1c(-c2ccccn2)cc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1,368.19687,[M+H]+,20.0,test,COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1
542783,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,368.19687,[M+H]+,20.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542784,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,368.19687,[M+H]+,20.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542785,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,368.19687,[M+H]+,30.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542786,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,368.19687,[M+H]+,60.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542787,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,368.19687,[M+H]+,15.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542788,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,368.19687,[M+H]+,20.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542789,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,368.19687,[M+H]+,60.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542790,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,368.19687,[M+H]+,20.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542791,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,390.17881,[M+Na]+,45.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542792,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,390.17881,[M+Na]+,45.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542793,Cc1c(C)cc(OCCCC(=O)N2CCCc3c2nc(C(N)=O)cc3)cc1,390.17881,[M+Na]+,45.0,test,Cc1ccc(OCCCC(=O)N2CCCc3ccc(C(N)=O)nc32)cc1C
542794,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,368.19687,[M+H]+,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542795,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,368.19687,[M+H]+,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542796,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,368.19687,[M+H]+,60.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542797,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,368.19687,[M+H]+,30.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542798,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,368.19687,[M+H]+,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542799,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,368.19687,[M+H]+,60.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542800,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,368.19687,[M+H]+,30.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542801,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1,368.19687,[M+H]+,20.0,test,COC1CCCCC1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1
542802,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21,368.19687,[M+H]+,20.0,test,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21
542803,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21,368.19687,[M+H]+,20.0,test,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21
542804,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21,368.19687,[M+H]+,60.0,test,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21
542805,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21,368.19687,[M+H]+,15.0,test,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21
542806,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21,368.19687,[M+H]+,20.0,test,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21
542807,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21,368.19687,[M+H]+,60.0,test,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21
542808,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21,368.19687,[M+H]+,15.0,test,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21
542809,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21,368.19687,[M+H]+,20.0,test,CN1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)Cc2ccccc21
542810,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,350.18631,[M+H-H2O]+,30.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542811,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,350.18631,[M+H-H2O]+,30.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542812,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,350.18631,[M+H-H2O]+,20.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542813,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,350.18631,[M+H-H2O]+,60.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542814,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,350.18631,[M+H-H2O]+,30.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542815,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,368.19687,[M+H]+,20.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542816,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,368.19687,[M+H]+,20.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542817,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,368.19687,[M+H]+,60.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542818,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,368.19687,[M+H]+,30.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542819,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,368.19687,[M+H]+,20.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542820,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,368.19687,[M+H]+,60.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542821,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,368.19687,[M+H]+,30.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542822,CC(C)C(=O)Nc1nccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1,368.19687,[M+H]+,20.0,test,CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1
542823,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,366.18232,[M-H]-,20.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542824,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,366.18232,[M-H]-,20.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542825,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,368.19687,[M+H]+,20.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542826,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,368.19687,[M+H]+,20.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542827,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,368.19687,[M+H]+,60.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542828,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,368.19687,[M+H]+,20.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542829,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,368.19687,[M+H]+,45.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542830,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,368.19687,[M+H]+,60.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542831,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,368.19687,[M+H]+,20.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542832,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,368.19687,[M+H]+,45.0,test,Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
542833,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,366.18232,[M-H]-,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542834,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,366.18232,[M-H]-,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542835,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,366.18232,[M-H]-,60.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542836,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,366.18232,[M-H]-,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542837,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,366.18232,[M-H]-,45.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542838,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,366.18232,[M-H]-,60.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542839,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,366.18232,[M-H]-,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542840,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,366.18232,[M-H]-,45.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542841,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,402.15899,[M+Cl]-,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542842,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,412.18779,[M+FA]-,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542843,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,412.18779,[M+FA]-,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542844,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,412.18779,[M+FA]-,60.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542845,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,412.18779,[M+FA]-,15.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542846,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,412.18779,[M+FA]-,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542847,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,366.18232,[M-H]-,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542848,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,366.18232,[M-H]-,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542849,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,366.18232,[M-H]-,60.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542850,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,366.18232,[M-H]-,15.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542851,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,366.18232,[M-H]-,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542852,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,412.18779,[M+FA]-,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542853,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,412.18779,[M+FA]-,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542854,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,412.18779,[M+FA]-,60.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542855,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,412.18779,[M+FA]-,15.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542856,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,412.18779,[M+FA]-,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542857,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,368.19687,[M+H]+,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542858,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,368.19687,[M+H]+,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542859,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,368.19687,[M+H]+,60.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542860,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,368.19687,[M+H]+,15.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542861,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,368.19687,[M+H]+,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542862,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,368.19687,[M+H]+,60.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542863,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,368.19687,[M+H]+,15.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542864,O=C(CC1(Cn2cccc2)CCCCC1)Nc1cc2c(cc1)NC(=O)CO2,368.19687,[M+H]+,20.0,test,O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2
542865,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,368.19687,[M+H]+,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542866,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,368.19687,[M+H]+,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542867,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,368.19687,[M+H]+,60.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542868,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,368.19687,[M+H]+,30.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542869,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,368.19687,[M+H]+,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542870,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,368.19687,[M+H]+,60.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542871,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,368.19687,[M+H]+,30.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542872,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC,368.19687,[M+H]+,20.0,test,COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC
542873,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,368.19687,[M+H]+,20.0,test,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
542874,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,368.19687,[M+H]+,20.0,test,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
542875,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,368.19687,[M+H]+,60.0,test,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
542876,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,368.19687,[M+H]+,30.0,test,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
542877,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,368.19687,[M+H]+,20.0,test,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
542878,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,368.19687,[M+H]+,60.0,test,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
542879,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,368.19687,[M+H]+,30.0,test,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
542880,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,368.19687,[M+H]+,20.0,test,CCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
542881,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542882,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542883,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,60.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542884,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,15.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542885,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542886,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,60.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542887,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,15.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542888,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542889,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542890,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542891,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,60.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542892,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,15.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542893,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542894,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542895,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542896,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,60.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542897,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,15.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542898,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542899,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,60.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542900,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,15.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542901,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,538.10718,[M-H]-,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542902,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542903,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542904,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,60.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542905,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,15.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542906,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542907,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,60.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542908,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,15.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542909,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,540.12173,[M+H]+,20.0,test,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
542910,CNC(=O)c1nn(C)c2c1cc(Nc1nccc(-n3cc(CN(C)C)c(C)n3)n1)cc2,420.22548,[M+H]+,20.0,test,CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12
542911,CNC(=O)c1nn(C)c2c1cc(Nc1nccc(-n3cc(CN(C)C)c(C)n3)n1)cc2,420.22548,[M+H]+,20.0,test,CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12
542912,CNC(=O)c1nn(C)c2c1cc(Nc1nccc(-n3cc(CN(C)C)c(C)n3)n1)cc2,420.22548,[M+H]+,30.0,test,CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12
542913,CNC(=O)c1nn(C)c2c1cc(Nc1nccc(-n3cc(CN(C)C)c(C)n3)n1)cc2,420.22548,[M+H]+,60.0,test,CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12
542914,CNC(=O)c1nn(C)c2c1cc(Nc1nccc(-n3cc(CN(C)C)c(C)n3)n1)cc2,420.22548,[M+H]+,15.0,test,CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12
542915,CNC(=O)c1nn(C)c2c1cc(Nc1nccc(-n3cc(CN(C)C)c(C)n3)n1)cc2,420.22548,[M+H]+,20.0,test,CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12
542916,CNC(=O)c1nn(C)c2c1cc(Nc1nccc(-n3cc(CN(C)C)c(C)n3)n1)cc2,420.22548,[M+H]+,60.0,test,CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12
542917,CNC(=O)c1nn(C)c2c1cc(Nc1nccc(-n3cc(CN(C)C)c(C)n3)n1)cc2,420.22548,[M+H]+,20.0,test,CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12
542918,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1,420.22548,[M+H]+,20.0,test,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1
542919,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1,420.22548,[M+H]+,20.0,test,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1
542920,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1,420.22548,[M+H]+,45.0,test,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1
542921,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1,420.22548,[M+H]+,60.0,test,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1
542922,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1,420.22548,[M+H]+,20.0,test,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1
542923,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1,420.22548,[M+H]+,45.0,test,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1
542924,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1,420.22548,[M+H]+,60.0,test,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1
542925,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1,420.22548,[M+H]+,20.0,test,CC(C)c1noc(CN2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)n1
542926,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542927,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542928,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,30.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542929,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542930,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542931,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,45.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542932,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542933,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542934,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,288.17469,[M+H-2H2O]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542935,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,288.17469,[M+H-2H2O]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542936,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,288.17469,[M+H-2H2O]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542937,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,288.17469,[M+H-2H2O]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542938,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,288.17469,[M+H-2H2O]+,45.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542939,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542940,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542941,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,30.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542942,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542943,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542944,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,45.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542945,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542946,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542947,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542948,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542949,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542950,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,30.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542951,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542952,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542953,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,30.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542954,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542955,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542956,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542957,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542958,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,30.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542959,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542960,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,60.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542961,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,30.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542962,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,324.19581,[M+H]+,20.0,test,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
542963,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C,324.19581,[M+H]+,20.0,test,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C
542964,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C,324.19581,[M+H]+,20.0,test,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C
542965,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C,324.19581,[M+H]+,30.0,test,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C
542966,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C,324.19581,[M+H]+,60.0,test,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C
542967,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C,324.19581,[M+H]+,20.0,test,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C
542968,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C,324.19581,[M+H]+,45.0,test,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C
542969,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C,324.19581,[M+H]+,60.0,test,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C
542970,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C,324.19581,[M+H]+,20.0,test,CCCC(=O)N1CCc2c(-c3ccc(OC)cc3)cccc2[C@H]1C
542971,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,20.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542972,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,20.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542973,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,30.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542974,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,60.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542975,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,20.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542976,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,45.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542977,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,60.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542978,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,30.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542979,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1,324.19581,[M+H]+,20.0,test,Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1
542980,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2,324.19581,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2
542981,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2,324.19581,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2
542982,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2,324.19581,[M+H]+,45.0,test,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2
542983,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2,324.19581,[M+H]+,60.0,test,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2
542984,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2,324.19581,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2
542985,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2,324.19581,[M+H]+,45.0,test,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2
542986,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2,324.19581,[M+H]+,60.0,test,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2
542987,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2,324.19581,[M+H]+,20.0,test,COc1cc2c(cc1OC)C1CC(c3ccccc3)CCN1CC2
542988,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1,324.19581,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
542989,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1,324.19581,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
542990,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1,324.19581,[M+H]+,15.0,test,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
542991,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1,324.19581,[M+H]+,60.0,test,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
542992,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1,324.19581,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
542993,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1,324.19581,[M+H]+,45.0,test,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
542994,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1,324.19581,[M+H]+,20.0,test,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
542995,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1,324.19581,[M+H]+,60.0,test,Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
542996,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1,324.19581,[M+H]+,20.0,test,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
542997,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1,324.19581,[M+H]+,20.0,test,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
542998,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1,324.19581,[M+H]+,60.0,test,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
542999,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1,324.19581,[M+H]+,30.0,test,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
543000,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1,324.19581,[M+H]+,20.0,test,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
543001,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1,324.19581,[M+H]+,60.0,test,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
543002,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1,324.19581,[M+H]+,30.0,test,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
543003,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1,324.19581,[M+H]+,20.0,test,O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
543004,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1,324.19581,[M+H]+,20.0,test,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
543005,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1,324.19581,[M+H]+,20.0,test,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
543006,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1,324.19581,[M+H]+,60.0,test,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
543007,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1,324.19581,[M+H]+,30.0,test,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
543008,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1,324.19581,[M+H]+,20.0,test,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
543009,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1,324.19581,[M+H]+,30.0,test,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
543010,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1,324.19581,[M+H]+,20.0,test,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
543011,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1,324.19581,[M+H]+,60.0,test,CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
543012,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1,324.19581,[M+H]+,20.0,test,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1
543013,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1,324.19581,[M+H]+,20.0,test,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1
543014,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1,324.19581,[M+H]+,60.0,test,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1
543015,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1,324.19581,[M+H]+,30.0,test,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1
543016,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1,324.19581,[M+H]+,20.0,test,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1
543017,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1,324.19581,[M+H]+,60.0,test,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1
543018,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1,324.19581,[M+H]+,30.0,test,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1
543019,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1,324.19581,[M+H]+,20.0,test,COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCCC2)cc1
543020,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,20.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543021,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,20.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543022,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,30.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543023,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,60.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543024,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,20.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543025,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,45.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543026,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,30.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543027,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,60.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543028,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1,324.19581,[M+H]+,20.0,test,COc1ccc(CC(=O)NC(c2ccccc2)C2CCCC2)cc1
543029,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1,324.19581,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1
543030,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1,324.19581,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1
543031,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1,324.19581,[M+H]+,60.0,test,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1
543032,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1,324.19581,[M+H]+,30.0,test,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1
543033,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1,324.19581,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1
543034,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1,324.19581,[M+H]+,60.0,test,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1
543035,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1,324.19581,[M+H]+,30.0,test,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1
543036,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1,324.19581,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1
543037,Cc1c(C(=O)N2CCCCC2Cc2ccccc2)cc(S(C)(=O)=O)cc1,372.16279,[M+H]+,20.0,test,Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCC1Cc1ccccc1
543038,Cc1c(C(=O)N2CCCCC2Cc2ccccc2)cc(S(C)(=O)=O)cc1,372.16279,[M+H]+,20.0,test,Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCC1Cc1ccccc1
543039,Cc1c(C(=O)N2CCCCC2Cc2ccccc2)cc(S(C)(=O)=O)cc1,372.16279,[M+H]+,30.0,test,Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCC1Cc1ccccc1
543040,Cc1c(C(=O)N2CCCCC2Cc2ccccc2)cc(S(C)(=O)=O)cc1,372.16279,[M+H]+,60.0,test,Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCC1Cc1ccccc1
543041,Cc1c(C(=O)N2CCCCC2Cc2ccccc2)cc(S(C)(=O)=O)cc1,372.16279,[M+H]+,20.0,test,Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCC1Cc1ccccc1
543042,Cc1c(C(=O)N2CCCCC2Cc2ccccc2)cc(S(C)(=O)=O)cc1,372.16279,[M+H]+,30.0,test,Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCC1Cc1ccccc1
543043,Cc1c(C(=O)N2CCCCC2Cc2ccccc2)cc(S(C)(=O)=O)cc1,372.16279,[M+H]+,60.0,test,Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCC1Cc1ccccc1
543044,Cc1c(C(=O)N2CCCCC2Cc2ccccc2)cc(S(C)(=O)=O)cc1,372.16279,[M+H]+,20.0,test,Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCC1Cc1ccccc1
543045,CC(C)(C)CC(C)(C)c1cc(Cc2c(Cl)cc(Cl)cc2)c(O)cc1,363.1288,[M-H]-,20.0,test,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1
543046,CC(C)(C)CC(C)(C)c1cc(Cc2c(Cl)cc(Cl)cc2)c(O)cc1,363.1288,[M-H]-,15.0,test,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1
543047,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1,409.19334,[M+H]+,20.0,test,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1
543048,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1,409.19334,[M+H]+,20.0,test,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1
543049,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1,409.19334,[M+H]+,60.0,test,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1
543050,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1,409.19334,[M+H]+,30.0,test,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1
543051,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1,409.19334,[M+H]+,20.0,test,O=C(C1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1
543052,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2c1cc(F)cc2,384.21941,[M+H]+,20.0,test,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2ccc(F)cc21
543053,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2c1cc(F)cc2,384.21941,[M+H]+,20.0,test,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2ccc(F)cc21
543054,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2c1cc(F)cc2,384.21941,[M+H]+,30.0,test,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2ccc(F)cc21
543055,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2c1cc(F)cc2,384.21941,[M+H]+,60.0,test,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2ccc(F)cc21
543056,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2c1cc(F)cc2,384.21941,[M+H]+,20.0,test,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2ccc(F)cc21
543057,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2c1cc(F)cc2,384.21941,[M+H]+,45.0,test,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2ccc(F)cc21
543058,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2c1cc(F)cc2,384.21941,[M+H]+,60.0,test,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2ccc(F)cc21
543059,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2c1cc(F)cc2,384.21941,[M+H]+,20.0,test,CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)c2ccc(F)cc21
543060,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543061,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543062,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,60.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543063,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,30.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543064,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543065,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,60.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543066,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,30.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543067,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543068,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543069,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543070,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,60.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543071,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,30.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543072,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543073,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,60.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543074,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,30.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543075,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543076,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543077,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543078,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,60.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543079,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,30.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543080,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543081,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,60.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543082,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,30.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543083,COc1c(NC(=O)[C@@H](N)CO)cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,403.18636,[M+H]+,20.0,test,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
543084,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,349.20339,[M-H]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543085,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,349.20339,[M-H]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543086,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,349.20339,[M-H]-,60.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543087,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,349.20339,[M-H]-,30.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543088,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,349.20339,[M-H]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543089,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,349.20339,[M-H]-,60.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543090,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,349.20339,[M-H]-,30.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543091,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,349.20339,[M-H]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543092,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,385.18006,[M+Cl]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543093,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,385.18006,[M+Cl]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543094,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,385.18006,[M+Cl]-,60.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543095,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,385.18006,[M+Cl]-,15.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543096,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,385.18006,[M+Cl]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543097,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,395.20886,[M+FA]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543098,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,395.20886,[M+FA]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543099,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,395.20886,[M+FA]-,60.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543100,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,395.20886,[M+FA]-,15.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543101,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,395.20886,[M+FA]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543102,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,395.20886,[M+FA]-,60.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543103,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,395.20886,[M+FA]-,15.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543104,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,395.20886,[M+FA]-,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543105,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,385.18006,[M+Cl]-,20.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543106,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,395.20886,[M+FA]-,20.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543107,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,395.20886,[M+FA]-,20.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543108,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,395.20886,[M+FA]-,60.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543109,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,395.20886,[M+FA]-,15.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543110,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,395.20886,[M+FA]-,20.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543111,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,395.20886,[M+FA]-,60.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543112,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,395.20886,[M+FA]-,15.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543113,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,395.20886,[M+FA]-,20.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543114,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,351.21794,[M+H]+,20.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543115,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,351.21794,[M+H]+,20.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543116,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,351.21794,[M+H]+,60.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543117,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,351.21794,[M+H]+,30.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543118,CC(C)(C)[C@H](N)C(=O)NCc1cc(Cn2cnc3ccccc32)ccc1,351.21794,[M+H]+,20.0,test,CC(C)(C)[C@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
543119,O=C(Cc1cc2c(cc1)CCC2)N1CCC(c2nnc3CCCn32)CC1,351.21794,[M+H]+,20.0,test,O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1
543120,O=C(Cc1cc2c(cc1)CCC2)N1CCC(c2nnc3CCCn32)CC1,351.21794,[M+H]+,20.0,test,O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1
543121,O=C(Cc1cc2c(cc1)CCC2)N1CCC(c2nnc3CCCn32)CC1,351.21794,[M+H]+,60.0,test,O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1
543122,O=C(Cc1cc2c(cc1)CCC2)N1CCC(c2nnc3CCCn32)CC1,351.21794,[M+H]+,15.0,test,O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1
543123,O=C(Cc1cc2c(cc1)CCC2)N1CCC(c2nnc3CCCn32)CC1,351.21794,[M+H]+,20.0,test,O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1
543124,O=C(Cc1cc2c(cc1)CCC2)N1CCC(c2nnc3CCCn32)CC1,351.21794,[M+H]+,45.0,test,O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1
543125,O=C(Cc1cc2c(cc1)CCC2)N1CCC(c2nnc3CCCn32)CC1,351.21794,[M+H]+,60.0,test,O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1
543126,O=C(Cc1cc2c(cc1)CCC2)N1CCC(c2nnc3CCCn32)CC1,351.21794,[M+H]+,20.0,test,O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1
543127,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,351.21794,[M+H]+,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543128,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,351.21794,[M+H]+,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543129,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,351.21794,[M+H]+,60.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543130,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,351.21794,[M+H]+,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543131,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,351.21794,[M+H]+,45.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543132,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,351.21794,[M+H]+,60.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543133,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,351.21794,[M+H]+,20.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543134,O=C(NC1CCc2c(C1)[nH]cn2)NC1C2CCC1Cc1ccccc1C2,351.21794,[M+H]+,45.0,test,O=C(NC1CCc2nc[nH]c2C1)NC1C2CCC1Cc1ccccc1C2
543135,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1,351.21794,[M+H]+,20.0,test,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1
543136,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1,351.21794,[M+H]+,20.0,test,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1
543137,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1,351.21794,[M+H]+,60.0,test,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1
543138,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1,351.21794,[M+H]+,30.0,test,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1
543139,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1,351.21794,[M+H]+,20.0,test,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1
543140,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1,351.21794,[M+H]+,60.0,test,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1
543141,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1,351.21794,[M+H]+,30.0,test,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1
543142,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1,351.21794,[M+H]+,20.0,test,O=C(CN1CCN(c2ccccn2)CC1)N1CC(Cc2ccccc2)C1
543143,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1,351.21794,[M+H]+,20.0,test,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1
543144,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1,351.21794,[M+H]+,20.0,test,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1
543145,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1,351.21794,[M+H]+,60.0,test,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1
543146,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1,351.21794,[M+H]+,30.0,test,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1
543147,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1,351.21794,[M+H]+,20.0,test,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1
543148,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1,351.21794,[M+H]+,20.0,test,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
543149,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1,351.21794,[M+H]+,20.0,test,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
543150,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1,351.21794,[M+H]+,60.0,test,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
543151,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1,351.21794,[M+H]+,20.0,test,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
543152,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1,351.21794,[M+H]+,45.0,test,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
543153,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1,351.21794,[M+H]+,60.0,test,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
543154,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1,351.21794,[M+H]+,20.0,test,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
543155,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1,351.21794,[M+H]+,45.0,test,Cc1ccccc1Nc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
543156,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12,351.21794,[M+H]+,20.0,test,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12
543157,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12,351.21794,[M+H]+,20.0,test,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12
543158,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12,351.21794,[M+H]+,60.0,test,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12
543159,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12,351.21794,[M+H]+,30.0,test,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12
543160,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12,351.21794,[M+H]+,20.0,test,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12
543161,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12,351.21794,[M+H]+,60.0,test,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12
543162,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12,351.21794,[M+H]+,30.0,test,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12
543163,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12,351.21794,[M+H]+,20.0,test,CCN(CCN(C)C)c1nc(-c2ccc(OC)cc2)nc2ccccc12
543164,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,365.1983,[M-H]-,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543165,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,365.1983,[M-H]-,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543166,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,365.1983,[M-H]-,60.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543167,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,365.1983,[M-H]-,30.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543168,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,365.1983,[M-H]-,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543169,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,365.1983,[M-H]-,60.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543170,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,365.1983,[M-H]-,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543171,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,401.17498,[M+Cl]-,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543172,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,401.17498,[M+Cl]-,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543173,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,401.17498,[M+Cl]-,60.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543174,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,401.17498,[M+Cl]-,15.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543175,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,401.17498,[M+Cl]-,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543176,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,365.1983,[M-H]-,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543177,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,365.1983,[M-H]-,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543178,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,365.1983,[M-H]-,60.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543179,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,365.1983,[M-H]-,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543180,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,365.1983,[M-H]-,45.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543181,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,411.20378,[M+FA]-,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543182,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,411.20378,[M+FA]-,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543183,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,411.20378,[M+FA]-,60.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543184,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,411.20378,[M+FA]-,15.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543185,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,411.20378,[M+FA]-,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543186,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,365.1983,[M-H]-,20.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543187,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,365.1983,[M-H]-,20.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543188,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,365.1983,[M-H]-,60.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543189,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,365.1983,[M-H]-,30.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543190,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,365.1983,[M-H]-,20.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543191,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,411.20378,[M+FA]-,20.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543192,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,411.20378,[M+FA]-,20.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543193,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,411.20378,[M+FA]-,60.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543194,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,411.20378,[M+FA]-,15.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543195,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,411.20378,[M+FA]-,20.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543196,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,365.1983,[M-H]-,20.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543197,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,365.1983,[M-H]-,20.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543198,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,365.1983,[M-H]-,60.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543199,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,365.1983,[M-H]-,20.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543200,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,365.1983,[M-H]-,45.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543201,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,365.1983,[M-H]-,60.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543202,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,365.1983,[M-H]-,20.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543203,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,365.1983,[M-H]-,45.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543204,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,365.1983,[M-H]-,20.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543205,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,365.1983,[M-H]-,20.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543206,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,365.1983,[M-H]-,60.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543207,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,365.1983,[M-H]-,20.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543208,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,365.1983,[M-H]-,45.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543209,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,365.1983,[M-H]-,60.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543210,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,365.1983,[M-H]-,20.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543211,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,365.1983,[M-H]-,45.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543212,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,367.21285,[M+H]+,20.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543213,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,367.21285,[M+H]+,20.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543214,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,367.21285,[M+H]+,60.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543215,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,367.21285,[M+H]+,30.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543216,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,367.21285,[M+H]+,20.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543217,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,367.21285,[M+H]+,60.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543218,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,367.21285,[M+H]+,30.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543219,CC1CCC(N2CC(C(=O)Nc3c(-c4ccccc4)[nH]nc3)CC2=O)CC1,367.21285,[M+H]+,20.0,test,CC1CCC(N2CC(C(=O)Nc3cn[nH]c3-c3ccccc3)CC2=O)CC1
543220,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,367.21285,[M+H]+,20.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543221,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,367.21285,[M+H]+,20.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543222,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,367.21285,[M+H]+,60.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543223,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,367.21285,[M+H]+,30.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543224,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,367.21285,[M+H]+,20.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543225,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,367.21285,[M+H]+,60.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543226,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,367.21285,[M+H]+,30.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543227,CC(=O)Nc1c(C2CCCN(C(=O)C3CCCc4ccccc43)C2)[nH]nc1,367.21285,[M+H]+,20.0,test,CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCc3ccccc32)C1
543228,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,367.21285,[M+H]+,20.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543229,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,367.21285,[M+H]+,20.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543230,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,367.21285,[M+H]+,60.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543231,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,367.21285,[M+H]+,30.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543232,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,367.21285,[M+H]+,20.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543233,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,367.21285,[M+H]+,60.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543234,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,367.21285,[M+H]+,30.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543235,CCNC(=O)c1cnc(NCc2cc(C(=O)N3CCCCC3)ccc2)cc1,367.21285,[M+H]+,20.0,test,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
543236,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,367.21285,[M+H]+,20.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543237,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,367.21285,[M+H]+,20.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543238,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,367.21285,[M+H]+,60.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543239,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,367.21285,[M+H]+,30.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543240,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,367.21285,[M+H]+,20.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543241,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,367.21285,[M+H]+,60.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543242,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,367.21285,[M+H]+,30.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543243,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1,367.21285,[M+H]+,20.0,test,Cn1cc(C(=O)NCCC2C(=O)Nc3ccccc32)c(C2CCCCC2)n1
543244,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,367.21285,[M+H]+,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543245,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,367.21285,[M+H]+,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543246,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,367.21285,[M+H]+,60.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543247,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,367.21285,[M+H]+,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543248,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,367.21285,[M+H]+,45.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543249,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,367.21285,[M+H]+,60.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543250,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,367.21285,[M+H]+,20.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543251,Cn1nc2CCCc2c1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1,367.21285,[M+H]+,45.0,test,Cn1nc2c(c1NC(=O)C1CCCN(C(=O)Cc3ccccc3)C1)CCC2
543252,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1,367.21285,[M+H]+,20.0,test,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1
543253,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1,367.21285,[M+H]+,20.0,test,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1
543254,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1,367.21285,[M+H]+,60.0,test,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1
543255,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1,367.21285,[M+H]+,30.0,test,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1
543256,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1,367.21285,[M+H]+,20.0,test,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1
543257,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1,367.21285,[M+H]+,60.0,test,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1
543258,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1,367.21285,[M+H]+,30.0,test,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1
543259,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1,367.21285,[M+H]+,20.0,test,O=C(NCCC1=CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1
543260,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1,367.21285,[M+H]+,20.0,test,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
543261,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1,367.21285,[M+H]+,20.0,test,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
543262,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1,367.21285,[M+H]+,60.0,test,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
543263,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1,367.21285,[M+H]+,20.0,test,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
543264,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1,367.21285,[M+H]+,45.0,test,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
543265,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1,367.21285,[M+H]+,60.0,test,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
543266,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1,367.21285,[M+H]+,20.0,test,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
543267,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1,367.21285,[M+H]+,45.0,test,O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
543268,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,367.21285,[M+H]+,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543269,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,367.21285,[M+H]+,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543270,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,367.21285,[M+H]+,60.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543271,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,367.21285,[M+H]+,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543272,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,367.21285,[M+H]+,45.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543273,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,367.21285,[M+H]+,60.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543274,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,367.21285,[M+H]+,20.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543275,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O,367.21285,[M+H]+,45.0,test,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
543276,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,367.21285,[M+H]+,20.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543277,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,367.21285,[M+H]+,20.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543278,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,367.21285,[M+H]+,60.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543279,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,367.21285,[M+H]+,20.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543280,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,367.21285,[M+H]+,45.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543281,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,367.21285,[M+H]+,60.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543282,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,367.21285,[M+H]+,20.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543283,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,367.21285,[M+H]+,45.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543284,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,384.2394,[M+NH4]+,20.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543285,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,384.2394,[M+NH4]+,30.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543286,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2,384.2394,[M+NH4]+,20.0,test,COC1C2CC3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)C1C3C2
543287,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,365.1983,[M-H]-,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543288,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,365.1983,[M-H]-,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543289,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,365.1983,[M-H]-,60.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543290,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,365.1983,[M-H]-,30.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543291,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,365.1983,[M-H]-,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543292,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,401.17498,[M+Cl]-,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543293,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,401.17498,[M+Cl]-,15.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543294,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,411.20378,[M+FA]-,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543295,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,411.20378,[M+FA]-,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543296,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,411.20378,[M+FA]-,60.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543297,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,411.20378,[M+FA]-,15.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543298,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,411.20378,[M+FA]-,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543299,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,411.20378,[M+FA]-,60.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543300,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,411.20378,[M+FA]-,15.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543301,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,411.20378,[M+FA]-,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543302,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,367.21285,[M+H]+,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543303,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,367.21285,[M+H]+,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543304,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,367.21285,[M+H]+,60.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543305,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,367.21285,[M+H]+,30.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543306,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,367.21285,[M+H]+,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543307,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,367.21285,[M+H]+,60.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543308,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,367.21285,[M+H]+,30.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543309,Cc1c(CNc2cc(C(=O)NCCO)cn3c(C)c(C)nc23)c(C)ccc1,367.21285,[M+H]+,20.0,test,Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
543310,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,365.1983,[M-H]-,20.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543311,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,365.1983,[M-H]-,20.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543312,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,365.1983,[M-H]-,60.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543313,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,365.1983,[M-H]-,20.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543314,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,365.1983,[M-H]-,45.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543315,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,365.1983,[M-H]-,60.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543316,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,365.1983,[M-H]-,20.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543317,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,365.1983,[M-H]-,45.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543318,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,367.21285,[M+H]+,20.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543319,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,367.21285,[M+H]+,20.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543320,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,367.21285,[M+H]+,60.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543321,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,367.21285,[M+H]+,30.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543322,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,367.21285,[M+H]+,20.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543323,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,367.21285,[M+H]+,60.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543324,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,367.21285,[M+H]+,30.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543325,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,367.21285,[M+H]+,20.0,test,CCC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
543326,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,487.17691,[M+FA]-,15.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543327,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,487.17691,[M+FA]-,20.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543328,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,487.17691,[M+FA]-,60.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543329,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,487.17691,[M+FA]-,20.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543330,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,487.17691,[M+FA]-,20.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543331,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,487.17691,[M+FA]-,60.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543332,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,487.17691,[M+FA]-,15.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543333,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,487.17691,[M+FA]-,20.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543334,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,487.17691,[M+FA]-,15.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543335,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,487.17691,[M+FA]-,20.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543336,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,487.17691,[M+FA]-,60.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543337,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,443.18599,[M+H]+,20.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543338,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,443.18599,[M+H]+,20.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543339,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,443.18599,[M+H]+,60.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543340,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,443.18599,[M+H]+,20.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543341,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,443.18599,[M+H]+,60.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543342,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1,443.18599,[M+H]+,20.0,test,COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1
543343,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,443.18599,[M+H]+,20.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543344,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,443.18599,[M+H]+,20.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543345,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,443.18599,[M+H]+,60.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543346,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,443.18599,[M+H]+,20.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543347,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,443.18599,[M+H]+,60.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543348,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C,443.18599,[M+H]+,20.0,test,COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C
543349,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,341.17583,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543350,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,341.17583,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543351,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,341.17583,[M-H]-,60.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543352,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,341.17583,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543353,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,341.17583,[M-H]-,45.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543354,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,341.17583,[M-H]-,60.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543355,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,341.17583,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543356,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,341.17583,[M-H]-,45.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543357,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,343.19038,[M+H]+,20.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543358,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,343.19038,[M+H]+,20.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543359,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,343.19038,[M+H]+,60.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543360,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,343.19038,[M+H]+,30.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543361,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O,343.19038,[M+H]+,20.0,test,O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
543362,C=CCc1cc(OC)c(OC(C)Cc2cc(OC)c(OC)cc2)cc1,360.21693,[M+NH4]+,20.0,test,C=CCc1ccc(OC(C)Cc2ccc(OC)c(OC)c2)c(OC)c1
543363,C=CCc1cc(OC)c(OC(C)Cc2cc(OC)c(OC)cc2)cc1,360.21693,[M+NH4]+,20.0,test,C=CCc1ccc(OC(C)Cc2ccc(OC)c(OC)c2)c(OC)c1
543364,C=CCc1cc(OC)c(OC(C)Cc2cc(OC)c(OC)cc2)cc1,360.21693,[M+NH4]+,60.0,test,C=CCc1ccc(OC(C)Cc2ccc(OC)c(OC)c2)c(OC)c1
543365,C=CCc1cc(OC)c(OC(C)Cc2cc(OC)c(OC)cc2)cc1,360.21693,[M+NH4]+,15.0,test,C=CCc1ccc(OC(C)Cc2ccc(OC)c(OC)c2)c(OC)c1
543366,C=CCc1cc(OC)c(OC(C)Cc2cc(OC)c(OC)cc2)cc1,360.21693,[M+NH4]+,20.0,test,C=CCc1ccc(OC(C)Cc2ccc(OC)c(OC)c2)c(OC)c1
543367,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,341.17583,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O
543368,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,341.17583,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O
543369,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,341.17583,[M-H]-,45.0,test,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O
543370,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,341.17583,[M-H]-,60.0,test,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O
543371,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,341.17583,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O
543372,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,341.17583,[M-H]-,45.0,test,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O
543373,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,341.17583,[M-H]-,60.0,test,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O
543374,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,341.17583,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O
543375,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,341.17583,[M-H]-,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543376,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,341.17583,[M-H]-,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543377,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,341.17583,[M-H]-,60.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543378,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,341.17583,[M-H]-,30.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543379,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,341.17583,[M-H]-,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543380,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,341.17583,[M-H]-,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543381,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,341.17583,[M-H]-,30.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543382,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,341.17583,[M-H]-,60.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543383,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,387.18131,[M+FA]-,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543384,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,387.18131,[M+FA]-,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543385,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,387.18131,[M+FA]-,60.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543386,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,387.18131,[M+FA]-,30.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543387,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,387.18131,[M+FA]-,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543388,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,343.19038,[M+H]+,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543389,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,343.19038,[M+H]+,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543390,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,343.19038,[M+H]+,45.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543391,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,343.19038,[M+H]+,60.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543392,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,343.19038,[M+H]+,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543393,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,343.19038,[M+H]+,20.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543394,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,343.19038,[M+H]+,45.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543395,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,343.19038,[M+H]+,60.0,test,COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3
543396,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543397,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543398,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,30.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543399,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543400,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543401,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543402,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,60.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543403,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,15.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543404,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543405,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543406,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543407,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,60.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543408,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,15.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543409,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543410,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543411,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543412,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,60.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543413,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,30.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543414,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,393.14742,[M+Cl]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543415,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543416,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543417,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,60.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543418,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,15.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543419,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543420,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,60.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543421,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,15.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543422,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,403.17623,[M+FA]-,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543423,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,341.17474,[M+H-H2O]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543424,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,341.17474,[M+H-H2O]+,60.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543425,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,341.17474,[M+H-H2O]+,30.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543426,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,341.17474,[M+H-H2O]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543427,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543428,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543429,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,60.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543430,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,15.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543431,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543432,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,60.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543433,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,15.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543434,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,359.1853,[M+H]+,20.0,test,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
543435,CC(=O)OCC12COC(c3cc4c(cc3)OCO4)C(C(C)=CC1C)C2C,323.16418,[M+H-2H2O]+,20.0,test,CC(=O)OCC12COC(c3ccc4c(c3)OCO4)C(C(C)=CC1C)C2C
543436,CC(=O)OCC12COC(c3cc4c(cc3)OCO4)C(C(C)=CC1C)C2C,323.16418,[M+H-2H2O]+,20.0,test,CC(=O)OCC12COC(c3ccc4c(c3)OCO4)C(C(C)=CC1C)C2C
543437,CC(=O)OCC12COC(c3cc4c(cc3)OCO4)C(C(C)=CC1C)C2C,323.16418,[M+H-2H2O]+,60.0,test,CC(=O)OCC12COC(c3ccc4c(c3)OCO4)C(C(C)=CC1C)C2C
543438,CC(=O)OCC12COC(c3cc4c(cc3)OCO4)C(C(C)=CC1C)C2C,323.16418,[M+H-2H2O]+,30.0,test,CC(=O)OCC12COC(c3ccc4c(c3)OCO4)C(C(C)=CC1C)C2C
543439,CC(=O)OCC12COC(c3cc4c(cc3)OCO4)C(C(C)=CC1C)C2C,323.16418,[M+H-2H2O]+,20.0,test,CC(=O)OCC12COC(c3ccc4c(c3)OCO4)C(C(C)=CC1C)C2C
543440,COc1c2cc(CCCCC(O)CCc3cc-2c(O)cc3)c(O)c1OC,357.17075,[M-H]-,20.0,test,COc1c2cc(c(O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
543441,COc1c2cc(CCCCC(O)CCc3cc-2c(O)cc3)c(O)c1OC,357.17075,[M-H]-,20.0,test,COc1c2cc(c(O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
543442,COc1c2cc(CCCCC(O)CCc3cc-2c(O)cc3)c(O)c1OC,357.17075,[M-H]-,60.0,test,COc1c2cc(c(O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
543443,COc1c2cc(CCCCC(O)CCc3cc-2c(O)cc3)c(O)c1OC,357.17075,[M-H]-,30.0,test,COc1c2cc(c(O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
543444,COc1c2cc(CCCCC(O)CCc3cc-2c(O)cc3)c(O)c1OC,357.17075,[M-H]-,20.0,test,COc1c2cc(c(O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
543445,COc1c(OC)c(O)c2cc1CCCCC(O)CCc1cc-2c(O)cc1,357.17075,[M-H]-,20.0,test,COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CCC(O)CCCC2
543446,COc1c(OC)c(O)c2cc1CCCCC(O)CCc1cc-2c(O)cc1,357.17075,[M-H]-,20.0,test,COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CCC(O)CCCC2
543447,COc1c(OC)c(O)c2cc1CCCCC(O)CCc1cc-2c(O)cc1,357.17075,[M-H]-,60.0,test,COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CCC(O)CCCC2
543448,COc1c(OC)c(O)c2cc1CCCCC(O)CCc1cc-2c(O)cc1,357.17075,[M-H]-,20.0,test,COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CCC(O)CCCC2
543449,COc1c(OC)c(O)c2cc1CCCCC(O)CCc1cc-2c(O)cc1,357.17075,[M-H]-,45.0,test,COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CCC(O)CCCC2
543450,COc1c(O)ccc(C2OC(c3cc(OC)c(OC)cc3)C(C)C2C)c1,341.17474,[M+H-H2O]+,20.0,test,COc1cc(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)ccc1O
543451,COc1c(O)ccc(C2OC(c3cc(OC)c(OC)cc3)C(C)C2C)c1,341.17474,[M+H-H2O]+,20.0,test,COc1cc(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)ccc1O
543452,COc1c(O)ccc(C2OC(c3cc(OC)c(OC)cc3)C(C)C2C)c1,341.17474,[M+H-H2O]+,60.0,test,COc1cc(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)ccc1O
543453,COc1c(O)ccc(C2OC(c3cc(OC)c(OC)cc3)C(C)C2C)c1,341.17474,[M+H-H2O]+,30.0,test,COc1cc(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)ccc1O
543454,COc1c(O)ccc(C2OC(c3cc(OC)c(OC)cc3)C(C)C2C)c1,341.17474,[M+H-H2O]+,20.0,test,COc1cc(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)ccc1O
543455,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,357.17075,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
543456,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,357.17075,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
543457,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,357.17075,[M-H]-,45.0,test,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
543458,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,357.17075,[M-H]-,60.0,test,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
543459,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,357.17075,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
543460,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,357.17075,[M-H]-,45.0,test,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
543461,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,357.17075,[M-H]-,60.0,test,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
543462,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,357.17075,[M-H]-,20.0,test,O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
543463,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,385.20453,[M-H]-,20.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543464,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,385.20453,[M-H]-,20.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543465,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,385.20453,[M-H]-,60.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543466,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,385.20453,[M-H]-,20.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543467,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,385.20453,[M-H]-,60.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543468,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,385.20453,[M-H]-,20.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543469,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,431.21001,[M+FA]-,20.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543470,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,431.21001,[M+FA]-,20.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543471,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,431.21001,[M+FA]-,60.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543472,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,431.21001,[M+FA]-,15.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543473,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,431.21001,[M+FA]-,20.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543474,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,387.21908,[M+H]+,20.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543475,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,387.21908,[M+H]+,20.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543476,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,387.21908,[M+H]+,60.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543477,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,387.21908,[M+H]+,30.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543478,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,387.21908,[M+H]+,20.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543479,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,387.21908,[M+H]+,60.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543480,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,387.21908,[M+H]+,30.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543481,Cc1nn(-c2ccc(F)cc2)c(NC(=O)CNC2CCCC23CCOCC3)c1,387.21908,[M+H]+,20.0,test,Cc1cc(NC(=O)CNC2CCCC23CCOCC3)n(-c2ccc(F)cc2)n1
543482,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,387.21908,[M+H]+,20.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543483,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,387.21908,[M+H]+,20.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543484,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,387.21908,[M+H]+,60.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543485,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,387.21908,[M+H]+,30.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543486,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,387.21908,[M+H]+,20.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543487,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,387.21908,[M+H]+,60.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543488,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,387.21908,[M+H]+,30.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543489,N#Cc1cc(F)c(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)nc1,387.21908,[M+H]+,20.0,test,N#Cc1cnc(N2CCC(C3(NC(=O)CCC4CCCO4)CC3)CC2)c(F)c1
543490,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,387.21908,[M+H]+,20.0,test,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
543491,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,387.21908,[M+H]+,20.0,test,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
543492,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,387.21908,[M+H]+,60.0,test,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
543493,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,387.21908,[M+H]+,30.0,test,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
543494,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,387.21908,[M+H]+,20.0,test,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
543495,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,387.21908,[M+H]+,60.0,test,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
543496,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,387.21908,[M+H]+,30.0,test,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
543497,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,387.21908,[M+H]+,20.0,test,O=C(NC1CCCCC1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
543498,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543499,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543500,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,60.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543501,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,15.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543502,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543503,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,400.18779,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543504,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,400.18779,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543505,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,400.18779,[M-H]-,45.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543506,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,400.18779,[M-H]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543507,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,400.18779,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543508,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,400.18779,[M-H]-,45.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543509,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,400.18779,[M-H]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543510,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,400.18779,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543511,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,436.16447,[M+Cl]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543512,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,436.16447,[M+Cl]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543513,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,436.16447,[M+Cl]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543514,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,436.16447,[M+Cl]-,15.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543515,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,436.16447,[M+Cl]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543516,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,446.19327,[M+FA]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543517,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,446.19327,[M+FA]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543518,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,446.19327,[M+FA]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543519,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,446.19327,[M+FA]-,30.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543520,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,446.19327,[M+FA]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543521,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543522,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543523,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,60.0,test,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543524,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,15.0,test,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543525,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543526,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,402.20235,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543527,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,402.20235,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543528,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,402.20235,[M+H]+,30.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543529,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,402.20235,[M+H]+,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543530,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,402.20235,[M+H]+,15.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543531,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,402.20235,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543532,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,402.20235,[M+H]+,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543533,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C,402.20235,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C(=O)NCc3ccco3)C2)c1C
543534,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543535,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543536,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,60.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543537,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,15.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543538,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543539,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,60.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543540,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C,402.20235,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)OC(C)(C)C
543541,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,426.21468,[M+FA]-,20.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543542,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,426.21468,[M+FA]-,60.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543543,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,426.21468,[M+FA]-,20.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543544,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,380.2092,[M-H]-,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543545,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,380.2092,[M-H]-,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543546,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,380.2092,[M-H]-,60.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543547,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,380.2092,[M-H]-,30.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543548,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,380.2092,[M-H]-,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543549,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,426.21468,[M+FA]-,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543550,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,426.21468,[M+FA]-,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543551,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,426.21468,[M+FA]-,60.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543552,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,426.21468,[M+FA]-,15.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543553,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,426.21468,[M+FA]-,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543554,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,426.21468,[M+FA]-,20.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543555,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,426.21468,[M+FA]-,20.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543556,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,426.21468,[M+FA]-,60.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543557,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,426.21468,[M+FA]-,15.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543558,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,426.21468,[M+FA]-,20.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543559,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,382.22375,[M+H]+,20.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543560,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,382.22375,[M+H]+,20.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543561,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,382.22375,[M+H]+,60.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543562,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,382.22375,[M+H]+,30.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543563,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,382.22375,[M+H]+,20.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543564,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,382.22375,[M+H]+,60.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543565,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,382.22375,[M+H]+,30.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543566,Cc1nnc2CN(C(=O)C3Cc4ccccc4CN3C(=O)CC(C)C)CCn12,382.22375,[M+H]+,20.0,test,Cc1nnc2n1CCN(C(=O)C1Cc3ccccc3CN1C(=O)CC(C)C)C2
543567,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,382.22375,[M+H]+,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543568,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,382.22375,[M+H]+,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543569,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,382.22375,[M+H]+,60.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543570,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,382.22375,[M+H]+,15.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543571,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1,382.22375,[M+H]+,20.0,test,CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1
543572,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,382.22375,[M+H]+,20.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543573,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,382.22375,[M+H]+,20.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543574,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,382.22375,[M+H]+,60.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543575,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,382.22375,[M+H]+,30.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543576,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,382.22375,[M+H]+,20.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543577,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,382.22375,[M+H]+,60.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543578,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,382.22375,[M+H]+,30.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543579,CN1CCN(c2ncc(CNC(=O)NC3c4ccccc4CC3O)cc2)CC1,382.22375,[M+H]+,20.0,test,CN1CCN(c2ccc(CNC(=O)NC3c4ccccc4CC3O)cn2)CC1
543580,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C,382.22375,[M+H]+,20.0,test,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C
543581,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C,382.22375,[M+H]+,20.0,test,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C
543582,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C,382.22375,[M+H]+,60.0,test,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C
543583,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C,382.22375,[M+H]+,15.0,test,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C
543584,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C,382.22375,[M+H]+,20.0,test,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C
543585,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C,382.22375,[M+H]+,60.0,test,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C
543586,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C,382.22375,[M+H]+,15.0,test,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C
543587,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C,382.22375,[M+H]+,20.0,test,CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1C(C)(C)C
543588,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,426.21468,[M+FA]-,20.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543589,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,426.21468,[M+FA]-,20.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543590,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,426.21468,[M+FA]-,60.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543591,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,426.21468,[M+FA]-,15.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543592,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,426.21468,[M+FA]-,20.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543593,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,382.22375,[M+H]+,20.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543594,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,382.22375,[M+H]+,20.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543595,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,382.22375,[M+H]+,60.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543596,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,382.22375,[M+H]+,30.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543597,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1,382.22375,[M+H]+,20.0,test,O=C(NC1CCCCC1)c1cn(CC2CC(=O)N(Cc3ccccc3)C2)nn1
543598,COc1cc2c(cc1)c(=O)n(CC1CCN(CCn3cc(C)cn3)CC1)cn2,382.22375,[M+H]+,20.0,test,COc1ccc2c(=O)n(CC3CCN(CCn4cc(C)cn4)CC3)cnc2c1
543599,COc1cc2c(cc1)c(=O)n(CC1CCN(CCn3cc(C)cn3)CC1)cn2,382.22375,[M+H]+,20.0,test,COc1ccc2c(=O)n(CC3CCN(CCn4cc(C)cn4)CC3)cnc2c1
543600,COc1cc2c(cc1)c(=O)n(CC1CCN(CCn3cc(C)cn3)CC1)cn2,382.22375,[M+H]+,60.0,test,COc1ccc2c(=O)n(CC3CCN(CCn4cc(C)cn4)CC3)cnc2c1
543601,COc1cc2c(cc1)c(=O)n(CC1CCN(CCn3cc(C)cn3)CC1)cn2,382.22375,[M+H]+,30.0,test,COc1ccc2c(=O)n(CC3CCN(CCn4cc(C)cn4)CC3)cnc2c1
543602,COc1cc2c(cc1)c(=O)n(CC1CCN(CCn3cc(C)cn3)CC1)cn2,382.22375,[M+H]+,20.0,test,COc1ccc2c(=O)n(CC3CCN(CCn4cc(C)cn4)CC3)cnc2c1
543603,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,442.20959,[M+FA]-,20.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543604,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,442.20959,[M+FA]-,20.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543605,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,442.20959,[M+FA]-,60.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543606,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,442.20959,[M+FA]-,15.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543607,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,442.20959,[M+FA]-,20.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543608,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,442.20959,[M+FA]-,60.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543609,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,442.20959,[M+FA]-,15.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543610,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,442.20959,[M+FA]-,20.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543611,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,442.20959,[M+FA]-,20.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543612,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,442.20959,[M+FA]-,20.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543613,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,442.20959,[M+FA]-,60.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543614,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,442.20959,[M+FA]-,15.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543615,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,442.20959,[M+FA]-,20.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543616,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,442.20959,[M+FA]-,60.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543617,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,442.20959,[M+FA]-,15.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543618,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,442.20959,[M+FA]-,20.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543619,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,396.20411,[M-H]-,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543620,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,396.20411,[M-H]-,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543621,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,396.20411,[M-H]-,60.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543622,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,396.20411,[M-H]-,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543623,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,396.20411,[M-H]-,60.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543624,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,442.20959,[M+FA]-,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543625,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,442.20959,[M+FA]-,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543626,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,442.20959,[M+FA]-,60.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543627,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,442.20959,[M+FA]-,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543628,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,398.21867,[M+H]+,30.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543629,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,398.21867,[M+H]+,30.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543630,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,398.21867,[M+H]+,20.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543631,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,398.21867,[M+H]+,60.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543632,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,398.21867,[M+H]+,30.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543633,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,398.21867,[M+H]+,20.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543634,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,398.21867,[M+H]+,60.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543635,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1,398.21867,[M+H]+,30.0,test,CC(CNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1nc(-c2ccccc2)no1
543636,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,398.21867,[M+H]+,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543637,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,398.21867,[M+H]+,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543638,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,398.21867,[M+H]+,60.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543639,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,398.21867,[M+H]+,15.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543640,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,398.21867,[M+H]+,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543641,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,398.21867,[M+H]+,45.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543642,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,398.21867,[M+H]+,60.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543643,CC1CN(c2ncc(NC(=O)c3cnc(N4CCOCC4)cc3)cc2)CC(C)O1,398.21867,[M+H]+,20.0,test,CC1CN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC(C)O1
543644,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,398.21867,[M+H]+,20.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543645,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,398.21867,[M+H]+,20.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543646,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,398.21867,[M+H]+,15.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543647,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,398.21867,[M+H]+,60.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543648,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,398.21867,[M+H]+,30.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543649,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,398.21867,[M+H]+,20.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543650,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,398.21867,[M+H]+,60.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543651,O=C(Nc1cn(CC2CCCO2)nc1)NC(CN1CCCC1=O)c1ccccc1,398.21867,[M+H]+,20.0,test,O=C(Nc1cnn(CC2CCCO2)c1)NC(CN1CCCC1=O)c1ccccc1
543652,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,30.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543653,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,30.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543654,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,20.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543655,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,60.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543656,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,30.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543657,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,20.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543658,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,20.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543659,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,60.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543660,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,30.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543661,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,20.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543662,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,30.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543663,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,30.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543664,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,20.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543665,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,60.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543666,COC1CCC(N2C(=O)CNc3ncc(-c4cnc(C(C)(C)O)cc4)nc32)CC1,398.21867,[M+H]+,30.0,test,COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
543667,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2c(c1=O)n(C(C)(C)C)nc2,398.21867,[M+H]+,20.0,test,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O
543668,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2c(c1=O)n(C(C)(C)C)nc2,398.21867,[M+H]+,20.0,test,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O
543669,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2c(c1=O)n(C(C)(C)C)nc2,398.21867,[M+H]+,60.0,test,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O
543670,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2c(c1=O)n(C(C)(C)C)nc2,398.21867,[M+H]+,15.0,test,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O
543671,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2c(c1=O)n(C(C)(C)C)nc2,398.21867,[M+H]+,20.0,test,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O
543672,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2c(c1=O)n(C(C)(C)C)nc2,398.21867,[M+H]+,60.0,test,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O
543673,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2c(c1=O)n(C(C)(C)C)nc2,398.21867,[M+H]+,15.0,test,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O
543674,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2c(c1=O)n(C(C)(C)C)nc2,398.21867,[M+H]+,20.0,test,COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O
543675,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,442.20959,[M+FA]-,15.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543676,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,442.20959,[M+FA]-,20.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543677,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,398.21867,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543678,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,398.21867,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543679,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,398.21867,[M+H]+,60.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543680,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,398.21867,[M+H]+,30.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543681,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,398.21867,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543682,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,398.21867,[M+H]+,60.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543683,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,398.21867,[M+H]+,30.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543684,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,398.21867,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543685,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,420.20061,[M+Na]+,20.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543686,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,420.20061,[M+Na]+,45.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543687,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,420.20061,[M+Na]+,20.0,test,COc1ccc(CNC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1
543688,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1,398.21867,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1
543689,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1,398.21867,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1
543690,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1,398.21867,[M+H]+,60.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1
543691,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1,398.21867,[M+H]+,30.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1
543692,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1,398.21867,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1
543693,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1,398.21867,[M+H]+,30.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1
543694,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1,398.21867,[M+H]+,60.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1
543695,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1,398.21867,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(=O)n(C(C)C)n2)C3)nc1
543696,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1,390.21875,[M+H]+,20.0,test,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1
543697,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1,390.21875,[M+H]+,20.0,test,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1
543698,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1,390.21875,[M+H]+,60.0,test,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1
543699,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1,390.21875,[M+H]+,30.0,test,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1
543700,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1,390.21875,[M+H]+,20.0,test,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1
543701,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1,390.21875,[M+H]+,60.0,test,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1
543702,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1,390.21875,[M+H]+,30.0,test,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1
543703,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1,390.21875,[M+H]+,20.0,test,O=C1CCc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(F)cc2N1
543704,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,400.21543,[M-H]-,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543705,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,400.21543,[M-H]-,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543706,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,400.21543,[M-H]-,60.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543707,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,400.21543,[M-H]-,30.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543708,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,400.21543,[M-H]-,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543709,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,446.22091,[M+FA]-,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543710,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,446.22091,[M+FA]-,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543711,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,446.22091,[M+FA]-,60.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543712,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,446.22091,[M+FA]-,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543713,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,402.22998,[M+H]+,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543714,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,402.22998,[M+H]+,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543715,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,402.22998,[M+H]+,60.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543716,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,402.22998,[M+H]+,30.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543717,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,402.22998,[M+H]+,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543718,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,402.22998,[M+H]+,30.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543719,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,402.22998,[M+H]+,20.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543720,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1,402.22998,[M+H]+,60.0,test,COc1cccc(NC(=O)N2CCCC(N(C)c3ncnc(C(C)C)c3F)C2)c1
543721,CN1CCC(O)(c2c(C(=O)c3c(C4(O)CCN(C)CC4)ccs3)scc2)CC1,421.16141,[M+H]+,20.0,test,CN1CCC(O)(c2ccsc2C(=O)c2sccc2C2(O)CCN(C)CC2)CC1
543722,CN1CCC(O)(c2c(C(=O)c3c(C4(O)CCN(C)CC4)ccs3)scc2)CC1,421.16141,[M+H]+,20.0,test,CN1CCC(O)(c2ccsc2C(=O)c2sccc2C2(O)CCN(C)CC2)CC1
543723,CN1CCC(O)(c2c(C(=O)c3c(C4(O)CCN(C)CC4)ccs3)scc2)CC1,421.16141,[M+H]+,60.0,test,CN1CCC(O)(c2ccsc2C(=O)c2sccc2C2(O)CCN(C)CC2)CC1
543724,CN1CCC(O)(c2c(C(=O)c3c(C4(O)CCN(C)CC4)ccs3)scc2)CC1,421.16141,[M+H]+,15.0,test,CN1CCC(O)(c2ccsc2C(=O)c2sccc2C2(O)CCN(C)CC2)CC1
543725,CN1CCC(O)(c2c(C(=O)c3c(C4(O)CCN(C)CC4)ccs3)scc2)CC1,421.16141,[M+H]+,20.0,test,CN1CCC(O)(c2ccsc2C(=O)c2sccc2C2(O)CCN(C)CC2)CC1
543726,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,403.1697,[M-H]-,20.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543727,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,403.1697,[M-H]-,20.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543728,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,403.1697,[M-H]-,60.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543729,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,403.1697,[M-H]-,20.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543730,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,403.1697,[M-H]-,45.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543731,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,405.18425,[M+H]+,20.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543732,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,405.18425,[M+H]+,20.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543733,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,405.18425,[M+H]+,60.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543734,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,405.18425,[M+H]+,30.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543735,CC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3c(C)oc(C)c3)CC2)ccc1,405.18425,[M+H]+,20.0,test,CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1
543736,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1,405.18425,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1
543737,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1,405.18425,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1
543738,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1,405.18425,[M+H]+,45.0,test,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1
543739,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1,405.18425,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1
543740,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1,405.18425,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1
543741,COc1c(OC)cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3)CC2)cc1,535.09811,[M+Cl]-,15.0,test,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
543742,COc1c(OC)cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3)CC2)cc1,535.09811,[M+Cl]-,15.0,test,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
543743,COc1c(OC)cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3)CC2)cc1,501.13598,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
543744,COc1c(OC)cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3)CC2)cc1,501.13598,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
543745,COc1c(OC)cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3)CC2)cc1,501.13598,[M+H]+,60.0,test,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
543746,COc1c(OC)cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3)CC2)cc1,501.13598,[M+H]+,30.0,test,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
543747,COc1c(OC)cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3)CC2)cc1,501.13598,[M+H]+,20.0,test,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
543748,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,447.15301,[M-H]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543749,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,447.15301,[M-H]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543750,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,447.15301,[M-H]-,60.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543751,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,447.15301,[M-H]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543752,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,447.15301,[M-H]-,60.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543753,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,447.15301,[M-H]-,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543754,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,449.16756,[M+H]+,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543755,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,449.16756,[M+H]+,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543756,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,449.16756,[M+H]+,60.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543757,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,449.16756,[M+H]+,15.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543758,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2,449.16756,[M+H]+,20.0,test,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2
543759,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,489.19256,[M+FA]-,20.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543760,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,489.19256,[M+FA]-,60.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543761,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,489.19256,[M+FA]-,20.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543762,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,445.20164,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543763,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,445.20164,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543764,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,445.20164,[M+H]+,60.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543765,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,445.20164,[M+H]+,30.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543766,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,445.20164,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543767,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,445.20164,[M+H]+,60.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543768,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,445.20164,[M+H]+,30.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543769,CCn1c(C2CCN(C(=O)c3c(C)nc(-n4cccc4)s3)CC2)nn(CCOC)c1=O,445.20164,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O
543770,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,503.14063,[M-H]-,20.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543771,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,503.14063,[M-H]-,20.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543772,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,503.14063,[M-H]-,60.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543773,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,503.14063,[M-H]-,30.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543774,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,503.14063,[M-H]-,20.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543775,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,503.14063,[M-H]-,60.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543776,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,503.14063,[M-H]-,30.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543777,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,503.14063,[M-H]-,20.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543778,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,522.18173,[M+NH4]+,20.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543779,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,522.18173,[M+NH4]+,20.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543780,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,522.18173,[M+NH4]+,60.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543781,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,522.18173,[M+NH4]+,15.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543782,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,522.18173,[M+NH4]+,20.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543783,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,522.18173,[M+NH4]+,60.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543784,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,522.18173,[M+NH4]+,15.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543785,Cc1c(C)c(C(=O)O)c2cc1OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O,522.18173,[M+NH4]+,20.0,test,Cc1c2cc(c(C(=O)O)c1C)OC1OC(C(O)C(O)C1O)C(O)C(O)C1OC(O2)C(O)C(O)C1O
543786,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,435.12888,[M-H]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543787,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,435.12888,[M-H]-,60.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543788,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,435.12888,[M-H]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543789,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,435.12888,[M-H]-,45.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543790,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,471.10556,[M+Cl]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543791,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,471.10556,[M+Cl]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543792,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,471.10556,[M+Cl]-,60.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543793,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,471.10556,[M+Cl]-,15.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543794,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,471.10556,[M+Cl]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543795,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,481.13436,[M+FA]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543796,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,481.13436,[M+FA]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543797,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,481.13436,[M+FA]-,60.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543798,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,481.13436,[M+FA]-,15.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543799,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,481.13436,[M+FA]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543800,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,481.13436,[M+FA]-,60.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543801,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,481.13436,[M+FA]-,15.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543802,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,481.13436,[M+FA]-,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543803,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,437.14343,[M+H]+,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543804,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,437.14343,[M+H]+,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543805,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,437.14343,[M+H]+,60.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543806,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,437.14343,[M+H]+,30.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543807,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O,437.14343,[M+H]+,20.0,test,CC(C)CN1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1=O
543808,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2,441.16093,[M+H]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2
543809,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2,441.16093,[M+H]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2
543810,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2,441.16093,[M+H]+,60.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2
543811,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2,441.16093,[M+H]+,30.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2
543812,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2,441.16093,[M+H]+,20.0,test,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2
543813,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,375.20895,[M-H]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543814,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,375.20895,[M-H]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543815,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,375.20895,[M-H]-,60.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543816,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,375.20895,[M-H]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543817,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,375.20895,[M-H]-,45.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543818,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,411.18562,[M+Cl]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543819,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,411.18562,[M+Cl]-,30.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543820,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,411.18562,[M+Cl]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543821,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,421.21442,[M+FA]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543822,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,421.21442,[M+FA]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543823,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,421.21442,[M+FA]-,60.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543824,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,421.21442,[M+FA]-,15.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543825,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,421.21442,[M+FA]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543826,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,421.21442,[M+FA]-,60.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543827,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,421.21442,[M+FA]-,15.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543828,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,421.21442,[M+FA]-,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543829,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,377.2235,[M+H]+,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543830,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,377.2235,[M+H]+,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543831,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,377.2235,[M+H]+,60.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543832,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,377.2235,[M+H]+,30.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543833,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1,377.2235,[M+H]+,20.0,test,CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCOCC2)CC1
543834,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,434.17552,[M-H]-,20.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543835,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,434.17552,[M-H]-,20.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543836,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,434.17552,[M-H]-,60.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543837,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,434.17552,[M-H]-,20.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543838,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,434.17552,[M-H]-,60.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543839,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,434.17552,[M-H]-,20.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543840,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543841,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543842,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543843,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,30.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543844,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543845,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,45.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543846,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543847,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,30.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543848,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,434.17552,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543849,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,470.15219,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543850,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,470.15219,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543851,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,470.15219,[M+Cl]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543852,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,470.15219,[M+Cl]-,15.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543853,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,470.15219,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543854,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,436.19007,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543855,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,436.19007,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543856,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,436.19007,[M+H]+,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543857,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,436.19007,[M+H]+,15.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543858,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1,436.19007,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1
543859,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,436.19007,[M+H]+,20.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543860,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,436.19007,[M+H]+,20.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543861,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,436.19007,[M+H]+,60.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543862,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,436.19007,[M+H]+,30.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543863,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,436.19007,[M+H]+,20.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543864,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,436.19007,[M+H]+,45.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543865,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,436.19007,[M+H]+,60.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543866,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2,436.19007,[M+H]+,20.0,test,Cc1cc2c(cc1S(=O)(=O)N1CCCC1C(=O)N1CCCCCC1)OC(C)C(=O)N2
543867,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1,368.24449,[M+H]+,20.0,test,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1
543868,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1,368.24449,[M+H]+,20.0,test,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1
543869,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1,368.24449,[M+H]+,60.0,test,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1
543870,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1,368.24449,[M+H]+,30.0,test,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1
543871,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1,368.24449,[M+H]+,20.0,test,CCc1ccc(-n2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2)cc1
543872,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,20.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543873,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,20.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543874,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,60.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543875,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,30.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543876,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,20.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543877,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,60.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543878,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,30.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543879,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,20.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543880,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,20.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543881,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,20.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543882,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,60.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543883,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,30.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543884,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,20.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543885,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,60.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543886,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,30.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543887,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,312.23219,[M+H]+,20.0,test,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
543888,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C,312.23219,[M+H]+,20.0,test,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C
543889,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C,312.23219,[M+H]+,20.0,test,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C
543890,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C,312.23219,[M+H]+,60.0,test,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C
543891,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C,312.23219,[M+H]+,20.0,test,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C
543892,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C,312.23219,[M+H]+,60.0,test,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C
543893,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C,312.23219,[M+H]+,20.0,test,CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C
543894,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,294.22163,[M+H-H2O]+,20.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543895,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,294.22163,[M+H-H2O]+,20.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543896,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,294.22163,[M+H-H2O]+,60.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543897,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,294.22163,[M+H-H2O]+,30.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543898,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,294.22163,[M+H-H2O]+,20.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543899,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,312.23219,[M+H]+,20.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543900,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,312.23219,[M+H]+,20.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543901,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,312.23219,[M+H]+,60.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543902,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,312.23219,[M+H]+,30.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543903,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,312.23219,[M+H]+,20.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543904,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,312.23219,[M+H]+,60.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543905,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,312.23219,[M+H]+,30.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543906,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1,312.23219,[M+H]+,20.0,test,CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1
543907,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2,391.20499,[M+H]+,20.0,test,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2
543908,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2,391.20499,[M+H]+,20.0,test,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2
543909,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2,391.20499,[M+H]+,60.0,test,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2
543910,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2,391.20499,[M+H]+,20.0,test,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2
543911,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2,391.20499,[M+H]+,45.0,test,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2
543912,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2,391.20499,[M+H]+,60.0,test,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2
543913,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2,391.20499,[M+H]+,20.0,test,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2
543914,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2,391.20499,[M+H]+,45.0,test,CC12CC(CN3CCOC4(CCS(=O)(=Nc5ccccc5)CC4)C3)(CO1)C2
543915,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1,391.20499,[M+H]+,20.0,test,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1
543916,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1,391.20499,[M+H]+,20.0,test,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1
543917,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1,391.20499,[M+H]+,60.0,test,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1
543918,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1,391.20499,[M+H]+,15.0,test,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1
543919,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1,391.20499,[M+H]+,20.0,test,COc1ccccc1C1C(C(=O)NC(C)C)SCC(=O)N1C1CCCCC1
543920,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C,391.20499,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C
543921,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C,391.20499,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C
543922,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C,391.20499,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C
543923,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C,391.20499,[M+H]+,30.0,test,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C
543924,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C,391.20499,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C
543925,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C,391.20499,[M+H]+,20.0,test,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C
543926,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C,391.20499,[M+H]+,60.0,test,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C
543927,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C,391.20499,[M+H]+,30.0,test,Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C
543928,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,437.15742,[M-H]-,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543929,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,437.15742,[M-H]-,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543930,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,437.15742,[M-H]-,60.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543931,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,437.15742,[M-H]-,30.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543932,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,437.15742,[M-H]-,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543933,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,483.1629,[M+FA]-,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543934,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,483.1629,[M+FA]-,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543935,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,483.1629,[M+FA]-,60.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543936,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,483.1629,[M+FA]-,15.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543937,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,483.1629,[M+FA]-,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543938,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,456.19852,[M+NH4]+,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543939,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,456.19852,[M+NH4]+,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543940,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,456.19852,[M+NH4]+,60.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543941,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,456.19852,[M+NH4]+,30.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543942,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,456.19852,[M+NH4]+,20.0,test,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
543943,O=C(NCc1nc2c(cc1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1,371.24415,[M+H]+,20.0,test,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
543944,O=C(NCc1nc2c(cc1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1,371.24415,[M+H]+,20.0,test,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
543945,O=C(NCc1nc2c(cc1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1,371.24415,[M+H]+,60.0,test,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
543946,O=C(NCc1nc2c(cc1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1,371.24415,[M+H]+,20.0,test,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
543947,O=C(NCc1nc2c(cc1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1,371.24415,[M+H]+,45.0,test,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
543948,O=C(NCc1nc2c(cc1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1,371.24415,[M+H]+,60.0,test,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
543949,O=C(NCc1nc2c(cc1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1,371.24415,[M+H]+,20.0,test,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
543950,O=C(NCc1nc2c(cc1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1,371.24415,[M+H]+,45.0,test,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
543951,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,371.24415,[M+H]+,20.0,test,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
543952,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,371.24415,[M+H]+,20.0,test,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
543953,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,371.24415,[M+H]+,60.0,test,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
543954,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,371.24415,[M+H]+,30.0,test,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
543955,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,371.24415,[M+H]+,20.0,test,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
543956,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,371.24415,[M+H]+,60.0,test,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
543957,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,371.24415,[M+H]+,30.0,test,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
543958,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1,371.24415,[M+H]+,20.0,test,COc1ccccc1N1CCC(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)CC1
543959,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1,371.24415,[M+H]+,20.0,test,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1
543960,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1,371.24415,[M+H]+,20.0,test,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1
543961,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1,371.24415,[M+H]+,60.0,test,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1
543962,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1,371.24415,[M+H]+,30.0,test,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1
543963,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1,371.24415,[M+H]+,20.0,test,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1
543964,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1,371.24415,[M+H]+,30.0,test,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1
543965,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1,371.24415,[M+H]+,60.0,test,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1
543966,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1,371.24415,[M+H]+,20.0,test,CCCOc1nn(CCC)cc1C(=O)N1CCN(Cc2ccccc2)CC1
543967,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,431.22999,[M+FA]-,20.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543968,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,431.22999,[M+FA]-,60.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543969,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,431.22999,[M+FA]-,15.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543970,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,431.22999,[M+FA]-,20.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543971,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,385.22451,[M-H]-,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543972,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,385.22451,[M-H]-,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543973,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,385.22451,[M-H]-,60.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543974,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,385.22451,[M-H]-,30.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543975,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,385.22451,[M-H]-,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543976,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,431.22999,[M+FA]-,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543977,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,431.22999,[M+FA]-,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543978,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,431.22999,[M+FA]-,60.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543979,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,431.22999,[M+FA]-,15.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543980,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,431.22999,[M+FA]-,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543981,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,387.23907,[M+H]+,20.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543982,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,387.23907,[M+H]+,20.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543983,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,387.23907,[M+H]+,60.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543984,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,387.23907,[M+H]+,30.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543985,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,387.23907,[M+H]+,20.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543986,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,387.23907,[M+H]+,60.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543987,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,387.23907,[M+H]+,30.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543988,Cc1c(C)oc(CN2CCC(CNC(=O)NCc3cc(CO)ccc3)CC2)n1,387.23907,[M+H]+,20.0,test,Cc1nc(CN2CCC(CNC(=O)NCc3cccc(CO)c3)CC2)oc1C
543989,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,387.23907,[M+H]+,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543990,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,387.23907,[M+H]+,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543991,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,387.23907,[M+H]+,60.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543992,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,387.23907,[M+H]+,30.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543993,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,387.23907,[M+H]+,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543994,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,387.23907,[M+H]+,60.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543995,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,387.23907,[M+H]+,30.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543996,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,387.23907,[M+H]+,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543997,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,409.22101,[M+Na]+,45.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543998,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,409.22101,[M+Na]+,45.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
543999,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,409.22101,[M+Na]+,20.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
544000,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,409.22101,[M+Na]+,60.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
544001,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O,409.22101,[M+Na]+,45.0,test,CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CCN1CCCC1=O
544002,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,433.1915,[M-H]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544003,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,433.1915,[M-H]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544004,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,433.1915,[M-H]-,45.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544005,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,433.1915,[M-H]-,60.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544006,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,433.1915,[M-H]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544007,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,433.1915,[M-H]-,60.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544008,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,433.1915,[M-H]-,45.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544009,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,433.1915,[M-H]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544010,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,469.16818,[M+Cl]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544011,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,469.16818,[M+Cl]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544012,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,469.16818,[M+Cl]-,60.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544013,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,469.16818,[M+Cl]-,15.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544014,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,469.16818,[M+Cl]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544015,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,479.19698,[M+FA]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544016,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,479.19698,[M+FA]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544017,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,479.19698,[M+FA]-,60.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544018,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,479.19698,[M+FA]-,30.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544019,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,479.19698,[M+FA]-,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544020,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,435.20605,[M+H]+,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544021,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,435.20605,[M+H]+,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544022,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,435.20605,[M+H]+,60.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544023,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,435.20605,[M+H]+,30.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544024,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,435.20605,[M+H]+,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544025,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,435.20605,[M+H]+,20.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544026,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,435.20605,[M+H]+,30.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544027,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1,435.20605,[M+H]+,60.0,test,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)o2)n[nH]1
544028,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,458.25213,[M+FA]-,20.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544029,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,458.25213,[M+FA]-,15.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544030,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,458.25213,[M+FA]-,15.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544031,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,458.25213,[M+FA]-,60.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544032,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,458.25213,[M+FA]-,20.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544033,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,414.2612,[M+H]+,20.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544034,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,414.2612,[M+H]+,20.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544035,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,414.2612,[M+H]+,60.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544036,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,414.2612,[M+H]+,15.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544037,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1,414.2612,[M+H]+,20.0,test,CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
544038,CC(Oc1cc(F)ccc1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1,378.25513,[M+H]+,20.0,test,CC(Oc1cccc(F)c1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1
544039,CC(Oc1cc(F)ccc1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1,378.25513,[M+H]+,20.0,test,CC(Oc1cccc(F)c1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1
544040,CC(Oc1cc(F)ccc1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1,378.25513,[M+H]+,60.0,test,CC(Oc1cccc(F)c1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1
544041,CC(Oc1cc(F)ccc1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1,378.25513,[M+H]+,20.0,test,CC(Oc1cccc(F)c1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1
544042,CC(Oc1cc(F)ccc1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1,378.25513,[M+H]+,45.0,test,CC(Oc1cccc(F)c1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1
544043,CC(Oc1cc(F)ccc1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1,378.25513,[M+H]+,60.0,test,CC(Oc1cccc(F)c1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1
544044,CC(Oc1cc(F)ccc1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1,378.25513,[M+H]+,20.0,test,CC(Oc1cccc(F)c1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1
544045,CC(Oc1cc(F)ccc1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1,378.25513,[M+H]+,45.0,test,CC(Oc1cccc(F)c1)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1
544046,CCC(=O)N1CCN(c2nc3c(CC(C(=O)N4CCC(C)CC4)CC3)s2)CC1,405.23187,[M+H]+,20.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544047,CCC(=O)N1CCN(c2nc3c(CC(C(=O)N4CCC(C)CC4)CC3)s2)CC1,405.23187,[M+H]+,20.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544048,CCC(=O)N1CCN(c2nc3c(CC(C(=O)N4CCC(C)CC4)CC3)s2)CC1,405.23187,[M+H]+,60.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544049,CCC(=O)N1CCN(c2nc3c(CC(C(=O)N4CCC(C)CC4)CC3)s2)CC1,405.23187,[M+H]+,20.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544050,CCC(=O)N1CCN(c2nc3c(CC(C(=O)N4CCC(C)CC4)CC3)s2)CC1,405.23187,[M+H]+,45.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544051,CCC(=O)N1CCN(c2nc3c(CC(C(=O)N4CCC(C)CC4)CC3)s2)CC1,405.23187,[M+H]+,60.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544052,CCC(=O)N1CCN(c2nc3c(CC(C(=O)N4CCC(C)CC4)CC3)s2)CC1,405.23187,[M+H]+,20.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544053,CCC(=O)N1CCN(c2nc3c(CC(C(=O)N4CCC(C)CC4)CC3)s2)CC1,405.23187,[M+H]+,45.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544054,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1,405.23187,[M+H]+,20.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544055,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1,405.23187,[M+H]+,20.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544056,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1,405.23187,[M+H]+,45.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544057,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1,405.23187,[M+H]+,60.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544058,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1,405.23187,[M+H]+,20.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544059,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1,405.23187,[M+H]+,45.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544060,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1,405.23187,[M+H]+,60.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544061,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1,405.23187,[M+H]+,20.0,test,CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCC(C)CC2)CC3)CC1
544062,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,383.25648,[M-H]-,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544063,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,383.25648,[M-H]-,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544064,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,383.25648,[M-H]-,60.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544065,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,383.25648,[M-H]-,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544066,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,383.25648,[M-H]-,45.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544067,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,383.25648,[M-H]-,60.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544068,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,383.25648,[M-H]-,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544069,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,383.25648,[M-H]-,45.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544070,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,419.23316,[M+Cl]-,15.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544071,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,419.23316,[M+Cl]-,15.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544072,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,419.23316,[M+Cl]-,60.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544073,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,419.23316,[M+Cl]-,15.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544074,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,429.26196,[M+FA]-,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544075,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,429.26196,[M+FA]-,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544076,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,429.26196,[M+FA]-,60.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544077,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,429.26196,[M+FA]-,15.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544078,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,429.26196,[M+FA]-,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544079,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,429.26196,[M+FA]-,20.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544080,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,429.26196,[M+FA]-,20.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544081,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,429.26196,[M+FA]-,60.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544082,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,429.26196,[M+FA]-,15.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544083,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,429.26196,[M+FA]-,20.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544084,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,385.27104,[M+H]+,20.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544085,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,385.27104,[M+H]+,20.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544086,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,385.27104,[M+H]+,60.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544087,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,385.27104,[M+H]+,20.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544088,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,385.27104,[M+H]+,45.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544089,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,385.27104,[M+H]+,60.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544090,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,385.27104,[M+H]+,20.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544091,CCc1cc(N2CCCC(Nc3nc(C(C)(C)C)nc(COC)c3)C2)ncn1,385.27104,[M+H]+,45.0,test,CCc1cc(N2CCCC(Nc3cc(COC)nc(C(C)(C)C)n3)C2)ncn1
544092,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,385.27104,[M+H]+,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544093,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,385.27104,[M+H]+,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544094,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,385.27104,[M+H]+,60.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544095,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,385.27104,[M+H]+,15.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544096,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,385.27104,[M+H]+,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544097,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,385.27104,[M+H]+,45.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544098,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,385.27104,[M+H]+,60.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544099,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1,385.27104,[M+H]+,20.0,test,CC(C)CN1CCCC(C(=O)NCC(Nc2ncnn3cccc23)C2CC2)C1
544100,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC,381.22717,[M+H]+,20.0,test,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC
544101,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC,381.22717,[M+H]+,20.0,test,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC
544102,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC,381.22717,[M+H]+,60.0,test,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC
544103,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC,381.22717,[M+H]+,15.0,test,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC
544104,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC,381.22717,[M+H]+,20.0,test,CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC
544105,CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12,415.18929,[M+Cl]-,15.0,test,CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12
544106,CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12,415.18929,[M+Cl]-,15.0,test,CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12
544107,CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12,415.18929,[M+Cl]-,20.0,test,CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12
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544253,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544254,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544255,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544256,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544257,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544258,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544259,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544260,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
544261,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
544262,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
544263,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
544264,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
544265,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
544266,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
544267,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
544268,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544269,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544270,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544271,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544272,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544273,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544274,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544275,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544276,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544277,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544278,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544279,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544280,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544281,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544282,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544283,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544284,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544285,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544286,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,60.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544287,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,20.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
544288,CCCCCCCCCCCCCCCC[n+]1ccccc1,304.29988,[M]+,45.0,test,CCCCCCCCCCCCCCCC[n+]1ccccc1
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544297,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,501.31436,[M+H]+,45.0,test,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
544298,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,501.31436,[M+H]+,45.0,test,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
544299,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,501.31436,[M+H]+,45.0,test,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
544300,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,501.31436,[M+H]+,20.0,test,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
544301,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,501.31436,[M+H]+,60.0,test,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
544302,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,366.11605,[M-H]-,20.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544303,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,366.11605,[M-H]-,20.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544304,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,366.11605,[M-H]-,60.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544305,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,366.11605,[M-H]-,20.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544306,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,366.11605,[M-H]-,60.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544307,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,368.1306,[M+H]+,20.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544308,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,368.1306,[M+H]+,20.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544309,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,368.1306,[M+H]+,60.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544310,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,368.1306,[M+H]+,20.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544311,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,368.1306,[M+H]+,75.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544312,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,368.1306,[M+H]+,60.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544313,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,368.1306,[M+H]+,20.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544314,Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(ccc(F)c2)[nH]1,368.1306,[M+H]+,75.0,test,Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
544315,Fc1ccccc1-c1nc(-c2cnccc2)ncc1-c1nnnn1-c1ccccc1,396.13675,[M+H]+,20.0,test,Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1
544316,Fc1ccccc1-c1nc(-c2cnccc2)ncc1-c1nnnn1-c1ccccc1,396.13675,[M+H]+,20.0,test,Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1
544317,Fc1ccccc1-c1nc(-c2cnccc2)ncc1-c1nnnn1-c1ccccc1,396.13675,[M+H]+,60.0,test,Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1
544318,Fc1ccccc1-c1nc(-c2cnccc2)ncc1-c1nnnn1-c1ccccc1,396.13675,[M+H]+,30.0,test,Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1
544319,Fc1ccccc1-c1nc(-c2cnccc2)ncc1-c1nnnn1-c1ccccc1,396.13675,[M+H]+,20.0,test,Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1
544320,Fc1ccccc1-c1nc(-c2cnccc2)ncc1-c1nnnn1-c1ccccc1,396.13675,[M+H]+,60.0,test,Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1
544321,Fc1ccccc1-c1nc(-c2cnccc2)ncc1-c1nnnn1-c1ccccc1,396.13675,[M+H]+,30.0,test,Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1
544322,Fc1ccccc1-c1nc(-c2cnccc2)ncc1-c1nnnn1-c1ccccc1,396.13675,[M+H]+,20.0,test,Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1
544323,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,385.083,[M-H]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544324,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,385.083,[M-H]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544325,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,385.083,[M-H]-,45.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544326,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,385.083,[M-H]-,60.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544327,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,385.083,[M-H]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544328,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,385.083,[M-H]-,45.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544329,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,385.083,[M-H]-,60.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544330,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,385.083,[M-H]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544331,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,421.05967,[M+Cl]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544332,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,421.05967,[M+Cl]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544333,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,421.05967,[M+Cl]-,60.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544334,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,421.05967,[M+Cl]-,15.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544335,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,421.05967,[M+Cl]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544336,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,431.08847,[M+FA]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544337,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,431.08847,[M+FA]-,20.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544338,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,431.08847,[M+FA]-,60.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544339,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,431.08847,[M+FA]-,15.0,test,O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
544340,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,408.06442,[M-H]-,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544341,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,408.06442,[M-H]-,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544342,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,408.06442,[M-H]-,45.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544343,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,408.06442,[M-H]-,60.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544344,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,408.06442,[M-H]-,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544345,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,408.06442,[M-H]-,45.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544346,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,408.06442,[M-H]-,60.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544347,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,408.06442,[M-H]-,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544348,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,444.0411,[M+Cl]-,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544349,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,444.0411,[M+Cl]-,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544350,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,444.0411,[M+Cl]-,60.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544351,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,410.07898,[M+H]+,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544352,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,410.07898,[M+H]+,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544353,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,410.07898,[M+H]+,60.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544354,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,410.07898,[M+H]+,30.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544355,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1,410.07898,[M+H]+,20.0,test,COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
544356,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,590.02452,[M+Cl]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544357,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,590.02452,[M+Cl]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544358,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,590.02452,[M+Cl]-,60.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544359,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,590.02452,[M+Cl]-,15.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544360,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,590.02452,[M+Cl]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544361,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544362,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544363,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,60.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544364,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,15.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544365,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544366,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,554.04784,[M-H]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544367,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,554.04784,[M-H]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544368,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,554.04784,[M-H]-,60.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544369,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,554.04784,[M-H]-,30.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544370,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,554.04784,[M-H]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544371,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,590.02452,[M+Cl]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544372,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,590.02452,[M+Cl]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544373,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544374,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544375,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,60.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544376,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,15.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544377,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544378,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,60.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544379,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,15.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544380,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,600.05332,[M+FA]-,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544381,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,556.06239,[M+H]+,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544382,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,556.06239,[M+H]+,60.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544383,Cc1c(C(=O)NCC(=O)NCC(F)(F)F)ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1,556.06239,[M+H]+,20.0,test,Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
544384,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544385,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544386,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544387,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,30.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544388,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544389,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,451.08464,[M+Cl]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544390,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,451.08464,[M+Cl]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544391,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,451.08464,[M+Cl]-,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544392,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,451.08464,[M+Cl]-,15.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544393,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,451.08464,[M+Cl]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544394,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,461.11344,[M+FA]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544395,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,461.11344,[M+FA]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544396,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,461.11344,[M+FA]-,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544397,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,461.11344,[M+FA]-,15.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544398,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,461.11344,[M+FA]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544399,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544400,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544401,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,60.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544402,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544403,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,45.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544404,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544405,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544406,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,60.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544407,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,30.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544408,C[C@@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544409,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544410,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544411,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544412,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,30.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544413,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544414,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544415,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,30.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544416,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544417,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544418,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544419,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544420,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,30.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544421,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544422,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,45.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544423,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544424,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,415.10796,[M-H]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544425,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,451.08464,[M+Cl]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544426,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,451.08464,[M+Cl]-,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544427,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,451.08464,[M+Cl]-,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544428,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544429,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544430,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544431,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,30.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544432,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544433,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,60.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544434,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,30.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544435,C[C@H](Nc1c2[nH]cnc2ncn1)c1cc2c(c(Cl)ccc2)c(=O)n1-c1ccccc1,417.12251,[M+H]+,20.0,test,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
544436,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,435.09326,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544437,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,435.09326,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544438,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,435.09326,[M-H]-,60.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544439,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,435.09326,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544440,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,435.09326,[M-H]-,45.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544441,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,435.09326,[M-H]-,60.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544442,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,435.09326,[M-H]-,20.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544443,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,435.09326,[M-H]-,45.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544444,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,437.10782,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544445,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,437.10782,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544446,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,437.10782,[M+H]+,60.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544447,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,437.10782,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544448,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,437.10782,[M+H]+,60.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544449,CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(F)cc1,437.10782,[M+H]+,20.0,test,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
544450,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,411.06726,[M-H]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544451,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,411.06726,[M-H]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544452,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,411.06726,[M-H]-,60.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544453,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,411.06726,[M-H]-,30.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544454,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,411.06726,[M-H]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544455,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,411.06726,[M-H]-,60.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544456,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,411.06726,[M-H]-,30.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544457,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,411.06726,[M-H]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544458,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,447.04393,[M+Cl]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544459,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,447.04393,[M+Cl]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544460,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,447.04393,[M+Cl]-,60.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544461,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,447.04393,[M+Cl]-,15.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544462,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,447.04393,[M+Cl]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544463,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,457.07274,[M+FA]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544464,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,457.07274,[M+FA]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544465,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,457.07274,[M+FA]-,60.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544466,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,457.07274,[M+FA]-,15.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544467,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,457.07274,[M+FA]-,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544468,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,413.08181,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544469,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,413.08181,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544470,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,413.08181,[M+H]+,60.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544471,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,413.08181,[M+H]+,15.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544472,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1,413.08181,[M+H]+,20.0,test,O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
544473,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,453.13798,[M+FA]-,15.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544474,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,453.13798,[M+FA]-,20.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544475,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,409.14706,[M+H]+,20.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544476,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,409.14706,[M+H]+,20.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544477,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,409.14706,[M+H]+,30.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544478,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,409.14706,[M+H]+,60.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544479,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,409.14706,[M+H]+,15.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544480,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,409.14706,[M+H]+,20.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544481,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,409.14706,[M+H]+,60.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544482,CN(Cc1cccc2ccccc12)C(=O)c1nn(-c2ccc(OC(F)F)cc2)cn1,409.14706,[M+H]+,20.0,test,CN(Cc1cccc2ccccc12)C(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1
544483,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,439.10458,[M-H]-,20.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544484,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,439.10458,[M-H]-,20.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544485,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,439.10458,[M-H]-,60.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544486,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,439.10458,[M-H]-,30.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544487,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,439.10458,[M-H]-,20.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544488,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,439.10458,[M-H]-,60.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544489,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,439.10458,[M-H]-,30.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544490,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,439.10458,[M-H]-,20.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544491,Cc1csc(NC(=O)c2cn(Cc3cc(F)ccc3)nc2OCc2cc(F)ccc2)n1,441.11913,[M+H]+,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544492,Cc1csc(NC(=O)c2cn(Cc3cc(F)ccc3)nc2OCc2cc(F)ccc2)n1,441.11913,[M+H]+,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544493,Cc1csc(NC(=O)c2cn(Cc3cc(F)ccc3)nc2OCc2cc(F)ccc2)n1,441.11913,[M+H]+,60.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544494,Cc1csc(NC(=O)c2cn(Cc3cc(F)ccc3)nc2OCc2cc(F)ccc2)n1,441.11913,[M+H]+,30.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544495,Cc1csc(NC(=O)c2cn(Cc3cc(F)ccc3)nc2OCc2cc(F)ccc2)n1,441.11913,[M+H]+,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544496,Cc1csc(NC(=O)c2cn(Cc3cc(F)ccc3)nc2OCc2cc(F)ccc2)n1,441.11913,[M+H]+,60.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544497,Cc1csc(NC(=O)c2cn(Cc3cc(F)ccc3)nc2OCc2cc(F)ccc2)n1,441.11913,[M+H]+,30.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544498,Cc1csc(NC(=O)c2cn(Cc3cc(F)ccc3)nc2OCc2cc(F)ccc2)n1,441.11913,[M+H]+,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544499,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,441.11913,[M+H]+,20.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544500,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,441.11913,[M+H]+,20.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544501,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,441.11913,[M+H]+,60.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544502,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,441.11913,[M+H]+,30.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544503,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,441.11913,[M+H]+,20.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544504,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,441.11913,[M+H]+,60.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544505,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,441.11913,[M+H]+,30.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544506,Cc1c(CCC(=O)Nc2ccccc2F)c(=O)n(-c2nc(-c3ccc(F)cc3)cs2)[nH]1,441.11913,[M+H]+,20.0,test,Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F
544507,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,439.10458,[M-H]-,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544508,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,439.10458,[M-H]-,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544509,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,439.10458,[M-H]-,45.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544510,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,439.10458,[M-H]-,60.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544511,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,439.10458,[M-H]-,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544512,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,441.11913,[M+H]+,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544513,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,441.11913,[M+H]+,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544514,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,441.11913,[M+H]+,60.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544515,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,441.11913,[M+H]+,30.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544516,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,441.11913,[M+H]+,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544517,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,441.11913,[M+H]+,60.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544518,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,441.11913,[M+H]+,30.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544519,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1,441.11913,[M+H]+,20.0,test,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1
544520,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,486.13946,[M+FA]-,20.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544521,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,486.13946,[M+FA]-,20.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544522,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,486.13946,[M+FA]-,60.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544523,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,486.13946,[M+FA]-,15.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544524,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,486.13946,[M+FA]-,20.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544525,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,486.13946,[M+FA]-,60.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544526,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,486.13946,[M+FA]-,20.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544527,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,486.13946,[M+FA]-,15.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544528,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,442.14853,[M+H]+,20.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544529,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,442.14853,[M+H]+,20.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544530,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,442.14853,[M+H]+,60.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544531,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,442.14853,[M+H]+,30.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544532,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,442.14853,[M+H]+,20.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544533,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,442.14853,[M+H]+,60.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544534,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,442.14853,[M+H]+,30.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544535,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F,442.14853,[M+H]+,20.0,test,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccccc1C(F)(F)F
544536,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,374.13103,[M-H]-,20.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544537,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,374.13103,[M-H]-,20.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544538,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,374.13103,[M-H]-,60.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544539,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,374.13103,[M-H]-,30.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544540,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,374.13103,[M-H]-,20.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544541,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,376.14558,[M+H]+,20.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544542,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,376.14558,[M+H]+,20.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544543,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,376.14558,[M+H]+,60.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544544,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,376.14558,[M+H]+,20.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544545,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,376.14558,[M+H]+,45.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544546,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,376.14558,[M+H]+,60.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544547,Cc1cc(F)c(Nc2c3ccc(OCc4ccccc4)cc3ncn2)cc1O,376.14558,[M+H]+,45.0,test,Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
544548,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1,376.14558,[M+H]+,20.0,test,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1
544549,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1,376.14558,[M+H]+,20.0,test,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1
544550,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1,376.14558,[M+H]+,45.0,test,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1
544551,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1,376.14558,[M+H]+,60.0,test,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1
544552,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1,376.14558,[M+H]+,20.0,test,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1
544553,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1,376.14558,[M+H]+,45.0,test,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1
544554,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1,376.14558,[M+H]+,60.0,test,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1
544555,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1,376.14558,[M+H]+,20.0,test,O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1
544556,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,406.1031,[M-H]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544557,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,406.1031,[M-H]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544558,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,406.1031,[M-H]-,45.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544559,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,406.1031,[M-H]-,60.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544560,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,406.1031,[M-H]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544561,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,406.1031,[M-H]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544562,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,406.1031,[M-H]-,45.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544563,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,406.1031,[M-H]-,60.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544564,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,442.07978,[M+Cl]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544565,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,442.07978,[M+Cl]-,15.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544566,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,452.10858,[M+FA]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544567,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,452.10858,[M+FA]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544568,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,452.10858,[M+FA]-,60.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544569,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,452.10858,[M+FA]-,15.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544570,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,452.10858,[M+FA]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544571,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,452.10858,[M+FA]-,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544572,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,452.10858,[M+FA]-,15.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544573,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,452.10858,[M+FA]-,60.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544574,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,408.11765,[M+H]+,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544575,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,408.11765,[M+H]+,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544576,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,408.11765,[M+H]+,60.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544577,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,408.11765,[M+H]+,30.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544578,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,408.11765,[M+H]+,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544579,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,408.11765,[M+H]+,60.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544580,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,408.11765,[M+H]+,30.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544581,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21,408.11765,[M+H]+,20.0,test,CCN1C(=O)c2cccnc2Sc2cc(C(=O)NCc3cccc(F)c3)ccc21
544582,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1,408.11765,[M+H]+,20.0,test,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1
544583,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1,408.11765,[M+H]+,20.0,test,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1
544584,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1,408.11765,[M+H]+,60.0,test,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1
544585,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1,408.11765,[M+H]+,30.0,test,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1
544586,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1,408.11765,[M+H]+,20.0,test,O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1
544587,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,357.10671,[M-H]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544588,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,357.10671,[M-H]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544589,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,357.10671,[M-H]-,60.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544590,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,357.10671,[M-H]-,30.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544591,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,357.10671,[M-H]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544592,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,357.10671,[M-H]-,60.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544593,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,357.10671,[M-H]-,30.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544594,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,357.10671,[M-H]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544595,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,359.12126,[M+H]+,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544596,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,359.12126,[M+H]+,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544597,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,359.12126,[M+H]+,60.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544598,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,359.12126,[M+H]+,30.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544599,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1,359.12126,[M+H]+,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
544600,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,357.10671,[M-H]-,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544601,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,357.10671,[M-H]-,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544602,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,357.10671,[M-H]-,60.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544603,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,357.10671,[M-H]-,30.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544604,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,357.10671,[M-H]-,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544605,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,393.08339,[M+Cl]-,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544606,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,403.11219,[M+FA]-,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544607,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,403.11219,[M+FA]-,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544608,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,403.11219,[M+FA]-,60.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544609,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,403.11219,[M+FA]-,15.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544610,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,403.11219,[M+FA]-,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544611,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,359.12126,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544612,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,359.12126,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544613,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,359.12126,[M+H]+,60.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544614,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,359.12126,[M+H]+,15.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544615,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,359.12126,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544616,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,359.12126,[M+H]+,45.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544617,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,359.12126,[M+H]+,60.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544618,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1,359.12126,[M+H]+,20.0,test,O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1
544619,CCn1c2ccccc2c2c1ccc(-n1nncc1-c1ccccc1)c2,339.16042,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21
544620,CCn1c2ccccc2c2c1ccc(-n1nncc1-c1ccccc1)c2,339.16042,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21
544621,CCn1c2ccccc2c2c1ccc(-n1nncc1-c1ccccc1)c2,339.16042,[M+H]+,60.0,test,CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21
544622,CCn1c2ccccc2c2c1ccc(-n1nncc1-c1ccccc1)c2,339.16042,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21
544623,CCn1c2ccccc2c2c1ccc(-n1nncc1-c1ccccc1)c2,339.16042,[M+H]+,45.0,test,CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21
544624,CCn1c2ccccc2c2c1ccc(-n1nncc1-c1ccccc1)c2,339.16042,[M+H]+,60.0,test,CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21
544625,CCn1c2ccccc2c2c1ccc(-n1nncc1-c1ccccc1)c2,339.16042,[M+H]+,20.0,test,CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21
544626,CN(C)c1ccc(NC(=O)c2cc(N3C(=O)c4c(nccc4)C3=O)ccc2)cc1,385.13061,[M-H]-,20.0,test,CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)c4cccnc4C3=O)c2)cc1
544627,CN(C)c1ccc(NC(=O)c2cc(N3C(=O)c4c(nccc4)C3=O)ccc2)cc1,385.13061,[M-H]-,20.0,test,CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)c4cccnc4C3=O)c2)cc1
544628,CN(C)c1ccc(NC(=O)c2cc(N3C(=O)c4c(nccc4)C3=O)ccc2)cc1,385.13061,[M-H]-,60.0,test,CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)c4cccnc4C3=O)c2)cc1
544629,CN(C)c1ccc(NC(=O)c2cc(N3C(=O)c4c(nccc4)C3=O)ccc2)cc1,385.13061,[M-H]-,20.0,test,CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)c4cccnc4C3=O)c2)cc1
544630,CN(C)c1ccc(NC(=O)c2cc(N3C(=O)c4c(nccc4)C3=O)ccc2)cc1,385.13061,[M-H]-,45.0,test,CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)c4cccnc4C3=O)c2)cc1
544631,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,448.12898,[M-H]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544632,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,448.12898,[M-H]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544633,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,448.12898,[M-H]-,60.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544634,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,448.12898,[M-H]-,30.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544635,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,448.12898,[M-H]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544636,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,448.12898,[M-H]-,60.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544637,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,448.12898,[M-H]-,30.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544638,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,448.12898,[M-H]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544639,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,484.10566,[M+Cl]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544640,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,484.10566,[M+Cl]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544641,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,484.10566,[M+Cl]-,60.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544642,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,484.10566,[M+Cl]-,15.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544643,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,484.10566,[M+Cl]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544644,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,494.13446,[M+FA]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544645,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,494.13446,[M+FA]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544646,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,494.13446,[M+FA]-,60.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544647,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,494.13446,[M+FA]-,15.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544648,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,494.13446,[M+FA]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544649,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,494.13446,[M+FA]-,60.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544650,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,494.13446,[M+FA]-,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544651,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,494.13446,[M+FA]-,15.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544652,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,450.14353,[M+H]+,30.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544653,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,450.14353,[M+H]+,30.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544654,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,450.14353,[M+H]+,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544655,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,450.14353,[M+H]+,60.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544656,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,450.14353,[M+H]+,30.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544657,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,450.14353,[M+H]+,20.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544658,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,450.14353,[M+H]+,60.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544659,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1,450.14353,[M+H]+,30.0,test,COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)n2)cc1
544660,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544661,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544662,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,60.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544663,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544664,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,45.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544665,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544666,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544667,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,60.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544668,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,30.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544669,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544670,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,45.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544671,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,45.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544672,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544673,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,60.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544674,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,389.14193,[M-H]-,45.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544675,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544676,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544677,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,60.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544678,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,30.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544679,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544680,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,60.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544681,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,30.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544682,Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)ccc(F)c1,391.15648,[M+H]+,20.0,test,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
544683,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,389.14193,[M-H]-,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544684,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,389.14193,[M-H]-,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544685,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,389.14193,[M-H]-,60.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544686,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,389.14193,[M-H]-,30.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544687,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,389.14193,[M-H]-,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544688,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,435.14741,[M+FA]-,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544689,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,435.14741,[M+FA]-,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544690,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,435.14741,[M+FA]-,60.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544691,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,435.14741,[M+FA]-,15.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544692,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,435.14741,[M+FA]-,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544693,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,435.14741,[M+FA]-,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544694,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,435.14741,[M+FA]-,15.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544695,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,435.14741,[M+FA]-,60.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544696,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,391.15648,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544697,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,391.15648,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544698,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,391.15648,[M+H]+,60.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544699,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,391.15648,[M+H]+,15.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544700,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12,391.15648,[M+H]+,20.0,test,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12
544701,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1,391.15648,[M+H]+,20.0,test,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1
544702,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1,391.15648,[M+H]+,20.0,test,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1
544703,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1,391.15648,[M+H]+,45.0,test,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1
544704,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1,391.15648,[M+H]+,60.0,test,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1
544705,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1,391.15648,[M+H]+,20.0,test,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1
544706,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1,391.15648,[M+H]+,45.0,test,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1
544707,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1,391.15648,[M+H]+,60.0,test,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1
544708,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1,391.15648,[M+H]+,20.0,test,Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1
544709,Cc1ccccc1-c1cccc(COc2cc(F)c(OCC(=O)O)cc2)c1,365.11946,[M-H]-,20.0,test,Cc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1
544710,Cc1ccccc1-c1cccc(COc2cc(F)c(OCC(=O)O)cc2)c1,365.11946,[M-H]-,20.0,test,Cc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1
544711,Cc1ccccc1-c1cccc(COc2cc(F)c(OCC(=O)O)cc2)c1,365.11946,[M-H]-,60.0,test,Cc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1
544712,Cc1ccccc1-c1cccc(COc2cc(F)c(OCC(=O)O)cc2)c1,365.11946,[M-H]-,15.0,test,Cc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1
544713,Cc1ccccc1-c1cccc(COc2cc(F)c(OCC(=O)O)cc2)c1,365.11946,[M-H]-,20.0,test,Cc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1
544714,O=C(CSc1nc2c(c(-c3cccs3)cs2)c(=O)n1-c1ccccc1)N1CCCC1,454.07122,[M+H]+,20.0,test,O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)N1CCCC1
544715,O=C(CSc1nc2c(c(-c3cccs3)cs2)c(=O)n1-c1ccccc1)N1CCCC1,454.07122,[M+H]+,20.0,test,O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)N1CCCC1
544716,O=C(CSc1nc2c(c(-c3cccs3)cs2)c(=O)n1-c1ccccc1)N1CCCC1,454.07122,[M+H]+,60.0,test,O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)N1CCCC1
544717,O=C(CSc1nc2c(c(-c3cccs3)cs2)c(=O)n1-c1ccccc1)N1CCCC1,454.07122,[M+H]+,15.0,test,O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)N1CCCC1
544718,O=C(CSc1nc2c(c(-c3cccs3)cs2)c(=O)n1-c1ccccc1)N1CCCC1,454.07122,[M+H]+,20.0,test,O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)N1CCCC1
544719,O=C(CSc1nc2c(c(-c3cccs3)cs2)c(=O)n1-c1ccccc1)N1CCCC1,454.07122,[M+H]+,60.0,test,O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)N1CCCC1
544720,O=C(CSc1nc2c(c(-c3cccs3)cs2)c(=O)n1-c1ccccc1)N1CCCC1,454.07122,[M+H]+,15.0,test,O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)N1CCCC1
544721,O=C(CSc1nc2c(c(-c3cccs3)cs2)c(=O)n1-c1ccccc1)N1CCCC1,454.07122,[M+H]+,20.0,test,O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)N1CCCC1
544722,COc1cccc(NCC(O)Cn2c3c(cc(Br)cc3)c3c2ccc(Br)c3)c1,502.99643,[M+H]+,30.0,test,COc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
544723,COc1cccc(NCC(O)Cn2c3c(cc(Br)cc3)c3c2ccc(Br)c3)c1,502.99643,[M+H]+,30.0,test,COc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
544724,COc1cccc(NCC(O)Cn2c3c(cc(Br)cc3)c3c2ccc(Br)c3)c1,502.99643,[M+H]+,20.0,test,COc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
544725,COc1cccc(NCC(O)Cn2c3c(cc(Br)cc3)c3c2ccc(Br)c3)c1,502.99643,[M+H]+,60.0,test,COc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
544726,COc1cccc(NCC(O)Cn2c3c(cc(Br)cc3)c3c2ccc(Br)c3)c1,502.99643,[M+H]+,30.0,test,COc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
544727,CCCn1c(-c2ccc(Br)cc2)nc2c1nc(NCc1ccc(F)cc1)cc2,439.09281,[M+H]+,20.0,test,CCCn1c(-c2ccc(Br)cc2)nc2ccc(NCc3ccc(F)cc3)nc21
544728,CCCn1c(-c2ccc(Br)cc2)nc2c1nc(NCc1ccc(F)cc1)cc2,439.09281,[M+H]+,20.0,test,CCCn1c(-c2ccc(Br)cc2)nc2ccc(NCc3ccc(F)cc3)nc21
544729,CCCn1c(-c2ccc(Br)cc2)nc2c1nc(NCc1ccc(F)cc1)cc2,439.09281,[M+H]+,60.0,test,CCCn1c(-c2ccc(Br)cc2)nc2ccc(NCc3ccc(F)cc3)nc21
544730,CCCn1c(-c2ccc(Br)cc2)nc2c1nc(NCc1ccc(F)cc1)cc2,439.09281,[M+H]+,20.0,test,CCCn1c(-c2ccc(Br)cc2)nc2ccc(NCc3ccc(F)cc3)nc21
544731,CCCn1c(-c2ccc(Br)cc2)nc2c1nc(NCc1ccc(F)cc1)cc2,439.09281,[M+H]+,45.0,test,CCCn1c(-c2ccc(Br)cc2)nc2ccc(NCc3ccc(F)cc3)nc21
544732,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cc(F)ccc3)cn2)C1,455.08773,[M+H]+,20.0,test,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1
544733,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cc(F)ccc3)cn2)C1,455.08773,[M+H]+,20.0,test,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1
544734,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cc(F)ccc3)cn2)C1,455.08773,[M+H]+,60.0,test,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1
544735,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cc(F)ccc3)cn2)C1,455.08773,[M+H]+,30.0,test,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1
544736,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cc(F)ccc3)cn2)C1,455.08773,[M+H]+,20.0,test,O=C(Nc1ccc(Br)cc1)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1
544737,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,441.11352,[M-H]-,20.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544738,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,441.11352,[M-H]-,20.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544739,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,441.11352,[M-H]-,60.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544740,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,441.11352,[M-H]-,20.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544741,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,441.11352,[M-H]-,45.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544742,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,441.11352,[M-H]-,60.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544743,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,441.11352,[M-H]-,20.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544744,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,441.11352,[M-H]-,45.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544745,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,443.12807,[M+H]+,20.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544746,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,443.12807,[M+H]+,20.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544747,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,443.12807,[M+H]+,60.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544748,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,443.12807,[M+H]+,30.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544749,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,443.12807,[M+H]+,20.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544750,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,443.12807,[M+H]+,60.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544751,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,443.12807,[M+H]+,30.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544752,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1,443.12807,[M+H]+,20.0,test,O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1
544753,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,487.119,[M+FA]-,15.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544754,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,487.119,[M+FA]-,15.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544755,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,487.119,[M+FA]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544756,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,487.119,[M+FA]-,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544757,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,487.119,[M+FA]-,15.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544758,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,443.12807,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544759,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,443.12807,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544760,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,443.12807,[M+H]+,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544761,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,443.12807,[M+H]+,30.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544762,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,443.12807,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544763,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,443.12807,[M+H]+,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544764,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,443.12807,[M+H]+,30.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544765,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,443.12807,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
544766,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,473.08559,[M-H]-,20.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544767,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,473.08559,[M-H]-,20.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544768,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,473.08559,[M-H]-,60.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544769,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,473.08559,[M-H]-,20.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544770,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,473.08559,[M-H]-,45.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544771,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,475.10014,[M+H]+,20.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544772,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,475.10014,[M+H]+,20.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544773,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,475.10014,[M+H]+,60.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544774,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,475.10014,[M+H]+,30.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544775,O=C(Cn1nc2CSCc2c1NC(=O)COc1ccc(Cl)cc1)NCc1ccc(F)cc1,475.10014,[M+H]+,20.0,test,O=C(Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2)NCc1ccc(F)cc1
544776,O=C(c1ccc(-n2nnc3c2nccc3)cc1)N(c1c(Cl)cccn1)[C@@H]1CCCNC1,434.14906,[M+H]+,20.0,test,O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
544777,O=C(c1ccc(-n2nnc3c2nccc3)cc1)N(c1c(Cl)cccn1)[C@@H]1CCCNC1,434.14906,[M+H]+,20.0,test,O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
544778,O=C(c1ccc(-n2nnc3c2nccc3)cc1)N(c1c(Cl)cccn1)[C@@H]1CCCNC1,434.14906,[M+H]+,60.0,test,O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
544779,O=C(c1ccc(-n2nnc3c2nccc3)cc1)N(c1c(Cl)cccn1)[C@@H]1CCCNC1,434.14906,[M+H]+,30.0,test,O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
544780,O=C(c1ccc(-n2nnc3c2nccc3)cc1)N(c1c(Cl)cccn1)[C@@H]1CCCNC1,434.14906,[M+H]+,20.0,test,O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
544781,O=C(c1ccc(-n2nnc3c2nccc3)cc1)N(c1c(Cl)cccn1)[C@@H]1CCCNC1,434.14906,[M+H]+,60.0,test,O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
544782,O=C(c1ccc(-n2nnc3c2nccc3)cc1)N(c1c(Cl)cccn1)[C@@H]1CCCNC1,434.14906,[M+H]+,30.0,test,O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
544783,O=C(c1ccc(-n2nnc3c2nccc3)cc1)N(c1c(Cl)cccn1)[C@@H]1CCCNC1,434.14906,[M+H]+,20.0,test,O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
544784,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,412.09572,[M-H]-,20.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544785,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,412.09572,[M-H]-,20.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544786,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,412.09572,[M-H]-,45.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544787,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,412.09572,[M-H]-,60.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544788,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,412.09572,[M-H]-,20.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544789,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,412.09572,[M-H]-,45.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544790,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,412.09572,[M-H]-,60.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544791,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,412.09572,[M-H]-,20.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544792,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,414.11028,[M+H]+,20.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544793,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,414.11028,[M+H]+,20.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544794,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,414.11028,[M+H]+,60.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544795,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,414.11028,[M+H]+,30.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544796,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1,414.11028,[M+H]+,20.0,test,O=C1C(=O)N(CC2CCCO2)C(c2ccc(O)cc2)C1=C(O)c1ccc(Cl)cc1
544797,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544798,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544799,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,60.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544800,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,15.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544801,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544802,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,445.12483,[M+Cl]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544803,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,445.12483,[M+Cl]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544804,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,445.12483,[M+Cl]-,15.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544805,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,455.15363,[M+FA]-,20.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544806,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,455.15363,[M+FA]-,20.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544807,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,455.15363,[M+FA]-,60.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544808,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,455.15363,[M+FA]-,15.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544809,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,455.15363,[M+FA]-,20.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544810,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,411.16271,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544811,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,411.16271,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544812,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,411.16271,[M+H]+,60.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544813,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,411.16271,[M+H]+,15.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544814,Cc1c(F)ccc(CNC(=O)c2cc(C(=O)NCc3cc(C)c(F)cc3)ncn2)c1,411.16271,[M+H]+,20.0,test,Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F
544815,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544816,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544817,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,60.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544818,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,15.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544819,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544820,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,60.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544821,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,15.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544822,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544823,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544824,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544825,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,60.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544826,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,15.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544827,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544828,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,60.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544829,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,15.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544830,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,409.14816,[M-H]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544831,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,445.12483,[M+Cl]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544832,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,445.12483,[M+Cl]-,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544833,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,445.12483,[M+Cl]-,60.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544834,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,445.12483,[M+Cl]-,15.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544835,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544836,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544837,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,15.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544838,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,60.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544839,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,30.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544840,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544841,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,60.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544842,Cc1ncc(OC[C@@]2(c3cc(F)ccc3)C[C@H]2C(=O)Nc2ncc(F)cc2)c(C)n1,411.16271,[M+H]+,20.0,test,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
544843,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,490.11662,[M-H]-,20.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544844,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,490.11662,[M-H]-,20.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544845,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,490.11662,[M-H]-,60.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544846,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,490.11662,[M-H]-,20.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544847,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,490.11662,[M-H]-,45.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544848,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,490.11662,[M-H]-,60.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544849,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,490.11662,[M-H]-,20.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544850,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,490.11662,[M-H]-,45.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544851,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,492.13117,[M+H]+,20.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544852,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,492.13117,[M+H]+,20.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544853,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,492.13117,[M+H]+,60.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544854,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,492.13117,[M+H]+,20.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544855,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,492.13117,[M+H]+,60.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544856,CS(=O)(=O)c1cccc(CNc2nc(Nc3cc4c(cc3)NC(=O)CC4)ncc2C(F)(F)F)c1,492.13117,[M+H]+,20.0,test,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
544857,COc1c(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2ccs3)ncc1C,426.12822,[M+H]+,20.0,test,COc1c(C)cnc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C
544858,COc1c(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2ccs3)ncc1C,426.12822,[M+H]+,20.0,test,COc1c(C)cnc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C
544859,COc1c(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2ccs3)ncc1C,426.12822,[M+H]+,60.0,test,COc1c(C)cnc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C
544860,COc1c(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2ccs3)ncc1C,426.12822,[M+H]+,20.0,test,COc1c(C)cnc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C
544861,COc1c(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2ccs3)ncc1C,426.12822,[M+H]+,45.0,test,COc1c(C)cnc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C
544862,COc1c(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2ccs3)ncc1C,426.12822,[M+H]+,60.0,test,COc1c(C)cnc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C
544863,COc1c(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2ccs3)ncc1C,426.12822,[M+H]+,20.0,test,COc1c(C)cnc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C
544864,COc1c(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2ccs3)ncc1C,426.12822,[M+H]+,45.0,test,COc1c(C)cnc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C
544865,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,367.16767,[M-H]-,45.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544866,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,367.16767,[M-H]-,45.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544867,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,413.17315,[M+FA]-,20.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544868,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,413.17315,[M+FA]-,20.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544869,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,413.17315,[M+FA]-,60.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544870,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,413.17315,[M+FA]-,15.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544871,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,413.17315,[M+FA]-,20.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544872,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,369.18222,[M+H]+,20.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544873,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,369.18222,[M+H]+,20.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544874,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,369.18222,[M+H]+,60.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544875,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,369.18222,[M+H]+,20.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544876,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,369.18222,[M+H]+,60.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544877,Cc1cc2c(ccc(Nc3nc(Nc4cc5c(cc4)[nH]c(C)c5)ncc3)c2)[nH]1,369.18222,[M+H]+,20.0,test,Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
544878,COc1c(O)cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1,475.0882,[M-H]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1O
544879,COc1c(O)cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1,475.0882,[M-H]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1O
544880,COc1c(O)cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1,475.0882,[M-H]-,60.0,test,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1O
544881,COc1c(O)cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1,475.0882,[M-H]-,30.0,test,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1O
544882,COc1c(O)cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1,475.0882,[M-H]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1O
544883,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,475.0882,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544884,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,475.0882,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544885,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,475.0882,[M-H]-,60.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544886,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,475.0882,[M-H]-,30.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544887,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,475.0882,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544888,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,475.0882,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544889,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,475.0882,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544890,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,475.0882,[M-H]-,15.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544891,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,475.0882,[M-H]-,60.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544892,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,475.0882,[M-H]-,30.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544893,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,475.0882,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544894,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,475.0882,[M-H]-,60.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544895,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,475.0882,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544896,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,477.10275,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544897,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,477.10275,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544898,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,477.10275,[M+H]+,60.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544899,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,477.10275,[M+H]+,30.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544900,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,477.10275,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
544901,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,477.10275,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544902,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,477.10275,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544903,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,477.10275,[M+H]+,60.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544904,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,477.10275,[M+H]+,30.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544905,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,477.10275,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544906,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,477.10275,[M+H]+,60.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544907,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,477.10275,[M+H]+,30.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544908,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O,477.10275,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
544909,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,475.0882,[M-H]-,20.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544910,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,475.0882,[M-H]-,20.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544911,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,475.0882,[M-H]-,45.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544912,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,475.0882,[M-H]-,60.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544913,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,475.0882,[M-H]-,20.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544914,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,477.10275,[M+H]+,20.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544915,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,477.10275,[M+H]+,20.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544916,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,477.10275,[M+H]+,60.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544917,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,477.10275,[M+H]+,30.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544918,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,477.10275,[M+H]+,20.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544919,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,477.10275,[M+H]+,20.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544920,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,477.10275,[M+H]+,60.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544921,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,477.10275,[M+H]+,30.0,test,COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
544922,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1,333.14852,[M+H]+,30.0,test,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1
544923,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1,333.14852,[M+H]+,30.0,test,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1
544924,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1,333.14852,[M+H]+,60.0,test,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1
544925,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1,333.14852,[M+H]+,20.0,test,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1
544926,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1,333.14852,[M+H]+,30.0,test,COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1
544927,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12,425.08592,[M+H]+,20.0,test,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12
544928,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12,425.08592,[M+H]+,60.0,test,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12
544929,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12,425.08592,[M+H]+,20.0,test,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12
544930,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12,425.08592,[M+H]+,20.0,test,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12
544931,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544932,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544933,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,60.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544934,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,15.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544935,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544936,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544937,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544938,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,60.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544939,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,15.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544940,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544941,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544942,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544943,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,60.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544944,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,15.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544945,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,462.09819,[M+H]+,20.0,test,O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
544946,COc1c(OC)cc2c(c1)CC(C)(C)n1c-2cc2nc3ccccc3nc21,360.17065,[M+H]+,20.0,test,COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2
544947,COc1c(OC)cc2c(c1)CC(C)(C)n1c-2cc2nc3ccccc3nc21,360.17065,[M+H]+,20.0,test,COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2
544948,COc1c(OC)cc2c(c1)CC(C)(C)n1c-2cc2nc3ccccc3nc21,360.17065,[M+H]+,60.0,test,COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2
544949,COc1c(OC)cc2c(c1)CC(C)(C)n1c-2cc2nc3ccccc3nc21,360.17065,[M+H]+,20.0,test,COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2
544950,COc1c(OC)cc2c(c1)CC(C)(C)n1c-2cc2nc3ccccc3nc21,360.17065,[M+H]+,60.0,test,COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2
544951,COc1c(OC)cc2c(c1)CC(C)(C)n1c-2cc2nc3ccccc3nc21,360.17065,[M+H]+,20.0,test,COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2
544952,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21,358.1561,[M-H]-,20.0,test,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21
544953,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21,358.1561,[M-H]-,20.0,test,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21
544954,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21,358.1561,[M-H]-,30.0,test,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21
544955,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2,360.17065,[M+H]+,20.0,test,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2
544956,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2,360.17065,[M+H]+,20.0,test,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2
544957,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2,360.17065,[M+H]+,60.0,test,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2
544958,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2,360.17065,[M+H]+,30.0,test,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2
544959,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2,360.17065,[M+H]+,20.0,test,Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccco3)c1)C2
544960,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21,360.17065,[M+H]+,20.0,test,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21
544961,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21,360.17065,[M+H]+,20.0,test,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21
544962,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21,360.17065,[M+H]+,60.0,test,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21
544963,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21,360.17065,[M+H]+,30.0,test,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21
544964,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21,360.17065,[M+H]+,20.0,test,CC(C)n1ccc2c(NC(=O)c3cn(C)c(=O)c4ccccc34)cccc21
544965,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1,360.17065,[M+H]+,20.0,test,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
544966,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1,360.17065,[M+H]+,20.0,test,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
544967,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1,360.17065,[M+H]+,60.0,test,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
544968,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1,360.17065,[M+H]+,30.0,test,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
544969,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1,360.17065,[M+H]+,20.0,test,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
544970,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1,360.17065,[M+H]+,60.0,test,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
544971,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1,360.17065,[M+H]+,30.0,test,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
544972,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1,360.17065,[M+H]+,20.0,test,Cc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
544973,CCc1c(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2)n(C)cn1,372.18189,[M+H]+,20.0,test,CCc1ncn(C)c1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
544974,CCc1c(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2)n(C)cn1,372.18189,[M+H]+,20.0,test,CCc1ncn(C)c1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
544975,CCc1c(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2)n(C)cn1,372.18189,[M+H]+,60.0,test,CCc1ncn(C)c1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
544976,CCc1c(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2)n(C)cn1,372.18189,[M+H]+,20.0,test,CCc1ncn(C)c1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
544977,CCc1c(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2)n(C)cn1,372.18189,[M+H]+,45.0,test,CCc1ncn(C)c1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
544978,CCc1c(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2)n(C)cn1,372.18189,[M+H]+,60.0,test,CCc1ncn(C)c1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
544979,CCc1c(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2)n(C)cn1,372.18189,[M+H]+,45.0,test,CCc1ncn(C)c1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
544980,Nc1c2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCC3)c2ncn1,372.18189,[M+H]+,20.0,test,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1
544981,Nc1c2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCC3)c2ncn1,372.18189,[M+H]+,20.0,test,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1
544982,Nc1c2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCC3)c2ncn1,372.18189,[M+H]+,60.0,test,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1
544983,Nc1c2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCC3)c2ncn1,372.18189,[M+H]+,20.0,test,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1
544984,Nc1c2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCC3)c2ncn1,372.18189,[M+H]+,45.0,test,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1
544985,Nc1c2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCC3)c2ncn1,372.18189,[M+H]+,60.0,test,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1
544986,Nc1c2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCC3)c2ncn1,372.18189,[M+H]+,20.0,test,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1
544987,Nc1c2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCC3)c2ncn1,372.18189,[M+H]+,45.0,test,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1
544988,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,370.16733,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544989,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,370.16733,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544990,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,370.16733,[M-H]-,60.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544991,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,370.16733,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544992,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,370.16733,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544993,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,370.16733,[M-H]-,60.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544994,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,372.18189,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544995,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,372.18189,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544996,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,372.18189,[M+H]+,60.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544997,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,372.18189,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544998,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,372.18189,[M+H]+,60.0,test,CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
544999,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,426.17963,[M-H]-,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545000,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,426.17963,[M-H]-,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545001,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,426.17963,[M-H]-,60.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545002,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,426.17963,[M-H]-,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545003,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,426.17963,[M-H]-,60.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545004,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,472.18511,[M+FA]-,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545005,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,472.18511,[M+FA]-,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545006,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,472.18511,[M+FA]-,60.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545007,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,472.18511,[M+FA]-,15.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545008,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,472.18511,[M+FA]-,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545009,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,428.19418,[M+H]+,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545010,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,428.19418,[M+H]+,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545011,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,428.19418,[M+H]+,60.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545012,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,428.19418,[M+H]+,30.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545013,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,428.19418,[M+H]+,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545014,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,428.19418,[M+H]+,60.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545015,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,428.19418,[M+H]+,30.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545016,O=C(c1cn(-c2ncnc(Nc3ccccc3)c2)cn1)N1CCN(c2ncccn2)CC1,428.19418,[M+H]+,20.0,test,O=C(c1cn(-c2cc(Nc3ccccc3)ncn2)cn1)N1CCN(c2ncccn2)CC1
545017,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,442.17455,[M-H]-,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545018,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,442.17455,[M-H]-,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545019,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,442.17455,[M-H]-,60.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545020,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,442.17455,[M-H]-,30.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545021,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,442.17455,[M-H]-,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545022,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,442.17455,[M-H]-,60.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545023,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,442.17455,[M-H]-,30.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545024,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,442.17455,[M-H]-,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545025,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,478.15122,[M+Cl]-,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545026,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,478.15122,[M+Cl]-,60.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545027,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,478.15122,[M+Cl]-,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545028,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,478.15122,[M+Cl]-,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545029,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,444.1891,[M+H]+,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545030,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,444.1891,[M+H]+,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545031,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,444.1891,[M+H]+,60.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545032,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,444.1891,[M+H]+,30.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545033,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1,444.1891,[M+H]+,20.0,test,O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
545034,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,20.0,test,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545035,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,20.0,test,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545036,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,60.0,test,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545037,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,30.0,test,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545038,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,20.0,test,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545039,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,60.0,test,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545040,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,20.0,test,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545041,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,30.0,test,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545042,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,20.0,test,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545043,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,20.0,test,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545044,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,45.0,test,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545045,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,60.0,test,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545046,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,20.0,test,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545047,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,60.0,test,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545048,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,45.0,test,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545049,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1,316.16959,[M+H]+,20.0,test,CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
545050,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,410.12453,[M-H]-,20.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545051,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,410.12453,[M-H]-,20.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545052,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,410.12453,[M-H]-,60.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545053,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,410.12453,[M-H]-,30.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545054,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,410.12453,[M-H]-,20.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545055,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,410.12453,[M-H]-,60.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545056,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,410.12453,[M-H]-,30.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545057,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,410.12453,[M-H]-,20.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545058,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,412.13908,[M+H]+,20.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545059,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,412.13908,[M+H]+,20.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545060,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,412.13908,[M+H]+,60.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545061,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,412.13908,[M+H]+,15.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545062,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1,412.13908,[M+H]+,20.0,test,Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1
545063,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(COc2ccccc2)occ1,412.13908,[M+H]+,20.0,test,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1COc1ccccc1
545064,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(COc2ccccc2)occ1,412.13908,[M+H]+,20.0,test,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1COc1ccccc1
545065,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(COc2ccccc2)occ1,412.13908,[M+H]+,15.0,test,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1COc1ccccc1
545066,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(COc2ccccc2)occ1,412.13908,[M+H]+,60.0,test,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1COc1ccccc1
545067,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(COc2ccccc2)occ1,412.13908,[M+H]+,20.0,test,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1COc1ccccc1
545068,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,410.12453,[M-H]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545069,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,410.12453,[M-H]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545070,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,410.12453,[M-H]-,60.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545071,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,410.12453,[M-H]-,30.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545072,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,410.12453,[M-H]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545073,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,410.12453,[M-H]-,30.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545074,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,410.12453,[M-H]-,60.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545075,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,410.12453,[M-H]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545076,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,446.1012,[M+Cl]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545077,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,446.1012,[M+Cl]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545078,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,446.1012,[M+Cl]-,60.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545079,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,446.1012,[M+Cl]-,15.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545080,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,446.1012,[M+Cl]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545081,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,456.13,[M+FA]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545082,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,456.13,[M+FA]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545083,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,456.13,[M+FA]-,60.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545084,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,456.13,[M+FA]-,30.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545085,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,456.13,[M+FA]-,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545086,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,412.13908,[M+H]+,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545087,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,412.13908,[M+H]+,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545088,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,412.13908,[M+H]+,60.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545089,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,412.13908,[M+H]+,15.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545090,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,412.13908,[M+H]+,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545091,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,412.13908,[M+H]+,20.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545092,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC,412.13908,[M+H]+,60.0,test,COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
545093,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,487.05419,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545094,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,487.05419,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545095,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,487.05419,[M-H]-,60.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545096,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,487.05419,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545097,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,487.05419,[M-H]-,45.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545098,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,533.05967,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545099,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,533.05967,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545100,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,533.05967,[M+FA]-,60.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545101,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,533.05967,[M+FA]-,15.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545102,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,533.05967,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545103,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,489.06874,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545104,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,489.06874,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545105,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,489.06874,[M+H]+,60.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545106,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,489.06874,[M+H]+,30.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545107,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl,489.06874,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)NCc1ccccc1Cl
545108,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1,412.14225,[M+H]+,30.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1
545109,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1,412.14225,[M+H]+,30.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1
545110,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1,412.14225,[M+H]+,20.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1
545111,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1,412.14225,[M+H]+,60.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1
545112,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1,412.14225,[M+H]+,30.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1
545113,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1,412.14225,[M+H]+,20.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1
545114,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1,412.14225,[M+H]+,60.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1
545115,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1,412.14225,[M+H]+,30.0,test,Cc1cccc(-c2noc(C3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1
545116,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1,412.14225,[M+H]+,20.0,test,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
545117,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1,412.14225,[M+H]+,20.0,test,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
545118,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1,412.14225,[M+H]+,60.0,test,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
545119,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1,412.14225,[M+H]+,30.0,test,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
545120,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1,412.14225,[M+H]+,20.0,test,COc1ccccc1CCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
545121,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21,430.18492,[M+H]+,20.0,test,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21
545122,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21,430.18492,[M+H]+,20.0,test,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21
545123,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21,430.18492,[M+H]+,60.0,test,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21
545124,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21,430.18492,[M+H]+,30.0,test,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21
545125,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21,430.18492,[M+H]+,20.0,test,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21
545126,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21,430.18492,[M+H]+,60.0,test,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21
545127,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21,430.18492,[M+H]+,30.0,test,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21
545128,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21,430.18492,[M+H]+,20.0,test,Cn1cc(CC(=O)N2CC3CN(c4nccc(C(F)(F)F)n4)CC3C2)c2ccccc21
545129,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,378.16233,[M-H]-,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545130,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,378.16233,[M-H]-,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545131,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,378.16233,[M-H]-,60.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545132,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,378.16233,[M-H]-,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545133,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,378.16233,[M-H]-,45.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545134,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,378.16233,[M-H]-,60.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545135,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,378.16233,[M-H]-,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545136,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,378.16233,[M-H]-,45.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545137,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,424.16781,[M+FA]-,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545138,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,424.16781,[M+FA]-,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545139,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,424.16781,[M+FA]-,60.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545140,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,424.16781,[M+FA]-,15.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545141,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,424.16781,[M+FA]-,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545142,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,378.16233,[M-H]-,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545143,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,378.16233,[M-H]-,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545144,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,378.16233,[M-H]-,60.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545145,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,378.16233,[M-H]-,30.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545146,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,378.16233,[M-H]-,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545147,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,424.16781,[M+FA]-,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545148,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,424.16781,[M+FA]-,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545149,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,424.16781,[M+FA]-,60.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545150,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,424.16781,[M+FA]-,15.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545151,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,424.16781,[M+FA]-,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545152,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545153,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545154,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,380.17688,[M+H]+,60.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545155,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,380.17688,[M+H]+,30.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545156,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCCC1c1ccc(F)cc1
545157,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,380.17688,[M+H]+,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545158,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,380.17688,[M+H]+,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545159,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,380.17688,[M+H]+,60.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545160,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,380.17688,[M+H]+,30.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545161,O=C(CCCc1cc2c(cc1)[nH]c(=O)[nH]2)N1CC2(CCC2)c2c1cccc2F,380.17688,[M+H]+,20.0,test,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
545162,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545163,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545164,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,60.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545165,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,30.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545166,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545167,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,60.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545168,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,30.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545169,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545170,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,378.16233,[M-H]-,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545171,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,378.16233,[M-H]-,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545172,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,378.16233,[M-H]-,60.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545173,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,378.16233,[M-H]-,45.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545174,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545175,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545176,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,60.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545177,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,30.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545178,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545179,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,60.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545180,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,30.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545181,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,380.17688,[M+H]+,20.0,test,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
545182,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,378.16233,[M-H]-,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545183,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,378.16233,[M-H]-,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545184,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,378.16233,[M-H]-,60.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545185,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,378.16233,[M-H]-,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545186,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,378.16233,[M-H]-,45.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545187,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,424.16781,[M+FA]-,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545188,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,424.16781,[M+FA]-,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545189,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,424.16781,[M+FA]-,60.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545190,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,424.16781,[M+FA]-,15.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545191,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,424.16781,[M+FA]-,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545192,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,380.17688,[M+H]+,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545193,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,380.17688,[M+H]+,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545194,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,380.17688,[M+H]+,60.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545195,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,380.17688,[M+H]+,15.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545196,COCCn1cc(C(=O)NCCc2c[nH]c3c2cc(F)cc3)c2ccccc21,380.17688,[M+H]+,20.0,test,COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
545197,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1,460.12356,[M+FA]-,15.0,test,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1
545198,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1,460.12356,[M+FA]-,20.0,test,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1
545199,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1,460.12356,[M+FA]-,60.0,test,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1
545200,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1,416.13263,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1
545201,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1,416.13263,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1
545202,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1,416.13263,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1
545203,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1,416.13263,[M+H]+,15.0,test,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1
545204,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1,416.13263,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N(CC(O)COc2ccccc2)c2ccc(F)cc2)cc1
545205,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,425.09991,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545206,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,425.09991,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545207,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,425.09991,[M-H]-,60.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545208,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,425.09991,[M-H]-,30.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545209,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,425.09991,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545210,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,425.09991,[M-H]-,60.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545211,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,425.09991,[M-H]-,30.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545212,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,425.09991,[M-H]-,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545213,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,471.10539,[M+FA]-,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545214,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,471.10539,[M+FA]-,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545215,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,471.10539,[M+FA]-,60.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545216,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,471.10539,[M+FA]-,15.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545217,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,471.10539,[M+FA]-,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545218,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,427.11446,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545219,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,427.11446,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545220,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,427.11446,[M+H]+,60.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545221,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,427.11446,[M+H]+,30.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545222,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1,427.11446,[M+H]+,20.0,test,NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
545223,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,493.09877,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545224,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,493.09877,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545225,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,493.09877,[M-H]-,60.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545226,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,493.09877,[M-H]-,30.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545227,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,493.09877,[M-H]-,20.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545228,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,495.11332,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545229,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,495.11332,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545230,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,495.11332,[M+H]+,60.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545231,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,495.11332,[M+H]+,20.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545232,COc1c2oc(-c3cc(O)c(O)cc3)c(O)c(=O)c2c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,495.11332,[M+H]+,45.0,test,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
545233,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1,443.09648,[M+H]+,20.0,test,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1
545234,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1,443.09648,[M+H]+,20.0,test,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1
545235,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1,443.09648,[M+H]+,60.0,test,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1
545236,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1,443.09648,[M+H]+,20.0,test,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1
545237,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1,443.09648,[M+H]+,45.0,test,O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1
545238,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,491.12937,[M+FA]-,20.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545239,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,491.12937,[M+FA]-,20.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545240,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,491.12937,[M+FA]-,60.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545241,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,491.12937,[M+FA]-,15.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545242,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,491.12937,[M+FA]-,20.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545243,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,491.12937,[M+FA]-,60.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545244,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,491.12937,[M+FA]-,15.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545245,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,491.12937,[M+FA]-,20.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545246,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,447.13845,[M+H]+,20.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545247,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,447.13845,[M+H]+,20.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545248,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,447.13845,[M+H]+,60.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545249,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,447.13845,[M+H]+,30.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545250,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,447.13845,[M+H]+,20.0,test,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
545251,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,451.18994,[M+FA]-,60.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545252,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,451.18994,[M+FA]-,15.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545253,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,451.18994,[M+FA]-,20.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545254,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,407.19901,[M+H]+,20.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545255,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,407.19901,[M+H]+,20.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545256,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,407.19901,[M+H]+,45.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545257,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,407.19901,[M+H]+,60.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545258,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,407.19901,[M+H]+,20.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545259,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,407.19901,[M+H]+,20.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545260,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1,407.19901,[M+H]+,60.0,test,Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1
545261,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545262,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545263,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,60.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545264,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,15.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545265,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545266,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545267,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545268,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,60.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545269,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,15.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545270,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545271,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545272,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545273,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,60.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545274,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,15.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545275,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545276,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,60.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545277,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,15.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545278,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,428.09957,[M-H]-,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545279,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545280,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545281,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,60.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545282,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,15.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545283,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545284,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,60.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545285,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,15.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545286,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,430.11413,[M+H]+,20.0,test,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
545287,CN1Cc2c(ccc(Cl)c2)-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1,410.17421,[M+H]+,20.0,test,CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1
545288,CN1Cc2c(ccc(Cl)c2)-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1,410.17421,[M+H]+,20.0,test,CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1
545289,CN1Cc2c(ccc(Cl)c2)-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1,410.17421,[M+H]+,60.0,test,CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1
545290,CN1Cc2c(ccc(Cl)c2)-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1,410.17421,[M+H]+,15.0,test,CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1
545291,CN1Cc2c(ccc(Cl)c2)-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1,410.17421,[M+H]+,20.0,test,CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(Oc3ccccn3)CC2)C1
545292,Clc1ccccc1CN1CCCN(c2c(-c3nc(C4CC4)no3)cccn2)CC1,410.17421,[M+H]+,20.0,test,Clc1ccccc1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
545293,Clc1ccccc1CN1CCCN(c2c(-c3nc(C4CC4)no3)cccn2)CC1,410.17421,[M+H]+,20.0,test,Clc1ccccc1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
545294,Clc1ccccc1CN1CCCN(c2c(-c3nc(C4CC4)no3)cccn2)CC1,410.17421,[M+H]+,60.0,test,Clc1ccccc1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
545295,Clc1ccccc1CN1CCCN(c2c(-c3nc(C4CC4)no3)cccn2)CC1,410.17421,[M+H]+,20.0,test,Clc1ccccc1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
545296,Clc1ccccc1CN1CCCN(c2c(-c3nc(C4CC4)no3)cccn2)CC1,410.17421,[M+H]+,45.0,test,Clc1ccccc1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
545297,Clc1ccccc1CN1CCCN(c2c(-c3nc(C4CC4)no3)cccn2)CC1,410.17421,[M+H]+,60.0,test,Clc1ccccc1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
545298,Clc1ccccc1CN1CCCN(c2c(-c3nc(C4CC4)no3)cccn2)CC1,410.17421,[M+H]+,20.0,test,Clc1ccccc1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
545299,Clc1ccccc1CN1CCCN(c2c(-c3nc(C4CC4)no3)cccn2)CC1,410.17421,[M+H]+,45.0,test,Clc1ccccc1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
545300,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,470.14638,[M+Cl]-,20.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545301,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,470.14638,[M+Cl]-,15.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545302,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,480.17518,[M+FA]-,20.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545303,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,480.17518,[M+FA]-,60.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545304,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,480.17518,[M+FA]-,15.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545305,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,480.17518,[M+FA]-,20.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545306,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,480.17518,[M+FA]-,60.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545307,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,480.17518,[M+FA]-,15.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545308,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,480.17518,[M+FA]-,20.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545309,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,436.18425,[M+H]+,20.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545310,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,436.18425,[M+H]+,20.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545311,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,436.18425,[M+H]+,60.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545312,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,436.18425,[M+H]+,20.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545313,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,436.18425,[M+H]+,60.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545314,Cc1cc(-c2cc3c(cc2)nc(C2CCOCC2)n3CCOC(F)(F)F)cn(C)c1=O,436.18425,[M+H]+,20.0,test,Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
545315,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,396.17289,[M-H]-,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545316,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,396.17289,[M-H]-,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545317,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,396.17289,[M-H]-,60.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545318,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,396.17289,[M-H]-,30.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545319,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,396.17289,[M-H]-,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545320,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,442.17837,[M+FA]-,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545321,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,442.17837,[M+FA]-,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545322,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,442.17837,[M+FA]-,60.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545323,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,442.17837,[M+FA]-,15.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545324,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,442.17837,[M+FA]-,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545325,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,442.17837,[M+FA]-,60.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545326,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,442.17837,[M+FA]-,15.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545327,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,442.17837,[M+FA]-,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545328,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,398.18745,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545329,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,398.18745,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545330,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,398.18745,[M+H]+,60.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545331,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,398.18745,[M+H]+,30.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545332,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,398.18745,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545333,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,398.18745,[M+H]+,60.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545334,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,398.18745,[M+H]+,30.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545335,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1,398.18745,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)C2NCCOc3ccccc32)CC1)c1ccc(F)cc1
545336,Cc1nc(C2CCN(C(=O)c3c4ncccc4cc(F)c3)CC2)c2CNCCn12,394.20376,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)c2n1CCNC2
545337,Cc1nc(C2CCN(C(=O)c3c4ncccc4cc(F)c3)CC2)c2CNCCn12,394.20376,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)c2n1CCNC2
545338,Cc1nc(C2CCN(C(=O)c3c4ncccc4cc(F)c3)CC2)c2CNCCn12,394.20376,[M+H]+,60.0,test,Cc1nc(C2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)c2n1CCNC2
545339,Cc1nc(C2CCN(C(=O)c3c4ncccc4cc(F)c3)CC2)c2CNCCn12,394.20376,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)c2n1CCNC2
545340,Cc1nc(C2CCN(C(=O)c3c4ncccc4cc(F)c3)CC2)c2CNCCn12,394.20376,[M+H]+,45.0,test,Cc1nc(C2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)c2n1CCNC2
545341,Cc1nc(C2CCN(C(=O)c3c4ncccc4cc(F)c3)CC2)c2CNCCn12,394.20376,[M+H]+,60.0,test,Cc1nc(C2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)c2n1CCNC2
545342,Cc1nc(C2CCN(C(=O)c3c4ncccc4cc(F)c3)CC2)c2CNCCn12,394.20376,[M+H]+,20.0,test,Cc1nc(C2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)c2n1CCNC2
545343,Cc1nc(C2CCN(C(=O)c3c4ncccc4cc(F)c3)CC2)c2CNCCn12,394.20376,[M+H]+,45.0,test,Cc1nc(C2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)c2n1CCNC2
545344,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,440.17396,[M-H]-,20.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545345,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,440.17396,[M-H]-,20.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545346,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,440.17396,[M-H]-,60.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545347,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,440.17396,[M-H]-,30.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545348,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,440.17396,[M-H]-,20.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545349,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,440.17396,[M-H]-,20.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545350,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,440.17396,[M-H]-,20.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545351,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,440.17396,[M-H]-,60.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545352,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,440.17396,[M-H]-,20.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545353,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,440.17396,[M-H]-,45.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545354,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,442.18851,[M+H]+,20.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545355,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,442.18851,[M+H]+,20.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545356,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,442.18851,[M+H]+,60.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545357,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,442.18851,[M+H]+,30.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545358,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,442.18851,[M+H]+,20.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545359,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,442.18851,[M+H]+,60.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545360,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,442.18851,[M+H]+,30.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545361,Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)c2F)[nH]1,442.18851,[M+H]+,20.0,test,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
545362,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,442.18851,[M+H]+,20.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545363,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,442.18851,[M+H]+,20.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545364,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,442.18851,[M+H]+,60.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545365,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,442.18851,[M+H]+,15.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545366,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,442.18851,[M+H]+,20.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545367,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,442.18851,[M+H]+,60.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545368,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,442.18851,[M+H]+,15.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545369,COc1cc(OC)cc(N2CCN(C(=O)Nc3c(OC)nc4ccc(F)cc4n3)CC2)c1,442.18851,[M+H]+,20.0,test,COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
545370,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,411.1384,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545371,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,411.1384,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545372,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,411.1384,[M-H]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545373,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,411.1384,[M-H]-,30.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545374,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,411.1384,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545375,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,413.15295,[M+H]+,30.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545376,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,413.15295,[M+H]+,30.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545377,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,413.15295,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545378,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,413.15295,[M+H]+,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545379,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C,413.15295,[M+H]+,30.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C
545380,COc1cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)cc(OC)c1,413.15295,[M+H]+,20.0,test,COc1cc(OC)cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)c1
545381,COc1cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)cc(OC)c1,413.15295,[M+H]+,20.0,test,COc1cc(OC)cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)c1
545382,COc1cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)cc(OC)c1,413.15295,[M+H]+,60.0,test,COc1cc(OC)cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)c1
545383,COc1cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)cc(OC)c1,413.15295,[M+H]+,30.0,test,COc1cc(OC)cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)c1
545384,COc1cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)cc(OC)c1,413.15295,[M+H]+,20.0,test,COc1cc(OC)cc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)c1
545385,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,411.1384,[M-H]-,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545386,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,411.1384,[M-H]-,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545387,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,411.1384,[M-H]-,60.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545388,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,411.1384,[M-H]-,30.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545389,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,411.1384,[M-H]-,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545390,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,411.1384,[M-H]-,60.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545391,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,411.1384,[M-H]-,30.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545392,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,411.1384,[M-H]-,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545393,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,411.1384,[M-H]-,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545394,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,411.1384,[M-H]-,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545395,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,411.1384,[M-H]-,60.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545396,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,411.1384,[M-H]-,30.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545397,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,411.1384,[M-H]-,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545398,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,411.1384,[M-H]-,60.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545399,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,411.1384,[M-H]-,30.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545400,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,411.1384,[M-H]-,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545401,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,413.15295,[M+H]+,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545402,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,413.15295,[M+H]+,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545403,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,413.15295,[M+H]+,60.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545404,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,413.15295,[M+H]+,30.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545405,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,413.15295,[M+H]+,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545406,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,413.15295,[M+H]+,60.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545407,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,413.15295,[M+H]+,30.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545408,CSCC[C@H](NC(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,413.15295,[M+H]+,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
545409,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,413.15295,[M+H]+,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545410,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,413.15295,[M+H]+,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545411,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,413.15295,[M+H]+,60.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545412,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,413.15295,[M+H]+,30.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545413,CSCC[C@H](NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2)C(=O)O,413.15295,[M+H]+,20.0,test,CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O
545414,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,411.1384,[M-H]-,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545415,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,411.1384,[M-H]-,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545416,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,411.1384,[M-H]-,60.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545417,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,411.1384,[M-H]-,30.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545418,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,411.1384,[M-H]-,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545419,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,457.14388,[M+FA]-,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545420,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,457.14388,[M+FA]-,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545421,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,457.14388,[M+FA]-,60.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545422,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,457.14388,[M+FA]-,15.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545423,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,457.14388,[M+FA]-,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545424,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,457.14388,[M+FA]-,60.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545425,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,457.14388,[M+FA]-,15.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545426,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,457.14388,[M+FA]-,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545427,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,413.15295,[M+H]+,20.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545428,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,413.15295,[M+H]+,20.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545429,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,413.15295,[M+H]+,60.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545430,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,413.15295,[M+H]+,15.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545431,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,413.15295,[M+H]+,20.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545432,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,435.1349,[M+Na]+,30.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545433,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,435.1349,[M+Na]+,30.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545434,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,435.1349,[M+Na]+,20.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545435,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1,435.1349,[M+Na]+,30.0,test,COc1ccccc1OCC(=O)N1CCC(Oc2nc3c(C)cccc3s2)CC1
545436,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1,413.15295,[M+H]+,20.0,test,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1
545437,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1,413.15295,[M+H]+,20.0,test,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1
545438,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1,413.15295,[M+H]+,60.0,test,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1
545439,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1,413.15295,[M+H]+,30.0,test,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1
545440,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1,413.15295,[M+H]+,20.0,test,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)cc1
545441,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,413.15295,[M+H]+,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545442,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,413.15295,[M+H]+,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545443,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,413.15295,[M+H]+,60.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545444,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,413.15295,[M+H]+,15.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545445,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,413.15295,[M+H]+,20.0,test,Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C
545446,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545447,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545448,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,60.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545449,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545450,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545451,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,501.14494,[M+FA]-,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545452,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,501.14494,[M+FA]-,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545453,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,501.14494,[M+FA]-,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545454,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,501.14494,[M+FA]-,60.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545455,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,501.14494,[M+FA]-,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545456,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545457,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545458,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,60.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545459,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545460,CCCc1cnc2c(c1SCC(=O)Nc1cc3c(cc1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545461,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545462,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545463,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,60.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545464,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545465,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545466,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545467,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,60.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545468,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,455.13947,[M-H]-,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545469,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545470,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545471,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,60.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545472,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545473,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545474,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,30.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545475,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,60.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545476,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C,457.15402,[M+H]+,20.0,test,CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C
545477,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1,393.17436,[M+H]+,20.0,test,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1
545478,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1,393.17436,[M+H]+,20.0,test,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1
545479,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1,393.17436,[M+H]+,60.0,test,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1
545480,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1,393.17436,[M+H]+,20.0,test,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1
545481,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1,393.17436,[M+H]+,45.0,test,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1
545482,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1,393.17436,[M+H]+,60.0,test,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1
545483,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1,393.17436,[M+H]+,20.0,test,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1
545484,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1,393.17436,[M+H]+,45.0,test,NC[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1c1ccccc1
545485,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,391.15981,[M-H]-,20.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545486,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,391.15981,[M-H]-,20.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545487,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,391.15981,[M-H]-,60.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545488,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,391.15981,[M-H]-,20.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545489,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,391.15981,[M-H]-,60.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545490,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,393.17436,[M+H]+,20.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545491,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,393.17436,[M+H]+,20.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545492,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,393.17436,[M+H]+,60.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545493,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,393.17436,[M+H]+,20.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545494,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1,393.17436,[M+H]+,45.0,test,Cc1cc(N2CCCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
545495,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,473.10814,[M+FA]-,20.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545496,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,473.10814,[M+FA]-,20.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545497,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,473.10814,[M+FA]-,60.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545498,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,473.10814,[M+FA]-,15.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545499,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,473.10814,[M+FA]-,20.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545500,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,429.11722,[M+H]+,20.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545501,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,429.11722,[M+H]+,20.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545502,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,429.11722,[M+H]+,30.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545503,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,429.11722,[M+H]+,60.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545504,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,429.11722,[M+H]+,15.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545505,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,429.11722,[M+H]+,20.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545506,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,429.11722,[M+H]+,60.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545507,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1,429.11722,[M+H]+,20.0,test,Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2ccccc2Br)C1
545508,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1,429.11722,[M+H]+,20.0,test,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1
545509,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1,429.11722,[M+H]+,20.0,test,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1
545510,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1,429.11722,[M+H]+,60.0,test,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1
545511,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1,429.11722,[M+H]+,30.0,test,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1
545512,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1,429.11722,[M+H]+,20.0,test,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1
545513,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1,429.11722,[M+H]+,60.0,test,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1
545514,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1,429.11722,[M+H]+,30.0,test,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1
545515,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1,429.11722,[M+H]+,20.0,test,Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1
545516,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1,429.15104,[M+H]+,20.0,test,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1
545517,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1,429.15104,[M+H]+,20.0,test,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1
545518,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1,429.15104,[M+H]+,45.0,test,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1
545519,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1,429.15104,[M+H]+,60.0,test,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1
545520,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1,429.15104,[M+H]+,20.0,test,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1
545521,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1,429.15104,[M+H]+,60.0,test,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1
545522,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1,429.15104,[M+H]+,45.0,test,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1
545523,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1,429.15104,[M+H]+,20.0,test,CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(Cl)cccc2s1
545524,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,503.12738,[M-H]-,20.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545525,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,503.12738,[M-H]-,20.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545526,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,503.12738,[M-H]-,60.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545527,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,503.12738,[M-H]-,20.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545528,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,503.12738,[M-H]-,45.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545529,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,503.12738,[M-H]-,60.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545530,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,503.12738,[M-H]-,20.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545531,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,503.12738,[M-H]-,45.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545532,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,505.14193,[M+H]+,20.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545533,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,505.14193,[M+H]+,20.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545534,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,505.14193,[M+H]+,60.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545535,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,505.14193,[M+H]+,20.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545536,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,505.14193,[M+H]+,45.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545537,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,505.14193,[M+H]+,60.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545538,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,505.14193,[M+H]+,20.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545539,COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc(N2CCOCC2)c1,505.14193,[M+H]+,45.0,test,COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
545540,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545541,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545542,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545543,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545544,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545545,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,471.09828,[M+Cl]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545546,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,471.09828,[M+Cl]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545547,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,471.09828,[M+Cl]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545548,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545549,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545550,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545551,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545552,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545553,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545554,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545555,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545556,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545557,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545558,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545559,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545560,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,45.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545561,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545562,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545563,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545564,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545565,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545566,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545567,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545568,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545569,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,471.09828,[M+Cl]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545570,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,471.09828,[M+Cl]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545571,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,471.09828,[M+Cl]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545572,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,471.09828,[M+Cl]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545573,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545574,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545575,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545576,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545577,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545578,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545579,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,15.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545580,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,481.12708,[M+FA]-,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545581,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545582,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545583,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545584,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,30.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545585,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,437.13616,[M+H]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545586,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,454.1627,[M+NH4]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545587,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,454.1627,[M+NH4]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545588,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,454.1627,[M+NH4]+,60.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545589,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,454.1627,[M+NH4]+,20.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545590,CCOc1ccc(Cc2c(Cl)ccc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)c2)cc1,454.1627,[M+NH4]+,45.0,test,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
545591,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,479.19116,[M+FA]-,15.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545592,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,479.19116,[M+FA]-,60.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545593,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,479.19116,[M+FA]-,20.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545594,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,435.20024,[M+H]+,20.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545595,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,435.20024,[M+H]+,20.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545596,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,435.20024,[M+H]+,60.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545597,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,435.20024,[M+H]+,30.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545598,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,435.20024,[M+H]+,20.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545599,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,435.20024,[M+H]+,30.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545600,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,435.20024,[M+H]+,60.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545601,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1,435.20024,[M+H]+,20.0,test,COc1ccc(CCNC(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)cc1
545602,Cc1cc(N2CCN(CCc3nc4ccccc4cc3)CC2)ccc1,332.21212,[M+H]+,20.0,test,Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
545603,Cc1cc(N2CCN(CCc3nc4ccccc4cc3)CC2)ccc1,332.21212,[M+H]+,20.0,test,Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
545604,Cc1cc(N2CCN(CCc3nc4ccccc4cc3)CC2)ccc1,332.21212,[M+H]+,60.0,test,Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
545605,Cc1cc(N2CCN(CCc3nc4ccccc4cc3)CC2)ccc1,332.21212,[M+H]+,30.0,test,Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
545606,Cc1cc(N2CCN(CCc3nc4ccccc4cc3)CC2)ccc1,332.21212,[M+H]+,20.0,test,Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
545607,Cc1cc(N2CCN(CCc3nc4ccccc4cc3)CC2)ccc1,332.21212,[M+H]+,60.0,test,Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
545608,Cc1cc(N2CCN(CCc3nc4ccccc4cc3)CC2)ccc1,332.21212,[M+H]+,30.0,test,Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
545609,Cc1cc(N2CCN(CCc3nc4ccccc4cc3)CC2)ccc1,332.21212,[M+H]+,20.0,test,Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
545610,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,430.13298,[M-H]-,20.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545611,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,430.13298,[M-H]-,20.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545612,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,430.13298,[M-H]-,60.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545613,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,430.13298,[M-H]-,20.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545614,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,430.13298,[M-H]-,45.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545615,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,432.14754,[M+H]+,20.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545616,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,432.14754,[M+H]+,20.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545617,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,432.14754,[M+H]+,60.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545618,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,432.14754,[M+H]+,15.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545619,COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)cc2,432.14754,[M+H]+,20.0,test,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12
545620,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O,430.15074,[M-H]-,20.0,test,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
545621,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O,430.15074,[M-H]-,20.0,test,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
545622,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O,430.15074,[M-H]-,60.0,test,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
545623,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O,430.15074,[M-H]-,15.0,test,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
545624,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O,430.15074,[M-H]-,20.0,test,CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
545625,CC/C=C/C(O)C(O)C1=C(C)C(=O)C2(O1)C(=O)NC(OC)(C(=O)c1ccccc1)C2O,430.15074,[M-H]-,20.0,test,CC/C=C/C(O)C(O)C1=C(C)C(=O)C2(O1)C(=O)NC(OC)(C(=O)c1ccccc1)C2O
545626,CC/C=C/C(O)C(O)C1=C(C)C(=O)C2(O1)C(=O)NC(OC)(C(=O)c1ccccc1)C2O,430.15074,[M-H]-,20.0,test,CC/C=C/C(O)C(O)C1=C(C)C(=O)C2(O1)C(=O)NC(OC)(C(=O)c1ccccc1)C2O
545627,CC/C=C/C(O)C(O)C1=C(C)C(=O)C2(O1)C(=O)NC(OC)(C(=O)c1ccccc1)C2O,430.15074,[M-H]-,20.0,test,CC/C=C/C(O)C(O)C1=C(C)C(=O)C2(O1)C(=O)NC(OC)(C(=O)c1ccccc1)C2O
545628,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,446.14566,[M-H]-,20.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545629,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,446.14566,[M-H]-,20.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545630,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,446.14566,[M-H]-,15.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545631,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,446.14566,[M-H]-,60.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545632,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,446.14566,[M-H]-,30.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545633,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,446.14566,[M-H]-,20.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545634,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,446.14566,[M-H]-,60.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545635,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,446.14566,[M-H]-,20.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545636,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,448.16021,[M+H]+,20.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545637,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,448.16021,[M+H]+,20.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545638,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,448.16021,[M+H]+,60.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545639,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,448.16021,[M+H]+,15.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545640,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,448.16021,[M+H]+,20.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545641,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,448.16021,[M+H]+,60.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545642,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,448.16021,[M+H]+,15.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545643,Cc1cc(OC(=O)c2c(O)c(C)c(O)c(C)c2C)cc(O)c1C(=O)NC(C(=O)O)C(C)O,448.16021,[M+H]+,20.0,test,Cc1cc(OC(=O)c2c(C)c(C)c(O)c(C)c2O)cc(O)c1C(=O)NC(C(=O)O)C(C)O
545644,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,438.18146,[M-H]-,20.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545645,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,438.18146,[M-H]-,20.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545646,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,438.18146,[M-H]-,60.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545647,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,438.18146,[M-H]-,20.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545648,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,438.18146,[M-H]-,60.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545649,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,440.19601,[M+H]+,20.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545650,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,440.19601,[M+H]+,20.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545651,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,440.19601,[M+H]+,60.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545652,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,440.19601,[M+H]+,20.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545653,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,440.19601,[M+H]+,45.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545654,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,440.19601,[M+H]+,60.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545655,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,440.19601,[M+H]+,20.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545656,O=C([C@@H]1CCCN(c2nc3c(cc2)[nH]c(C2(n4cc(Cl)cn4)CC2)n3)C1)N1CCCC1,440.19601,[M+H]+,45.0,test,O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1
545657,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545658,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545659,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545660,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545661,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545662,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545663,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545664,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545665,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545666,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545667,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545668,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545669,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545670,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545671,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545672,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545673,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545674,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545675,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545676,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545677,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545678,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545679,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545680,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545681,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545682,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545683,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545684,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545685,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545686,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545687,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545688,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545689,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545690,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545691,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545692,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545693,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545694,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545695,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545696,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545697,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545698,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545699,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545700,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545701,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545702,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545703,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545704,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545705,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,486.14845,[M-H]-,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545706,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545707,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545708,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545709,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545710,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545711,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,60.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545712,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,20.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545713,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.163,[M+H]+,45.0,test,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
545714,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,460.18894,[M+FA]-,20.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545715,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,460.18894,[M+FA]-,15.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545716,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,460.18894,[M+FA]-,20.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545717,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,460.18894,[M+FA]-,15.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545718,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,460.18894,[M+FA]-,20.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545719,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,416.19801,[M+H]+,20.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545720,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,416.19801,[M+H]+,20.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545721,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,416.19801,[M+H]+,60.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545722,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,416.19801,[M+H]+,20.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545723,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,416.19801,[M+H]+,45.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545724,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,416.19801,[M+H]+,60.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545725,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,416.19801,[M+H]+,20.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545726,O=C(NCCN1CCN(c2c3OC[C@H](CO)Oc3ccc2)CC1)c1ccc(F)cc1,416.19801,[M+H]+,45.0,test,O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1
545727,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,381.18198,[M-H]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545728,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,381.18198,[M-H]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545729,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,381.18198,[M-H]-,60.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545730,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,381.18198,[M-H]-,30.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545731,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,381.18198,[M-H]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545732,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,427.18746,[M+FA]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545733,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,427.18746,[M+FA]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545734,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,427.18746,[M+FA]-,60.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545735,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,427.18746,[M+FA]-,15.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545736,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,427.18746,[M+FA]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545737,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545738,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545739,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,383.19653,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545740,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,383.19653,[M+H]+,15.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545741,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545742,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,383.19653,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545743,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCc1ccc(O)cc1
545744,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC,383.19653,[M+H]+,30.0,test,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC
545745,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC,383.19653,[M+H]+,30.0,test,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC
545746,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC,383.19653,[M+H]+,20.0,test,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC
545747,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC,383.19653,[M+H]+,60.0,test,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC
545748,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC,383.19653,[M+H]+,30.0,test,COc1cccc(CCC(=O)N2CCNC(=O)CC2c2ccccc2)c1OC
545749,CCN(Cc1cc(OC)c(OC)cc1)C(=O)c1cc2c(cc1)NC(=O)CCC2,383.19653,[M+H]+,20.0,test,CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2
545750,CCN(Cc1cc(OC)c(OC)cc1)C(=O)c1cc2c(cc1)NC(=O)CCC2,383.19653,[M+H]+,20.0,test,CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2
545751,CCN(Cc1cc(OC)c(OC)cc1)C(=O)c1cc2c(cc1)NC(=O)CCC2,383.19653,[M+H]+,60.0,test,CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2
545752,CCN(Cc1cc(OC)c(OC)cc1)C(=O)c1cc2c(cc1)NC(=O)CCC2,383.19653,[M+H]+,15.0,test,CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2
545753,CCN(Cc1cc(OC)c(OC)cc1)C(=O)c1cc2c(cc1)NC(=O)CCC2,383.19653,[M+H]+,20.0,test,CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2
545754,CCN(Cc1cc(OC)c(OC)cc1)C(=O)c1cc2c(cc1)NC(=O)CCC2,383.19653,[M+H]+,60.0,test,CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2
545755,CCN(Cc1cc(OC)c(OC)cc1)C(=O)c1cc2c(cc1)NC(=O)CCC2,383.19653,[M+H]+,15.0,test,CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2
545756,CCN(Cc1cc(OC)c(OC)cc1)C(=O)c1cc2c(cc1)NC(=O)CCC2,383.19653,[M+H]+,20.0,test,CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2
545757,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,20.0,test,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545758,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,20.0,test,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545759,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,60.0,test,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545760,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,20.0,test,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545761,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,45.0,test,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545762,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,60.0,test,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545763,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,20.0,test,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545764,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,45.0,test,C=C[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545765,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,383.19653,[M+H]+,20.0,test,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1
545766,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,383.19653,[M+H]+,20.0,test,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1
545767,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,383.19653,[M+H]+,60.0,test,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1
545768,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,383.19653,[M+H]+,15.0,test,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1
545769,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,383.19653,[M+H]+,20.0,test,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1
545770,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,20.0,test,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545771,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,20.0,test,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545772,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,60.0,test,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545773,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,20.0,test,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545774,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,383.19653,[M+H]+,45.0,test,C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
545775,O=C(Oc1c2cccc(OC(=O)N3CCCCC3)c2ccc1)N1CCCCC1,383.19653,[M+H]+,20.0,test,O=C(Oc1cccc2c(OC(=O)N3CCCCC3)cccc12)N1CCCCC1
545776,O=C(Oc1c2cccc(OC(=O)N3CCCCC3)c2ccc1)N1CCCCC1,383.19653,[M+H]+,20.0,test,O=C(Oc1cccc2c(OC(=O)N3CCCCC3)cccc12)N1CCCCC1
545777,O=C(Oc1c2cccc(OC(=O)N3CCCCC3)c2ccc1)N1CCCCC1,383.19653,[M+H]+,60.0,test,O=C(Oc1cccc2c(OC(=O)N3CCCCC3)cccc12)N1CCCCC1
545778,O=C(Oc1c2cccc(OC(=O)N3CCCCC3)c2ccc1)N1CCCCC1,383.19653,[M+H]+,30.0,test,O=C(Oc1cccc2c(OC(=O)N3CCCCC3)cccc12)N1CCCCC1
545779,O=C(Oc1c2cccc(OC(=O)N3CCCCC3)c2ccc1)N1CCCCC1,383.19653,[M+H]+,20.0,test,O=C(Oc1cccc2c(OC(=O)N3CCCCC3)cccc12)N1CCCCC1
545780,C/C=C1/CN2CC[C@]34C(=Nc5c3cc(OC)cc5)C2C[C@@H]1C4(CO)C(=O)OC,383.19653,[M+H]+,20.0,test,C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)C2C[C@@H]1C4(CO)C(=O)OC
545781,C/C=C1/CN2CC[C@]34C(=Nc5c3cc(OC)cc5)C2C[C@@H]1C4(CO)C(=O)OC,383.19653,[M+H]+,20.0,test,C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)C2C[C@@H]1C4(CO)C(=O)OC
545782,C/C=C1/CN2CC[C@]34C(=Nc5c3cc(OC)cc5)C2C[C@@H]1C4(CO)C(=O)OC,383.19653,[M+H]+,60.0,test,C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)C2C[C@@H]1C4(CO)C(=O)OC
545783,C/C=C1/CN2CC[C@]34C(=Nc5c3cc(OC)cc5)C2C[C@@H]1C4(CO)C(=O)OC,383.19653,[M+H]+,20.0,test,C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)C2C[C@@H]1C4(CO)C(=O)OC
545784,C/C=C1/CN2CC[C@]34C(=Nc5c3cc(OC)cc5)C2C[C@@H]1C4(CO)C(=O)OC,383.19653,[M+H]+,45.0,test,C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)C2C[C@@H]1C4(CO)C(=O)OC
545785,C/C=C1/CN2CC[C@]34C(=Nc5c3cc(OC)cc5)C2C[C@@H]1C4(CO)C(=O)OC,383.19653,[M+H]+,60.0,test,C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)C2C[C@@H]1C4(CO)C(=O)OC
545786,C/C=C1/CN2CC[C@]34C(=Nc5c3cc(OC)cc5)C2C[C@@H]1C4(CO)C(=O)OC,383.19653,[M+H]+,20.0,test,C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)C2C[C@@H]1C4(CO)C(=O)OC
545787,C/C=C1/CN2CC[C@]34C(=Nc5c3cc(OC)cc5)C2C[C@@H]1C4(CO)C(=O)OC,383.19653,[M+H]+,45.0,test,C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)C2C[C@@H]1C4(CO)C(=O)OC
545788,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,381.18198,[M-H]-,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545789,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,381.18198,[M-H]-,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545790,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,381.18198,[M-H]-,60.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545791,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,381.18198,[M-H]-,15.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545792,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,381.18198,[M-H]-,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545793,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,427.18746,[M+FA]-,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545794,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,427.18746,[M+FA]-,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545795,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,427.18746,[M+FA]-,15.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545796,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,427.18746,[M+FA]-,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545797,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,383.19653,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545798,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,383.19653,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545799,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,383.19653,[M+H]+,60.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545800,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,383.19653,[M+H]+,15.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545801,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,383.19653,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
545802,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,427.18746,[M+FA]-,20.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545803,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,427.18746,[M+FA]-,20.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545804,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,427.18746,[M+FA]-,60.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545805,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,427.18746,[M+FA]-,15.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545806,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,427.18746,[M+FA]-,20.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545807,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,381.18198,[M-H]-,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545808,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,381.18198,[M-H]-,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545809,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,381.18198,[M-H]-,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545810,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,427.18746,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545811,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,427.18746,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545812,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,427.18746,[M+FA]-,60.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545813,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,427.18746,[M+FA]-,15.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545814,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,427.18746,[M+FA]-,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545815,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,381.18198,[M-H]-,15.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545816,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,381.18198,[M-H]-,15.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545817,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,381.18198,[M-H]-,60.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545818,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,427.18746,[M+FA]-,20.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545819,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,427.18746,[M+FA]-,20.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545820,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,427.18746,[M+FA]-,60.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545821,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,427.18746,[M+FA]-,15.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545822,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,427.18746,[M+FA]-,20.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545823,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,427.18746,[M+FA]-,15.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545824,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,427.18746,[M+FA]-,20.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545825,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,427.18746,[M+FA]-,60.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545826,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1
545827,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1
545828,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1,383.19653,[M+H]+,60.0,test,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1
545829,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1,383.19653,[M+H]+,30.0,test,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1
545830,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1
545831,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1,383.19653,[M+H]+,30.0,test,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1
545832,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1,383.19653,[M+H]+,60.0,test,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1
545833,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNC(=O)c3ccccc3OCC)CC2=O)cc1
545834,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,383.19653,[M+H]+,20.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545835,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,383.19653,[M+H]+,20.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545836,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,383.19653,[M+H]+,45.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545837,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,383.19653,[M+H]+,60.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545838,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,383.19653,[M+H]+,20.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545839,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,383.19653,[M+H]+,60.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545840,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,383.19653,[M+H]+,45.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545841,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1,383.19653,[M+H]+,20.0,test,COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1
545842,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545843,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545844,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,383.19653,[M+H]+,45.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545845,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,383.19653,[M+H]+,60.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545846,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545847,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,383.19653,[M+H]+,20.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545848,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,383.19653,[M+H]+,60.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545849,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1,383.19653,[M+H]+,45.0,test,CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1
545850,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,383.19653,[M+H]+,20.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545851,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,383.19653,[M+H]+,20.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545852,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,383.19653,[M+H]+,60.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545853,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,383.19653,[M+H]+,15.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545854,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,383.19653,[M+H]+,20.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545855,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,383.19653,[M+H]+,15.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545856,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,383.19653,[M+H]+,60.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545857,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1,383.19653,[M+H]+,20.0,test,CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
545858,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,397.1769,[M-H]-,20.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545859,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,397.1769,[M-H]-,30.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545860,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,443.18237,[M+FA]-,20.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545861,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,443.18237,[M+FA]-,20.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545862,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,443.18237,[M+FA]-,15.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545863,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,443.18237,[M+FA]-,20.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545864,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,443.18237,[M+FA]-,20.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545865,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,399.19145,[M+H]+,20.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545866,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,399.19145,[M+H]+,20.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545867,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,399.19145,[M+H]+,60.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545868,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,399.19145,[M+H]+,30.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545869,CCOc1c(OCc2ccccc2)ccc(/C=N/NC(=O)CC2(C)OCCO2)c1,399.19145,[M+H]+,20.0,test,CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1
545870,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,399.19145,[M+H]+,20.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545871,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,399.19145,[M+H]+,20.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545872,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,399.19145,[M+H]+,60.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545873,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,399.19145,[M+H]+,20.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545874,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,399.19145,[M+H]+,45.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545875,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,399.19145,[M+H]+,60.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545876,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,399.19145,[M+H]+,20.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545877,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,399.19145,[M+H]+,45.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545878,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,421.17339,[M+Na]+,20.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545879,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,421.17339,[M+Na]+,20.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545880,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,421.17339,[M+Na]+,60.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545881,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,421.17339,[M+Na]+,20.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545882,COCCCn1c(C2CCCCC2)nc2c(c(=O)c3c(cc(OC)cc3)o2)c1=O,421.17339,[M+Na]+,60.0,test,COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
545883,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,397.1769,[M-H]-,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545884,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,397.1769,[M-H]-,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545885,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,397.1769,[M-H]-,60.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545886,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,397.1769,[M-H]-,15.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545887,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,397.1769,[M-H]-,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545888,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,443.18237,[M+FA]-,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545889,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,443.18237,[M+FA]-,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545890,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,443.18237,[M+FA]-,60.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545891,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,443.18237,[M+FA]-,15.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545892,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,443.18237,[M+FA]-,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545893,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,399.19145,[M+H]+,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545894,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,399.19145,[M+H]+,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545895,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,399.19145,[M+H]+,60.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545896,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,399.19145,[M+H]+,30.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545897,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,399.19145,[M+H]+,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545898,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,399.19145,[M+H]+,60.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545899,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,399.19145,[M+H]+,30.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545900,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cc(OC)ccc1,399.19145,[M+H]+,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)c1cccc(OC)c1
545901,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC,399.19145,[M+H]+,20.0,test,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
545902,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC,399.19145,[M+H]+,20.0,test,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
545903,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC,399.19145,[M+H]+,60.0,test,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
545904,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC,399.19145,[M+H]+,15.0,test,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
545905,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC,399.19145,[M+H]+,20.0,test,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
545906,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC,399.19145,[M+H]+,60.0,test,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
545907,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC,399.19145,[M+H]+,20.0,test,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
545908,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC,399.19145,[M+H]+,15.0,test,COc1cccc(C(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
545909,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,361.20339,[M-H]-,20.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545910,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,361.20339,[M-H]-,20.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545911,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,361.20339,[M-H]-,60.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545912,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,361.20339,[M-H]-,20.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545913,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,361.20339,[M-H]-,60.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545914,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,407.20886,[M+FA]-,15.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545915,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,407.20886,[M+FA]-,15.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545916,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,407.20886,[M+FA]-,20.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545917,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,407.20886,[M+FA]-,60.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545918,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,407.20886,[M+FA]-,15.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545919,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,363.21794,[M+H]+,20.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545920,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,363.21794,[M+H]+,20.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545921,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,363.21794,[M+H]+,60.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545922,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,363.21794,[M+H]+,30.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545923,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1,363.21794,[M+H]+,20.0,test,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
545924,COc1ccc(-c2c(CN3C[C@@H](CN)[C@H](c4ccccc4)C3)cn[nH]2)cc1,363.21794,[M+H]+,20.0,test,COc1ccc(-c2[nH]ncc2CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1
545925,COc1ccc(-c2c(CN3C[C@@H](CN)[C@H](c4ccccc4)C3)cn[nH]2)cc1,363.21794,[M+H]+,20.0,test,COc1ccc(-c2[nH]ncc2CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1
545926,COc1ccc(-c2c(CN3C[C@@H](CN)[C@H](c4ccccc4)C3)cn[nH]2)cc1,363.21794,[M+H]+,60.0,test,COc1ccc(-c2[nH]ncc2CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1
545927,COc1ccc(-c2c(CN3C[C@@H](CN)[C@H](c4ccccc4)C3)cn[nH]2)cc1,363.21794,[M+H]+,30.0,test,COc1ccc(-c2[nH]ncc2CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1
545928,COc1ccc(-c2c(CN3C[C@@H](CN)[C@H](c4ccccc4)C3)cn[nH]2)cc1,363.21794,[M+H]+,20.0,test,COc1ccc(-c2[nH]ncc2CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1
545929,COc1ccc(-c2c(CN3C[C@@H](CN)[C@H](c4ccccc4)C3)cn[nH]2)cc1,363.21794,[M+H]+,60.0,test,COc1ccc(-c2[nH]ncc2CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1
545930,COc1ccc(-c2c(CN3C[C@@H](CN)[C@H](c4ccccc4)C3)cn[nH]2)cc1,363.21794,[M+H]+,30.0,test,COc1ccc(-c2[nH]ncc2CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1
545931,COc1ccc(-c2c(CN3C[C@@H](CN)[C@H](c4ccccc4)C3)cn[nH]2)cc1,363.21794,[M+H]+,20.0,test,COc1ccc(-c2[nH]ncc2CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1
545932,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,362.21011,[M]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545933,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,362.21011,[M]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545934,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,362.21011,[M]+,45.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545935,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,362.21011,[M]+,60.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545936,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,362.21011,[M]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545937,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545938,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545939,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,60.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545940,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,15.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545941,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545942,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545943,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545944,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,45.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545945,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,60.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545946,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1,363.21794,[M+H]+,20.0,test,CCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1
545947,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21,363.21794,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21
545948,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21,363.21794,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21
545949,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21,363.21794,[M+H]+,45.0,test,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21
545950,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21,363.21794,[M+H]+,60.0,test,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21
545951,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21,363.21794,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21
545952,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21,363.21794,[M+H]+,45.0,test,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21
545953,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21,363.21794,[M+H]+,60.0,test,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21
545954,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21,363.21794,[M+H]+,20.0,test,CCn1c(C2CCN(C(=O)CCCc3ccccc3)C2)nc2cccnc21
545955,Cc1ccc(S(=O)(=O)N2CCN(c3c4c5c(CCCC5)sc4nc(C)n3)CC2)cc1,443.15699,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)cc1
545956,Cc1ccc(S(=O)(=O)N2CCN(c3c4c5c(CCCC5)sc4nc(C)n3)CC2)cc1,443.15699,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)cc1
545957,Cc1ccc(S(=O)(=O)N2CCN(c3c4c5c(CCCC5)sc4nc(C)n3)CC2)cc1,443.15699,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)cc1
545958,Cc1ccc(S(=O)(=O)N2CCN(c3c4c5c(CCCC5)sc4nc(C)n3)CC2)cc1,443.15699,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)cc1
545959,Cc1ccc(S(=O)(=O)N2CCN(c3c4c5c(CCCC5)sc4nc(C)n3)CC2)cc1,443.15699,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)cc1
545960,Cc1ccc(S(=O)(=O)N2CCN(c3c4c5c(CCCC5)sc4nc(C)n3)CC2)cc1,443.15699,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)cc1
545961,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,441.1602,[M-H]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545962,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,441.1602,[M-H]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545963,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,441.1602,[M-H]-,45.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545964,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,441.1602,[M-H]-,60.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545965,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,441.1602,[M-H]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545966,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,441.1602,[M-H]-,45.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545967,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,441.1602,[M-H]-,60.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545968,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,441.1602,[M-H]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545969,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,477.13688,[M+Cl]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545970,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,477.13688,[M+Cl]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545971,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,477.13688,[M+Cl]-,60.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545972,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,477.13688,[M+Cl]-,15.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545973,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,487.16568,[M+FA]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545974,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,487.16568,[M+FA]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545975,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,487.16568,[M+FA]-,60.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545976,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,487.16568,[M+FA]-,30.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545977,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,487.16568,[M+FA]-,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
545978,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,441.1602,[M-H]-,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545979,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,441.1602,[M-H]-,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545980,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,441.1602,[M-H]-,45.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545981,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,441.1602,[M-H]-,60.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545982,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,441.1602,[M-H]-,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545983,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,441.1602,[M-H]-,45.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545984,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,441.1602,[M-H]-,60.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545985,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,441.1602,[M-H]-,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545986,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,487.16568,[M+FA]-,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545987,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,487.16568,[M+FA]-,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545988,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,487.16568,[M+FA]-,60.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545989,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,487.16568,[M+FA]-,15.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545990,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,487.16568,[M+FA]-,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
545991,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,441.1602,[M-H]-,20.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
545992,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,441.1602,[M-H]-,20.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
545993,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,441.1602,[M-H]-,45.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
545994,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,441.1602,[M-H]-,60.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
545995,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,441.1602,[M-H]-,20.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
545996,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,441.1602,[M-H]-,45.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
545997,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,441.1602,[M-H]-,60.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
545998,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,441.1602,[M-H]-,20.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
545999,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1,443.17475,[M+H]+,20.0,test,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1
546000,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1,443.17475,[M+H]+,20.0,test,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1
546001,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1,443.17475,[M+H]+,60.0,test,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1
546002,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1,443.17475,[M+H]+,20.0,test,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1
546003,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1,443.17475,[M+H]+,45.0,test,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1
546004,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1,443.17475,[M+H]+,20.0,test,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1
546005,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1,443.17475,[M+H]+,60.0,test,O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1
546006,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC,443.17475,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC
546007,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC,443.17475,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC
546008,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC,443.17475,[M+H]+,15.0,test,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC
546009,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC,443.17475,[M+H]+,60.0,test,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC
546010,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC,443.17475,[M+H]+,30.0,test,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC
546011,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC,443.17475,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC
546012,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC,443.17475,[M+H]+,20.0,test,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC
546013,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC,443.17475,[M+H]+,60.0,test,COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC
546014,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,442.16693,[M]+,20.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546015,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,442.16693,[M]+,20.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546016,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,442.16693,[M]+,60.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546017,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,442.16693,[M]+,20.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546018,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,442.16693,[M]+,60.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546019,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,443.17475,[M+H]+,20.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546020,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,443.17475,[M+H]+,20.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546021,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,443.17475,[M+H]+,60.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546022,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,443.17475,[M+H]+,20.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546023,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,443.17475,[M+H]+,60.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546024,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1,443.17475,[M+H]+,20.0,test,COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)sc32)cc1
546025,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,443.17475,[M+H]+,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
546026,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,443.17475,[M+H]+,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
546027,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,443.17475,[M+H]+,60.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
546028,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,443.17475,[M+H]+,30.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
546029,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,443.17475,[M+H]+,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
546030,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,443.17475,[M+H]+,60.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
546031,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,443.17475,[M+H]+,30.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
546032,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1,443.17475,[M+H]+,20.0,test,Cc1ccc(N(C)S(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
546033,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,443.17475,[M+H]+,20.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
546034,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,443.17475,[M+H]+,20.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
546035,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,443.17475,[M+H]+,60.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
546036,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,443.17475,[M+H]+,30.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
546037,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,443.17475,[M+H]+,20.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
546038,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,443.17475,[M+H]+,60.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
546039,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,443.17475,[M+H]+,30.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
546040,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1,443.17475,[M+H]+,20.0,test,Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)c1
546041,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,443.17475,[M+H]+,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
546042,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,443.17475,[M+H]+,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
546043,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,443.17475,[M+H]+,45.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
546044,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,443.17475,[M+H]+,60.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
546045,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,443.17475,[M+H]+,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
546046,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,443.17475,[M+H]+,45.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
546047,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,443.17475,[M+H]+,60.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
546048,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1,443.17475,[M+H]+,20.0,test,Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCCc1ccccc1
546049,COc1c(OC)c2c(cc1)cnn(CC(=O)Nc1ccc(OCCN(C)C)cc1)c2=O,427.1976,[M+H]+,20.0,test,COc1ccc2cnn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2c1OC
546050,COc1c(OC)c2c(cc1)cnn(CC(=O)Nc1ccc(OCCN(C)C)cc1)c2=O,427.1976,[M+H]+,20.0,test,COc1ccc2cnn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2c1OC
546051,COc1c(OC)c2c(cc1)cnn(CC(=O)Nc1ccc(OCCN(C)C)cc1)c2=O,427.1976,[M+H]+,60.0,test,COc1ccc2cnn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2c1OC
546052,COc1c(OC)c2c(cc1)cnn(CC(=O)Nc1ccc(OCCN(C)C)cc1)c2=O,427.1976,[M+H]+,15.0,test,COc1ccc2cnn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2c1OC
546053,COc1c(OC)c2c(cc1)cnn(CC(=O)Nc1ccc(OCCN(C)C)cc1)c2=O,427.1976,[M+H]+,20.0,test,COc1ccc2cnn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2c1OC
546054,COc1c(OC)c2c(cc1)cnn(CC(=O)Nc1ccc(OCCN(C)C)cc1)c2=O,427.1976,[M+H]+,60.0,test,COc1ccc2cnn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2c1OC
546055,COc1c(OC)c2c(cc1)cnn(CC(=O)Nc1ccc(OCCN(C)C)cc1)c2=O,427.1976,[M+H]+,15.0,test,COc1ccc2cnn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2c1OC
546056,COc1c(OC)c2c(cc1)cnn(CC(=O)Nc1ccc(OCCN(C)C)cc1)c2=O,427.1976,[M+H]+,20.0,test,COc1ccc2cnn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2c1OC
546057,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,481.13515,[M-H]-,20.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546058,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,481.13515,[M-H]-,20.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546059,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,481.13515,[M-H]-,60.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546060,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,481.13515,[M-H]-,30.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546061,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,481.13515,[M-H]-,20.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546062,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1,481.13515,[M-H]-,20.0,test,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1
546063,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1,481.13515,[M-H]-,20.0,test,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1
546064,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1,481.13515,[M-H]-,60.0,test,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1
546065,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1,481.13515,[M-H]-,30.0,test,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1
546066,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1,481.13515,[M-H]-,20.0,test,O=C(OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12O)c1ccc(O)cc1
546067,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,481.13515,[M-H]-,20.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546068,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,481.13515,[M-H]-,20.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546069,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,481.13515,[M-H]-,60.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546070,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,481.13515,[M-H]-,30.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546071,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,481.13515,[M-H]-,20.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546072,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,500.17625,[M+NH4]+,20.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546073,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,500.17625,[M+NH4]+,20.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546074,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,500.17625,[M+NH4]+,60.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546075,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,500.17625,[M+NH4]+,15.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546076,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,500.17625,[M+NH4]+,20.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546077,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,500.17625,[M+NH4]+,60.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546078,COc1cc(C(=O)OCc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1O,500.17625,[M+NH4]+,20.0,test,COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O
546079,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,500.17625,[M+NH4]+,20.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546080,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,500.17625,[M+NH4]+,20.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546081,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,500.17625,[M+NH4]+,60.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546082,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,500.17625,[M+NH4]+,15.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546083,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,500.17625,[M+NH4]+,20.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546084,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,500.17625,[M+NH4]+,60.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546085,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,500.17625,[M+NH4]+,15.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546086,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,500.17625,[M+NH4]+,20.0,test,O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
546087,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,461.18735,[M+Cl]-,20.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546088,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,471.21615,[M+FA]-,20.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546089,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,471.21615,[M+FA]-,20.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546090,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,471.21615,[M+FA]-,60.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546091,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,471.21615,[M+FA]-,15.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546092,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,471.21615,[M+FA]-,20.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546093,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,427.22523,[M+H]+,20.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546094,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,427.22523,[M+H]+,20.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546095,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,427.22523,[M+H]+,45.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546096,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,427.22523,[M+H]+,60.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546097,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,427.22523,[M+H]+,20.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546098,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,427.22523,[M+H]+,60.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546099,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,427.22523,[M+H]+,45.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546100,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1,427.22523,[M+H]+,20.0,test,CCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1
546101,CC(C)CN(C(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCc2c1nccc2,366.2176,[M+H]+,20.0,test,CC(C)CN(C(=O)c1cc(C2CC2)[nH]c(=O)c1)C1CCCc2cccnc21
546102,CC(C)CN(C(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCc2c1nccc2,366.2176,[M+H]+,20.0,test,CC(C)CN(C(=O)c1cc(C2CC2)[nH]c(=O)c1)C1CCCc2cccnc21
546103,CC(C)CN(C(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCc2c1nccc2,366.2176,[M+H]+,60.0,test,CC(C)CN(C(=O)c1cc(C2CC2)[nH]c(=O)c1)C1CCCc2cccnc21
546104,CC(C)CN(C(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCc2c1nccc2,366.2176,[M+H]+,30.0,test,CC(C)CN(C(=O)c1cc(C2CC2)[nH]c(=O)c1)C1CCCc2cccnc21
546105,CC(C)CN(C(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCc2c1nccc2,366.2176,[M+H]+,20.0,test,CC(C)CN(C(=O)c1cc(C2CC2)[nH]c(=O)c1)C1CCCc2cccnc21
546106,CC(C)CN(C(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCc2c1nccc2,366.2176,[M+H]+,60.0,test,CC(C)CN(C(=O)c1cc(C2CC2)[nH]c(=O)c1)C1CCCc2cccnc21
546107,CC(C)CN(C(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCc2c1nccc2,366.2176,[M+H]+,30.0,test,CC(C)CN(C(=O)c1cc(C2CC2)[nH]c(=O)c1)C1CCCc2cccnc21
546108,CC(C)CN(C(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCc2c1nccc2,366.2176,[M+H]+,20.0,test,CC(C)CN(C(=O)c1cc(C2CC2)[nH]c(=O)c1)C1CCCc2cccnc21
546109,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,366.2176,[M+H]+,20.0,test,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
546110,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,366.2176,[M+H]+,20.0,test,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
546111,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,366.2176,[M+H]+,60.0,test,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
546112,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,366.2176,[M+H]+,30.0,test,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
546113,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,366.2176,[M+H]+,20.0,test,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
546114,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,366.2176,[M+H]+,60.0,test,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
546115,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,366.2176,[M+H]+,30.0,test,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
546116,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,366.2176,[M+H]+,20.0,test,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
546117,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,364.20305,[M-H]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546118,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,364.20305,[M-H]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546119,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,364.20305,[M-H]-,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546120,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,364.20305,[M-H]-,15.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546121,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,364.20305,[M-H]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546122,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,400.17973,[M+Cl]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546123,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,400.17973,[M+Cl]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546124,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,400.17973,[M+Cl]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546125,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,410.20853,[M+FA]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546126,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,410.20853,[M+FA]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546127,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,410.20853,[M+FA]-,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546128,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,410.20853,[M+FA]-,15.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546129,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,410.20853,[M+FA]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546130,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,410.20853,[M+FA]-,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546131,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,410.20853,[M+FA]-,15.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546132,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,410.20853,[M+FA]-,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546133,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,364.20305,[M-H]-,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546134,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,364.20305,[M-H]-,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546135,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,364.20305,[M-H]-,60.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546136,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,364.20305,[M-H]-,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546137,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,364.20305,[M-H]-,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546138,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,364.20305,[M-H]-,60.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546139,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,410.20853,[M+FA]-,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546140,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,410.20853,[M+FA]-,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546141,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,410.20853,[M+FA]-,60.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546142,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,410.20853,[M+FA]-,15.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546143,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,410.20853,[M+FA]-,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546144,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,366.2176,[M+H]+,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546145,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,366.2176,[M+H]+,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546146,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,366.2176,[M+H]+,60.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546147,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,366.2176,[M+H]+,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546148,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,366.2176,[M+H]+,60.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546149,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1,366.2176,[M+H]+,20.0,test,Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CCC3)cc2n1
546150,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,366.2176,[M+H]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546151,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,366.2176,[M+H]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546152,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,366.2176,[M+H]+,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546153,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,366.2176,[M+H]+,30.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546154,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,366.2176,[M+H]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546155,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,366.2176,[M+H]+,30.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546156,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,366.2176,[M+H]+,60.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546157,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1,366.2176,[M+H]+,20.0,test,CC(C)(C)c1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
546158,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,412.18779,[M-H]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546159,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,412.18779,[M-H]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546160,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,412.18779,[M-H]-,60.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546161,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,412.18779,[M-H]-,30.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546162,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,412.18779,[M-H]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546163,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,448.16447,[M+Cl]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546164,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,448.16447,[M+Cl]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546165,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,448.16447,[M+Cl]-,60.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546166,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,448.16447,[M+Cl]-,30.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546167,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,448.16447,[M+Cl]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546168,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,458.19327,[M+FA]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546169,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,458.19327,[M+FA]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546170,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,458.19327,[M+FA]-,60.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546171,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,458.19327,[M+FA]-,15.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546172,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,458.19327,[M+FA]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546173,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,458.19327,[M+FA]-,60.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546174,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,458.19327,[M+FA]-,15.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546175,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,458.19327,[M+FA]-,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546176,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,414.20235,[M+H]+,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546177,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,414.20235,[M+H]+,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546178,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,414.20235,[M+H]+,60.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546179,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,414.20235,[M+H]+,30.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546180,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1,414.20235,[M+H]+,20.0,test,NC(=O)c1ccccc1Oc1ccc(NC(=O)NC(CCO)C2CCOCC2)cc1
546181,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21,414.20235,[M+H]+,20.0,test,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21
546182,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21,414.20235,[M+H]+,20.0,test,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21
546183,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21,414.20235,[M+H]+,60.0,test,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21
546184,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21,414.20235,[M+H]+,30.0,test,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21
546185,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21,414.20235,[M+H]+,20.0,test,CC(=O)N1CCc2cc(N3CC(C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21
546186,CC(CNCC1(c2cc3c(cc2)OCO3)CCOCC1)c1ccccc1,354.20637,[M+H]+,20.0,test,CC(CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1
546187,CC(CNCC1(c2cc3c(cc2)OCO3)CCOCC1)c1ccccc1,354.20637,[M+H]+,20.0,test,CC(CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1
546188,CC(CNCC1(c2cc3c(cc2)OCO3)CCOCC1)c1ccccc1,354.20637,[M+H]+,60.0,test,CC(CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1
546189,CC(CNCC1(c2cc3c(cc2)OCO3)CCOCC1)c1ccccc1,354.20637,[M+H]+,30.0,test,CC(CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1
546190,CC(CNCC1(c2cc3c(cc2)OCO3)CCOCC1)c1ccccc1,354.20637,[M+H]+,20.0,test,CC(CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1
546191,CC(CNCC1(c2cc3c(cc2)OCO3)CCOCC1)c1ccccc1,354.20637,[M+H]+,60.0,test,CC(CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1
546192,CC(CNCC1(c2cc3c(cc2)OCO3)CCOCC1)c1ccccc1,354.20637,[M+H]+,30.0,test,CC(CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1
546193,CC(CNCC1(c2cc3c(cc2)OCO3)CCOCC1)c1ccccc1,354.20637,[M+H]+,20.0,test,CC(CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1
546194,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1,354.20637,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1
546195,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1,354.20637,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1
546196,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1,354.20637,[M+H]+,60.0,test,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1
546197,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1,354.20637,[M+H]+,15.0,test,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1
546198,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1,354.20637,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1
546199,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1,354.20637,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1
546200,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1,354.20637,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1
546201,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1,354.20637,[M+H]+,60.0,test,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1
546202,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1,354.20637,[M+H]+,30.0,test,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1
546203,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1,354.20637,[M+H]+,20.0,test,Cc1ccccc1OCC(=O)N1CCCC(COCc2ccccc2)C1
546204,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2,402.17336,[M+H]+,20.0,test,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2
546205,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2,402.17336,[M+H]+,20.0,test,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2
546206,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2,402.17336,[M+H]+,60.0,test,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2
546207,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2,402.17336,[M+H]+,15.0,test,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2
546208,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2,402.17336,[M+H]+,20.0,test,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2
546209,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2,402.17336,[M+H]+,60.0,test,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2
546210,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2,402.17336,[M+H]+,15.0,test,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2
546211,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2,402.17336,[M+H]+,20.0,test,CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2
546212,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,432.16639,[M-H]-,20.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546213,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,432.16639,[M-H]-,20.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546214,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,432.16639,[M-H]-,60.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546215,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,432.16639,[M-H]-,30.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546216,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,432.16639,[M-H]-,20.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546217,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,432.16639,[M-H]-,60.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546218,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,432.16639,[M-H]-,30.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546219,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,432.16639,[M-H]-,20.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546220,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,434.18094,[M+H]+,20.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546221,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,434.18094,[M+H]+,20.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546222,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,434.18094,[M+H]+,60.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546223,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,434.18094,[M+H]+,30.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546224,CCCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C,434.18094,[M+H]+,20.0,test,CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12
546225,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,446.18521,[M+FA]-,20.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546226,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,446.18521,[M+FA]-,20.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546227,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,446.18521,[M+FA]-,60.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546228,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,446.18521,[M+FA]-,15.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546229,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,446.18521,[M+FA]-,20.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546230,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,402.19428,[M+H]+,20.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546231,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,402.19428,[M+H]+,20.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546232,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,402.19428,[M+H]+,60.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546233,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,402.19428,[M+H]+,15.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546234,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,402.19428,[M+H]+,20.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546235,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,402.19428,[M+H]+,45.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546236,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,402.19428,[M+H]+,60.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546237,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1,402.19428,[M+H]+,20.0,test,Cc1cc(N2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)ccn1
546238,CC(C1CC1)n1cnc2c(NCc3cc(C(F)(F)F)ccc3)nc(NCCN(C)C)nc21,448.24311,[M+H]+,20.0,test,CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
546239,CC(C1CC1)n1cnc2c(NCc3cc(C(F)(F)F)ccc3)nc(NCCN(C)C)nc21,448.24311,[M+H]+,20.0,test,CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
546240,CC(C1CC1)n1cnc2c(NCc3cc(C(F)(F)F)ccc3)nc(NCCN(C)C)nc21,448.24311,[M+H]+,60.0,test,CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
546241,CC(C1CC1)n1cnc2c(NCc3cc(C(F)(F)F)ccc3)nc(NCCN(C)C)nc21,448.24311,[M+H]+,30.0,test,CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
546242,CC(C1CC1)n1cnc2c(NCc3cc(C(F)(F)F)ccc3)nc(NCCN(C)C)nc21,448.24311,[M+H]+,20.0,test,CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
546243,CC(C1CC1)n1cnc2c(NCc3cc(C(F)(F)F)ccc3)nc(NCCN(C)C)nc21,448.24311,[M+H]+,60.0,test,CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
546244,CC(C1CC1)n1cnc2c(NCc3cc(C(F)(F)F)ccc3)nc(NCCN(C)C)nc21,448.24311,[M+H]+,30.0,test,CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
546245,CC(C1CC1)n1cnc2c(NCc3cc(C(F)(F)F)ccc3)nc(NCCN(C)C)nc21,448.24311,[M+H]+,20.0,test,CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
546246,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,351.2078,[M-H]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546247,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,351.2078,[M-H]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546248,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,351.2078,[M-H]-,60.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546249,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,351.2078,[M-H]-,30.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546250,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,351.2078,[M-H]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546251,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,351.2078,[M-H]-,60.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546252,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,351.2078,[M-H]-,30.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546253,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,351.2078,[M-H]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546254,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,387.18448,[M+Cl]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546255,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,387.18448,[M+Cl]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546256,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,387.18448,[M+Cl]-,60.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546257,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,387.18448,[M+Cl]-,15.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546258,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,387.18448,[M+Cl]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546259,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,397.21328,[M+FA]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546260,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,397.21328,[M+FA]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546261,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,397.21328,[M+FA]-,60.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546262,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,397.21328,[M+FA]-,15.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546263,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,397.21328,[M+FA]-,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546264,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,353.22235,[M+H]+,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546265,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,353.22235,[M+H]+,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546266,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,353.22235,[M+H]+,60.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546267,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,353.22235,[M+H]+,15.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546268,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,353.22235,[M+H]+,20.0,test,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
546269,CC(C)c1ccc(-c2cc(C(N)=O)c(NC3CCC(O)CC3)cc2)cc1,353.22235,[M+H]+,20.0,test,CC(C)c1ccc(-c2ccc(NC3CCC(O)CC3)c(C(N)=O)c2)cc1
546270,CC(C)c1ccc(-c2cc(C(N)=O)c(NC3CCC(O)CC3)cc2)cc1,353.22235,[M+H]+,20.0,test,CC(C)c1ccc(-c2ccc(NC3CCC(O)CC3)c(C(N)=O)c2)cc1
546271,CC(C)c1ccc(-c2cc(C(N)=O)c(NC3CCC(O)CC3)cc2)cc1,353.22235,[M+H]+,60.0,test,CC(C)c1ccc(-c2ccc(NC3CCC(O)CC3)c(C(N)=O)c2)cc1
546272,CC(C)c1ccc(-c2cc(C(N)=O)c(NC3CCC(O)CC3)cc2)cc1,353.22235,[M+H]+,30.0,test,CC(C)c1ccc(-c2ccc(NC3CCC(O)CC3)c(C(N)=O)c2)cc1
546273,CC(C)c1ccc(-c2cc(C(N)=O)c(NC3CCC(O)CC3)cc2)cc1,353.22235,[M+H]+,20.0,test,CC(C)c1ccc(-c2ccc(NC3CCC(O)CC3)c(C(N)=O)c2)cc1
546274,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,335.21179,[M+H-H2O]+,20.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546275,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,335.21179,[M+H-H2O]+,20.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546276,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,335.21179,[M+H-H2O]+,60.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546277,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,335.21179,[M+H-H2O]+,30.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546278,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,335.21179,[M+H-H2O]+,20.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546279,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,335.21179,[M+H-H2O]+,30.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546280,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,335.21179,[M+H-H2O]+,20.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546281,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,335.21179,[M+H-H2O]+,60.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546282,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,353.22235,[M+H]+,20.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546283,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,353.22235,[M+H]+,20.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546284,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,353.22235,[M+H]+,60.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546285,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,353.22235,[M+H]+,15.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546286,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1,353.22235,[M+H]+,20.0,test,Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1
546287,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,396.22927,[M+FA]-,20.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546288,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,396.22927,[M+FA]-,60.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546289,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,396.22927,[M+FA]-,15.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546290,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,396.22927,[M+FA]-,20.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546291,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,352.23834,[M+H]+,20.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546292,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,352.23834,[M+H]+,20.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546293,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,352.23834,[M+H]+,60.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546294,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,352.23834,[M+H]+,20.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546295,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,352.23834,[M+H]+,60.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546296,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1,352.23834,[M+H]+,20.0,test,Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1
546297,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,20.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546298,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,20.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546299,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,60.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546300,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,15.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546301,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,20.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546302,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,60.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546303,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,15.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546304,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,20.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546305,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,20.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546306,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,20.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546307,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,60.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546308,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,15.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546309,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,20.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546310,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,60.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546311,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,15.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546312,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,388.21185,[M+H]+,20.0,test,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
546313,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,402.19221,[M-H]-,20.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546314,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,402.19221,[M-H]-,20.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546315,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,402.19221,[M-H]-,60.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546316,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,402.19221,[M-H]-,20.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546317,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,402.19221,[M-H]-,60.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546318,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,402.19221,[M-H]-,20.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546319,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,402.19221,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546320,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,402.19221,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546321,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,402.19221,[M-H]-,60.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546322,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,402.19221,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546323,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,404.20676,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546324,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,404.20676,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546325,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,404.20676,[M+H]+,60.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546326,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,404.20676,[M+H]+,30.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546327,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c2C,404.20676,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12
546328,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,404.20676,[M+H]+,20.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546329,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,404.20676,[M+H]+,20.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546330,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,404.20676,[M+H]+,60.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546331,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,404.20676,[M+H]+,30.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546332,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,404.20676,[M+H]+,20.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546333,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,404.20676,[M+H]+,60.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546334,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,404.20676,[M+H]+,30.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546335,CCCCC(NC(=O)C(C)Oc1c(C)c2c(cc1)c(CCC)cc(=O)o2)C(=O)O,404.20676,[M+H]+,20.0,test,CCCCC(NC(=O)C(C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)O
546336,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1
546337,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1
546338,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,15.0,test,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1
546339,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,60.0,test,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1
546340,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1
546341,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546342,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546343,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,60.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546344,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546345,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546346,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546347,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546348,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,60.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546349,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,15.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546350,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546351,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,503.19592,[M-H]-,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546352,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,503.19592,[M-H]-,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546353,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,503.19592,[M-H]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546354,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,503.19592,[M-H]-,60.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546355,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,503.19592,[M-H]-,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546356,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546357,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546358,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546359,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,60.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546360,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,539.1726,[M+Cl]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546361,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546362,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546363,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,60.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546364,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,15.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546365,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546366,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,60.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546367,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,15.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546368,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,549.2014,[M+FA]-,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546369,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546370,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546371,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,60.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546372,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546373,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546374,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546375,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546376,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,20.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546377,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,60.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546378,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,505.21047,[M+H]+,30.0,test,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
546379,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,402.19538,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546380,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,402.19538,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546381,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,402.19538,[M-H]-,60.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546382,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,402.19538,[M-H]-,30.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546383,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,402.19538,[M-H]-,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546384,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,448.20086,[M+FA]-,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546385,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,448.20086,[M+FA]-,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546386,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,448.20086,[M+FA]-,60.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546387,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,448.20086,[M+FA]-,15.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546388,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,448.20086,[M+FA]-,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546389,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,404.20993,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546390,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,404.20993,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546391,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,404.20993,[M+H]+,60.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546392,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,404.20993,[M+H]+,20.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546393,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,404.20993,[M+H]+,45.0,test,CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1
546394,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,524.17399,[M+FA]-,15.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546395,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,524.17399,[M+FA]-,20.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546396,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,524.17399,[M+FA]-,60.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546397,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,480.18306,[M+H]+,20.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546398,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,480.18306,[M+H]+,20.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546399,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,480.18306,[M+H]+,45.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546400,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,480.18306,[M+H]+,60.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546401,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,480.18306,[M+H]+,20.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546402,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,480.18306,[M+H]+,20.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546403,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,480.18306,[M+H]+,45.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546404,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1,480.18306,[M+H]+,60.0,test,CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1
546405,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,20.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546406,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,20.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546407,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,60.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546408,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,30.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546409,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,20.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546410,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,20.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546411,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,20.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546412,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,60.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546413,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,30.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546414,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,20.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546415,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,60.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546416,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,30.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546417,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,343.22677,[M+H]+,20.0,test,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
546418,C=CC/C=C\C/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,341.21222,[M-H]-,20.0,test,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546419,C=CC/C=C\C/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,341.21222,[M-H]-,20.0,test,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546420,C=CC/C=C\C/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,341.21222,[M-H]-,60.0,test,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546421,C=CC/C=C\C/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,341.21222,[M-H]-,20.0,test,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546422,C=CC/C=C\C/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,341.21222,[M-H]-,45.0,test,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546423,C=CC/C=C\C/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,341.21222,[M-H]-,60.0,test,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546424,C=CC/C=C\C/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,341.21222,[M-H]-,20.0,test,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546425,C=CC/C=C\C/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,341.21222,[M-H]-,45.0,test,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546426,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546427,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546428,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,60.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546429,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,30.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546430,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546431,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546432,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546433,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546434,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,30.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546435,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546436,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546437,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,30.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546438,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546439,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546440,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546441,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,60.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546442,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,15.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546443,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546444,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546445,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546446,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,60.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546447,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,30.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546448,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546449,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,60.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546450,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,30.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546451,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,416.21909,[M-H]-,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546452,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546453,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546454,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546455,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,30.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546456,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546457,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546458,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,30.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546459,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,418.23365,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
546460,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546461,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546462,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,60.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546463,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,30.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546464,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,20.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546465,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,60.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546466,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,418.23365,[M+H]+,30.0,test,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
546467,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,412.23541,[M-H]-,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546468,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,412.23541,[M-H]-,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546469,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,412.23541,[M-H]-,60.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546470,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,412.23541,[M-H]-,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546471,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,412.23541,[M-H]-,60.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546472,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,412.23541,[M-H]-,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546473,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,414.24997,[M+H]+,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546474,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,414.24997,[M+H]+,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546475,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,414.24997,[M+H]+,60.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546476,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,414.24997,[M+H]+,15.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546477,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,414.24997,[M+H]+,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546478,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,414.24997,[M+H]+,45.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546479,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,414.24997,[M+H]+,60.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546480,CCn1c(=O)[nH]c2c(ccc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)c2)c1=O,414.24997,[M+H]+,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCN(C4CCN(C)CC4)C3)ccc2c1=O
546481,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1,373.24857,[M+H]+,20.0,test,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1
546482,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1,373.24857,[M+H]+,20.0,test,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1
546483,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1,373.24857,[M+H]+,60.0,test,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1
546484,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1,373.24857,[M+H]+,20.0,test,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1
546485,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1,373.24857,[M+H]+,45.0,test,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1
546486,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1,373.24857,[M+H]+,60.0,test,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1
546487,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1,373.24857,[M+H]+,20.0,test,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1
546488,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1,373.24857,[M+H]+,45.0,test,CC1CCN(C2CCC(NC(=O)CC3COc4ccccc4O3)CC2)CC1
546489,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1,369.26489,[M+H]+,20.0,test,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1
546490,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1,369.26489,[M+H]+,20.0,test,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1
546491,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1,369.26489,[M+H]+,60.0,test,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1
546492,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1,369.26489,[M+H]+,30.0,test,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1
546493,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1,369.26489,[M+H]+,20.0,test,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1
546494,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1,369.26489,[M+H]+,60.0,test,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1
546495,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1,369.26489,[M+H]+,30.0,test,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1
546496,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1,369.26489,[M+H]+,20.0,test,OC(CNCc1cc2ccccc2nc1N1CCCCC1)CN1CCCC1
546497,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,20.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546498,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,20.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546499,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,60.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546500,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,30.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546501,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,20.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546502,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,60.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546503,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,30.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546504,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,20.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546505,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,639.1463,[M+H]+,30.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546506,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,639.1463,[M+H]+,30.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546507,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,639.1463,[M+H]+,20.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546508,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,639.1463,[M+H]+,60.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546509,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,639.1463,[M+H]+,30.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546510,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,20.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546511,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,20.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546512,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,60.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546513,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,30.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546514,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(O)c(C)ncc2COP(=O)(O)O)CC(=O)O)c1O,637.13175,[M-H]-,20.0,test,Cc1ncc(COP(=O)(O)O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)(O)O)cnc(C)c2O)CC(=O)O)c1O
546515,CC(C)c1c2nc(NCCCCCCN)cc(NCc3ccccc3)n2nc1,381.27612,[M+H]+,45.0,test,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
546516,CC(C)c1c2nc(NCCCCCCN)cc(NCc3ccccc3)n2nc1,381.27612,[M+H]+,45.0,test,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
546517,CC(C)c1c2nc(NCCCCCCN)cc(NCc3ccccc3)n2nc1,381.27612,[M+H]+,20.0,test,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
546518,CC(C)c1c2nc(NCCCCCCN)cc(NCc3ccccc3)n2nc1,381.27612,[M+H]+,60.0,test,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
546519,CC(C)c1c2nc(NCCCCCCN)cc(NCc3ccccc3)n2nc1,381.27612,[M+H]+,45.0,test,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
546520,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,381.27612,[M+H]+,20.0,test,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
546521,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,381.27612,[M+H]+,20.0,test,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
546522,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,381.27612,[M+H]+,60.0,test,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
546523,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,381.27612,[M+H]+,20.0,test,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
546524,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,381.27612,[M+H]+,60.0,test,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
546525,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,381.27612,[M+H]+,20.0,test,CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
546526,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,418.21699,[M-H]-,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546527,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,418.21699,[M-H]-,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546528,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,418.21699,[M-H]-,60.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546529,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,418.21699,[M-H]-,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546530,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,418.21699,[M-H]-,45.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546531,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,418.21699,[M-H]-,60.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546532,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,418.21699,[M-H]-,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546533,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,418.21699,[M-H]-,45.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546534,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,454.19366,[M+Cl]-,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546535,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,454.19366,[M+Cl]-,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546536,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,420.23154,[M+H]+,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546537,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,420.23154,[M+H]+,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546538,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,420.23154,[M+H]+,60.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546539,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,420.23154,[M+H]+,15.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546540,CCCSc1c(C(=O)NC2CCCCC2)ccc(N2CCC[C@@H](CC(=O)O)C2)n1,420.23154,[M+H]+,20.0,test,CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
546541,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1,420.23154,[M+H]+,20.0,test,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1
546542,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1,420.23154,[M+H]+,20.0,test,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1
546543,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1,420.23154,[M+H]+,45.0,test,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1
546544,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1,420.23154,[M+H]+,60.0,test,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1
546545,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1,420.23154,[M+H]+,20.0,test,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1
546546,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1,420.23154,[M+H]+,20.0,test,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1
546547,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1,420.23154,[M+H]+,45.0,test,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1
546548,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1,420.23154,[M+H]+,60.0,test,CCCc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC4CC4)C3=O)CC2)cc1
546549,CC(C)c1c(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)nco1,384.27579,[M+H]+,20.0,test,CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1
546550,CC(C)c1c(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)nco1,384.27579,[M+H]+,20.0,test,CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1
546551,CC(C)c1c(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)nco1,384.27579,[M+H]+,60.0,test,CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1
546552,CC(C)c1c(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)nco1,384.27579,[M+H]+,20.0,test,CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1
546553,CC(C)c1c(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)nco1,384.27579,[M+H]+,45.0,test,CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1
546554,CC(C)c1c(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)nco1,384.27579,[M+H]+,60.0,test,CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1
546555,CC(C)c1c(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)nco1,384.27579,[M+H]+,20.0,test,CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1
546556,CC(C)c1c(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)nco1,384.27579,[M+H]+,45.0,test,CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1
546557,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,389.24458,[M-H]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546558,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,389.24458,[M-H]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546559,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,389.24458,[M-H]-,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546560,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546561,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546562,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546563,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546564,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546565,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,389.24458,[M-H]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546566,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,389.24458,[M-H]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546567,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,389.24458,[M-H]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546568,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546569,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546570,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,60.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546571,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,15.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546572,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,435.25006,[M+FA]-,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546573,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546574,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546575,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546576,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546577,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546578,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,60.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546579,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,15.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546580,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,20.0,test,COC(=O)CCCNC(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1
546581,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546582,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546583,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,60.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546584,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,30.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546585,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546586,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,60.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546587,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,30.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546588,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1,391.25913,[M+H]+,20.0,test,COC(=O)C(CC(C)C)NC(=O)CCCNC(=O)c1ccc(C(C)(C)C)cc1
546589,CCCCCC/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,345.24352,[M-H]-,20.0,test,CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546590,CCCCCC/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,345.24352,[M-H]-,20.0,test,CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546591,CCCCCC/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,345.24352,[M-H]-,60.0,test,CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546592,CCCCCC/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,345.24352,[M-H]-,20.0,test,CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546593,CCCCCC/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,345.24352,[M-H]-,45.0,test,CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546594,CCCCCC/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,345.24352,[M-H]-,60.0,test,CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546595,CCCCCC/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,345.24352,[M-H]-,20.0,test,CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546596,CCCCCC/C=C\CCCCCCCc1c(C(=O)O)c(O)ccc1,345.24352,[M-H]-,45.0,test,CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O
546597,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,462.24297,[M+FA]-,20.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546598,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,462.24297,[M+FA]-,20.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546599,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,462.24297,[M+FA]-,60.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546600,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,462.24297,[M+FA]-,15.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546601,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,462.24297,[M+FA]-,20.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546602,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,418.25205,[M+H]+,20.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546603,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,418.25205,[M+H]+,20.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546604,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,418.25205,[M+H]+,60.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546605,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,418.25205,[M+H]+,30.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546606,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1,418.25205,[M+H]+,20.0,test,CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1
546607,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,525.25526,[M+FA]-,20.0,test,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
546608,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,525.25526,[M+FA]-,20.0,test,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
546609,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,525.25526,[M+FA]-,60.0,test,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
546610,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,525.25526,[M+FA]-,30.0,test,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
546611,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,525.25526,[M+FA]-,20.0,test,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
546612,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,525.25526,[M+FA]-,60.0,test,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
546613,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,525.25526,[M+FA]-,30.0,test,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
546614,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,525.25526,[M+FA]-,20.0,test,C/C(=C\CCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
546615,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,415.27013,[M-H]-,20.0,test,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
546616,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,415.27013,[M-H]-,20.0,test,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
546617,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,415.27013,[M-H]-,60.0,test,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
546618,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,415.27013,[M-H]-,30.0,test,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
546619,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,415.27013,[M-H]-,20.0,test,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
546620,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,415.27013,[M-H]-,30.0,test,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
546621,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,415.27013,[M-H]-,20.0,test,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
546622,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,415.27013,[M-H]-,60.0,test,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
546623,CCCCCCCCCCCCCCCCCCN(CCO)CCO,358.36796,[M+H]+,20.0,test,CCCCCCCCCCCCCCCCCCN(CCO)CCO
546624,CCCCCCCCCCCCCCCCCCN(CCO)CCO,358.36796,[M+H]+,20.0,test,CCCCCCCCCCCCCCCCCCN(CCO)CCO
546625,CCCCCCCCCCCCCCCCCCN(CCO)CCO,358.36796,[M+H]+,60.0,test,CCCCCCCCCCCCCCCCCCN(CCO)CCO
546626,CCCCCCCCCCCCCCCCCCN(CCO)CCO,358.36796,[M+H]+,60.0,test,CCCCCCCCCCCCCCCCCCN(CCO)CCO
546627,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,437.07863,[M-H]-,20.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546628,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,437.07863,[M-H]-,20.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546629,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,437.07863,[M-H]-,60.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546630,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,437.07863,[M-H]-,20.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546631,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,437.07863,[M-H]-,60.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546632,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,437.07863,[M-H]-,20.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546633,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,439.09319,[M+H]+,20.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546634,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,439.09319,[M+H]+,20.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546635,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,439.09319,[M+H]+,60.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546636,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,439.09319,[M+H]+,60.0,test,N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)c2c1C1CC1
546637,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,403.06551,[M-H]-,20.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546638,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,403.06551,[M-H]-,20.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546639,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,403.06551,[M-H]-,60.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546640,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,403.06551,[M-H]-,20.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546641,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,403.06551,[M-H]-,45.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546642,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,403.06551,[M-H]-,60.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546643,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,403.06551,[M-H]-,20.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546644,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,403.06551,[M-H]-,45.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546645,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,405.08006,[M+H]+,20.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546646,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,405.08006,[M+H]+,20.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546647,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,405.08006,[M+H]+,15.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546648,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,405.08006,[M+H]+,60.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546649,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,405.08006,[M+H]+,30.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546650,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,405.08006,[M+H]+,20.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546651,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,405.08006,[M+H]+,60.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546652,O=C(/C=C/c1cc(F)cnc1)c1c(-c2ccccc2)c2c(ccc(Cl)c2)[nH]c1=O,405.08006,[M+H]+,20.0,test,O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
546653,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,467.0728,[M-H]-,20.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546654,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,467.0728,[M-H]-,20.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546655,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,467.0728,[M-H]-,60.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546656,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,467.0728,[M-H]-,20.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546657,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,467.0728,[M-H]-,60.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546658,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,467.0728,[M-H]-,20.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546659,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,469.08735,[M+H]+,20.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546660,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,469.08735,[M+H]+,20.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546661,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,469.08735,[M+H]+,60.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546662,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,469.08735,[M+H]+,20.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546663,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,469.08735,[M+H]+,45.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546664,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,469.08735,[M+H]+,60.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546665,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,469.08735,[M+H]+,20.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546666,Nc1nccc(Oc2c(F)cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2)c1Cl,469.08735,[M+H]+,45.0,test,Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
546667,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,547.10219,[M-H]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546668,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,547.10219,[M-H]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546669,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,547.10219,[M-H]-,60.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546670,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,547.10219,[M-H]-,15.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546671,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,547.10219,[M-H]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546672,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,547.10219,[M-H]-,60.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546673,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,547.10219,[M-H]-,15.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546674,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,547.10219,[M-H]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546675,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,583.07887,[M+Cl]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546676,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,583.07887,[M+Cl]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546677,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,583.07887,[M+Cl]-,60.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546678,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,583.07887,[M+Cl]-,30.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546679,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,583.07887,[M+Cl]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546680,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,593.10767,[M+FA]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546681,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,593.10767,[M+FA]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546682,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,593.10767,[M+FA]-,60.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546683,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,593.10767,[M+FA]-,15.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546684,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,593.10767,[M+FA]-,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546685,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,549.11674,[M+H]+,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546686,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,549.11674,[M+H]+,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546687,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,549.11674,[M+H]+,60.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546688,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,549.11674,[M+H]+,20.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546689,CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3c(F)ccc(C(F)(C(F)(F)F)C(F)(F)F)c3)cc2)c1,549.11674,[M+H]+,45.0,test,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3F)cc2)ccn1
546690,COC(=O)Nc1c(F)ccc(NC(=O)c2cc3c(cc2)c(=O)n(-c2ccccc2)c(=O)[nH]3)c1,447.11102,[M-H]-,30.0,test,COC(=O)Nc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)ccc1F
546691,COC(=O)Nc1c(F)ccc(NC(=O)c2cc3c(cc2)c(=O)n(-c2ccccc2)c(=O)[nH]3)c1,447.11102,[M-H]-,30.0,test,COC(=O)Nc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)ccc1F
546692,COC(=O)Nc1c(F)ccc(NC(=O)c2cc3c(cc2)c(=O)n(-c2ccccc2)c(=O)[nH]3)c1,447.11102,[M-H]-,20.0,test,COC(=O)Nc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)ccc1F
546693,COC(=O)Nc1c(F)ccc(NC(=O)c2cc3c(cc2)c(=O)n(-c2ccccc2)c(=O)[nH]3)c1,447.11102,[M-H]-,60.0,test,COC(=O)Nc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)ccc1F
546694,COC(=O)Nc1c(F)ccc(NC(=O)c2cc3c(cc2)c(=O)n(-c2ccccc2)c(=O)[nH]3)c1,447.11102,[M-H]-,30.0,test,COC(=O)Nc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)ccc1F
546695,COc1cn(-c2c(F)cc(-n3cccn3)cc2)nc(-c2ccnn2-c2ccccc2)c1=O,429.14698,[M+H]+,20.0,test,COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
546696,COc1cn(-c2c(F)cc(-n3cccn3)cc2)nc(-c2ccnn2-c2ccccc2)c1=O,429.14698,[M+H]+,20.0,test,COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
546697,COc1cn(-c2c(F)cc(-n3cccn3)cc2)nc(-c2ccnn2-c2ccccc2)c1=O,429.14698,[M+H]+,60.0,test,COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
546698,COc1cn(-c2c(F)cc(-n3cccn3)cc2)nc(-c2ccnn2-c2ccccc2)c1=O,429.14698,[M+H]+,20.0,test,COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
546699,COc1cn(-c2c(F)cc(-n3cccn3)cc2)nc(-c2ccnn2-c2ccccc2)c1=O,429.14698,[M+H]+,60.0,test,COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
546700,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,370.10848,[M-H]-,20.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546701,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,370.10848,[M-H]-,20.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546702,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,370.10848,[M-H]-,45.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546703,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,370.10848,[M-H]-,60.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546704,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,370.10848,[M-H]-,20.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546705,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,370.10848,[M-H]-,45.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546706,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,370.10848,[M-H]-,60.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546707,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,370.10848,[M-H]-,20.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546708,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,372.12303,[M+H]+,20.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546709,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,372.12303,[M+H]+,20.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546710,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,372.12303,[M+H]+,60.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546711,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,372.12303,[M+H]+,30.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546712,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1,372.12303,[M+H]+,20.0,test,COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1
546713,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,530.02129,[M-H]-,20.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546714,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,530.02129,[M-H]-,20.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546715,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,530.02129,[M-H]-,60.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546716,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,530.02129,[M-H]-,30.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546717,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,530.02129,[M-H]-,20.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546718,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,530.02129,[M-H]-,60.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546719,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,530.02129,[M-H]-,30.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546720,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,530.02129,[M-H]-,20.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546721,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,565.99797,[M+Cl]-,15.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546722,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,565.99797,[M+Cl]-,15.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546723,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,565.99797,[M+Cl]-,60.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546724,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,565.99797,[M+Cl]-,20.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546725,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,565.99797,[M+Cl]-,15.0,test,CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
546726,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,579.01768,[M-H]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546727,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,579.01768,[M-H]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546728,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,579.01768,[M-H]-,30.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546729,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,579.01768,[M-H]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546730,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,614.99436,[M+Cl]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546731,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,614.99436,[M+Cl]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546732,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,614.99436,[M+Cl]-,15.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546733,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,614.99436,[M+Cl]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546734,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,625.02316,[M+FA]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546735,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,625.02316,[M+FA]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546736,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,625.02316,[M+FA]-,60.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546737,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,625.02316,[M+FA]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546738,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,625.02316,[M+FA]-,60.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546739,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1c2ccc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c1,625.02316,[M+FA]-,20.0,test,CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12
546740,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546741,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546742,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,60.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546743,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546744,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,45.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546745,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,60.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546746,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546747,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,45.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546748,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546749,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546750,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,60.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546751,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546752,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,45.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546753,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,60.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546754,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546755,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,45.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546756,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546757,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546758,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,60.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546759,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546760,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,45.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546761,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,60.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546762,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546763,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,488.06527,[M-H]-,45.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546764,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546765,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546766,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,60.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546767,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546768,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,45.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546769,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,60.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546770,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,20.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546771,CCCS(=O)(=O)Nc1c(F)c(C(=O)c2c[nH]c3c2cc(-c2ccc(Cl)cc2)cn3)c(F)cc1,490.07982,[M+H]+,45.0,test,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
546772,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,434.09131,[M-H]-,20.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546773,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,434.09131,[M-H]-,20.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546774,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,434.09131,[M-H]-,60.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546775,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,434.09131,[M-H]-,15.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546776,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,434.09131,[M-H]-,20.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546777,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,436.10586,[M+H]+,20.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546778,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,436.10586,[M+H]+,20.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546779,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,436.10586,[M+H]+,60.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546780,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,436.10586,[M+H]+,15.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546781,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O,436.10586,[M+H]+,20.0,test,O=C(O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
546782,Cc1cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c(C)cc1,431.11724,[M+H]+,20.0,test,Cc1ccc(C)c(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1
546783,Cc1cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c(C)cc1,431.11724,[M+H]+,20.0,test,Cc1ccc(C)c(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1
546784,Cc1cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c(C)cc1,431.11724,[M+H]+,60.0,test,Cc1ccc(C)c(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1
546785,Cc1cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c(C)cc1,431.11724,[M+H]+,30.0,test,Cc1ccc(C)c(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1
546786,Cc1cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c(C)cc1,431.11724,[M+H]+,20.0,test,Cc1ccc(C)c(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1
546787,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,491.0894,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546788,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,491.0894,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546789,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,491.0894,[M-H]-,60.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546790,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,491.0894,[M-H]-,20.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546791,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,491.0894,[M-H]-,45.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546792,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,493.10395,[M+H]+,20.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546793,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,493.10395,[M+H]+,20.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546794,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,493.10395,[M+H]+,60.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546795,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,493.10395,[M+H]+,20.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546796,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,493.10395,[M+H]+,45.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546797,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,493.10395,[M+H]+,60.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546798,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,493.10395,[M+H]+,20.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546799,O=C(Nc1cc2c(cc1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,493.10395,[M+H]+,45.0,test,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
546800,Cc1c(NC(=O)c2c3ncccn3nc2)ccc(NC(=O)c2nn(C)c3ccccc23)c1,426.1673,[M+H]+,20.0,test,Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2cccnc12
546801,Cc1c(NC(=O)c2c3ncccn3nc2)ccc(NC(=O)c2nn(C)c3ccccc23)c1,426.1673,[M+H]+,20.0,test,Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2cccnc12
546802,Cc1c(NC(=O)c2c3ncccn3nc2)ccc(NC(=O)c2nn(C)c3ccccc23)c1,426.1673,[M+H]+,60.0,test,Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2cccnc12
546803,Cc1c(NC(=O)c2c3ncccn3nc2)ccc(NC(=O)c2nn(C)c3ccccc23)c1,426.1673,[M+H]+,30.0,test,Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2cccnc12
546804,Cc1c(NC(=O)c2c3ncccn3nc2)ccc(NC(=O)c2nn(C)c3ccccc23)c1,426.1673,[M+H]+,20.0,test,Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2cccnc12
546805,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,433.15939,[M-H]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546806,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,433.15939,[M-H]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546807,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,433.15939,[M-H]-,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546808,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,433.15939,[M-H]-,30.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546809,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,433.15939,[M-H]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546810,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,433.15939,[M-H]-,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546811,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,433.15939,[M-H]-,30.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546812,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,433.15939,[M-H]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546813,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,469.13607,[M+Cl]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546814,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,469.13607,[M+Cl]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546815,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,469.13607,[M+Cl]-,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546816,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,469.13607,[M+Cl]-,15.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546817,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,469.13607,[M+Cl]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546818,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,435.17394,[M+H]+,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546819,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,435.17394,[M+H]+,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546820,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,435.17394,[M+H]+,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546821,Cc1nn(-c2nnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)cc2)c(C)c1C,435.17394,[M+H]+,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546822,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,433.15939,[M-H]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546823,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,433.15939,[M-H]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546824,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,433.15939,[M-H]-,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546825,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,433.15939,[M-H]-,30.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546826,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,433.15939,[M-H]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546827,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,469.13607,[M+Cl]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546828,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,469.13607,[M+Cl]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546829,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,469.13607,[M+Cl]-,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546830,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,469.13607,[M+Cl]-,15.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546831,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,469.13607,[M+Cl]-,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546832,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,435.17394,[M+H]+,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546833,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,435.17394,[M+H]+,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546834,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,435.17394,[M+H]+,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546835,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,435.17394,[M+H]+,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546836,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,435.17394,[M+H]+,60.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546837,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C,435.17394,[M+H]+,20.0,test,Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C
546838,O=C(Nc1nnccc1)N1CCC(=Cc2cc(Oc3ncc(C(F)(F)F)cc3)ccc2)CC1,456.16419,[M+H]+,20.0,test,O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
546839,O=C(Nc1nnccc1)N1CCC(=Cc2cc(Oc3ncc(C(F)(F)F)cc3)ccc2)CC1,456.16419,[M+H]+,20.0,test,O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
546840,O=C(Nc1nnccc1)N1CCC(=Cc2cc(Oc3ncc(C(F)(F)F)cc3)ccc2)CC1,456.16419,[M+H]+,60.0,test,O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
546841,O=C(Nc1nnccc1)N1CCC(=Cc2cc(Oc3ncc(C(F)(F)F)cc3)ccc2)CC1,456.16419,[M+H]+,30.0,test,O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
546842,O=C(Nc1nnccc1)N1CCC(=Cc2cc(Oc3ncc(C(F)(F)F)cc3)ccc2)CC1,456.16419,[M+H]+,20.0,test,O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
546843,O=C(Nc1nnccc1)N1CCC(=Cc2cc(Oc3ncc(C(F)(F)F)cc3)ccc2)CC1,456.16419,[M+H]+,60.0,test,O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
546844,O=C(Nc1nnccc1)N1CCC(=Cc2cc(Oc3ncc(C(F)(F)F)cc3)ccc2)CC1,456.16419,[M+H]+,30.0,test,O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
546845,O=C(Nc1nnccc1)N1CCC(=Cc2cc(Oc3ncc(C(F)(F)F)cc3)ccc2)CC1,456.16419,[M+H]+,20.0,test,O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
546846,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,429.15683,[M+FA]-,20.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546847,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,429.15683,[M+FA]-,20.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546848,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,429.15683,[M+FA]-,60.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546849,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,429.15683,[M+FA]-,15.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546850,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,429.15683,[M+FA]-,20.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546851,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,385.1659,[M+H]+,20.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546852,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,385.1659,[M+H]+,20.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546853,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,385.1659,[M+H]+,60.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546854,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,385.1659,[M+H]+,30.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546855,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,385.1659,[M+H]+,20.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546856,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,385.1659,[M+H]+,30.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546857,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,385.1659,[M+H]+,20.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546858,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1,385.1659,[M+H]+,60.0,test,O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc2ccccc2c1
546859,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1,481.08698,[M+H]+,20.0,test,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1
546860,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1,481.08698,[M+H]+,20.0,test,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1
546861,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1,481.08698,[M+H]+,60.0,test,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1
546862,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1,481.08698,[M+H]+,30.0,test,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1
546863,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1,481.08698,[M+H]+,20.0,test,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1
546864,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1,481.08698,[M+H]+,30.0,test,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1
546865,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1,481.08698,[M+H]+,20.0,test,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1
546866,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1,481.08698,[M+H]+,60.0,test,CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1
546867,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,437.12736,[M+FA]-,20.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546868,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,437.12736,[M+FA]-,15.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546869,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,437.12736,[M+FA]-,60.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546870,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,393.13643,[M+H]+,20.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546871,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,393.13643,[M+H]+,20.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546872,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,393.13643,[M+H]+,30.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546873,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,393.13643,[M+H]+,60.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546874,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,393.13643,[M+H]+,15.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546875,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,393.13643,[M+H]+,20.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546876,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,393.13643,[M+H]+,60.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546877,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1,393.13643,[M+H]+,20.0,test,O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2Cl)C1
546878,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,423.11171,[M-H]-,20.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546879,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,423.11171,[M-H]-,20.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546880,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,423.11171,[M-H]-,60.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546881,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,423.11171,[M-H]-,30.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546882,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,423.11171,[M-H]-,20.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546883,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,423.11171,[M-H]-,30.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546884,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,423.11171,[M-H]-,20.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546885,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,425.12626,[M+H]+,20.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546886,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,425.12626,[M+H]+,20.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546887,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,425.12626,[M+H]+,60.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546888,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,425.12626,[M+H]+,30.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546889,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,425.12626,[M+H]+,20.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546890,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,425.12626,[M+H]+,60.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546891,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,425.12626,[M+H]+,30.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546892,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1,425.12626,[M+H]+,20.0,test,COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1
546893,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1,425.12626,[M+H]+,20.0,test,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1
546894,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1,425.12626,[M+H]+,20.0,test,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1
546895,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1,425.12626,[M+H]+,30.0,test,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1
546896,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1,425.12626,[M+H]+,60.0,test,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1
546897,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1,425.12626,[M+H]+,15.0,test,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1
546898,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1,425.12626,[M+H]+,20.0,test,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1
546899,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1,425.12626,[M+H]+,60.0,test,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1
546900,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1,425.12626,[M+H]+,20.0,test,O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2cccc(Cl)c2)CC1
546901,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,20.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546902,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,20.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546903,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,60.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546904,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,30.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546905,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,20.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546906,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,30.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546907,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,30.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546908,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,20.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546909,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,60.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546910,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,30.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546911,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,20.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546912,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,20.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546913,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,60.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546914,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,30.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546915,COCCOc1nc(-c2cnc(Cl)cc2)nc2c1CN(C(=O)c1c3ccccn3cn1)CC2,465.14364,[M+H]+,20.0,test,COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2
546916,Cc1ccc(-c2c(COc3ccc(CCC(=O)O)cc3)cc(F)cc2)cc1,363.1402,[M-H]-,20.0,test,Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1
546917,Cc1ccc(-c2c(COc3ccc(CCC(=O)O)cc3)cc(F)cc2)cc1,363.1402,[M-H]-,20.0,test,Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1
546918,Cc1ccc(-c2c(COc3ccc(CCC(=O)O)cc3)cc(F)cc2)cc1,363.1402,[M-H]-,60.0,test,Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1
546919,Cc1ccc(-c2c(COc3ccc(CCC(=O)O)cc3)cc(F)cc2)cc1,363.1402,[M-H]-,30.0,test,Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1
546920,Cc1ccc(-c2c(COc3ccc(CCC(=O)O)cc3)cc(F)cc2)cc1,363.1402,[M-H]-,20.0,test,Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1
546921,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21,406.11185,[M-H]-,20.0,test,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21
546922,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21,406.11185,[M-H]-,20.0,test,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21
546923,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21,406.11185,[M-H]-,60.0,test,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21
546924,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21,406.11185,[M-H]-,30.0,test,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21
546925,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21,406.11185,[M-H]-,20.0,test,O=C(O)C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21
546926,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,500.07142,[M+FA]-,20.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546927,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,500.07142,[M+FA]-,60.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546928,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,500.07142,[M+FA]-,15.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546929,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,500.07142,[M+FA]-,20.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546930,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,456.0805,[M+H]+,20.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546931,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,456.0805,[M+H]+,20.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546932,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,456.0805,[M+H]+,60.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546933,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,456.0805,[M+H]+,20.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546934,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1,456.0805,[M+H]+,45.0,test,Cc1cc(C)cc(Oc2ccc(NC(=O)C3C4CC5C(OC(=O)C53)C4Br)cc2)c1
546935,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,422.12769,[M-H]-,20.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546936,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,422.12769,[M-H]-,20.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546937,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,422.12769,[M-H]-,60.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546938,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,422.12769,[M-H]-,15.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546939,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,422.12769,[M-H]-,20.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546940,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,424.14225,[M+H]+,20.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546941,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,424.14225,[M+H]+,20.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546942,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,424.14225,[M+H]+,60.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546943,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,424.14225,[M+H]+,15.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546944,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1,424.14225,[M+H]+,20.0,test,C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1
546945,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,455.15364,[M-H]-,20.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546946,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,455.15364,[M-H]-,20.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546947,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,455.15364,[M-H]-,60.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546948,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,455.15364,[M-H]-,30.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546949,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,455.15364,[M-H]-,20.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546950,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,455.15364,[M-H]-,60.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546951,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,455.15364,[M-H]-,30.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546952,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,455.15364,[M-H]-,20.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546953,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,457.16819,[M+H]+,20.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546954,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,457.16819,[M+H]+,20.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546955,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,457.16819,[M+H]+,60.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546956,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4)o3)cc2)CC1,457.16819,[M+H]+,30.0,test,O=C(O)CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
546957,NCc1cc2c(cc1)n(CCCC(F)(F)F)c(CN1C(=O)C3(CC3)c3c1cc(F)cc3)n2,447.18025,[M+H]+,20.0,test,NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F
546958,NCc1cc2c(cc1)n(CCCC(F)(F)F)c(CN1C(=O)C3(CC3)c3c1cc(F)cc3)n2,447.18025,[M+H]+,20.0,test,NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F
546959,NCc1cc2c(cc1)n(CCCC(F)(F)F)c(CN1C(=O)C3(CC3)c3c1cc(F)cc3)n2,447.18025,[M+H]+,60.0,test,NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F
546960,NCc1cc2c(cc1)n(CCCC(F)(F)F)c(CN1C(=O)C3(CC3)c3c1cc(F)cc3)n2,447.18025,[M+H]+,20.0,test,NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F
546961,NCc1cc2c(cc1)n(CCCC(F)(F)F)c(CN1C(=O)C3(CC3)c3c1cc(F)cc3)n2,447.18025,[M+H]+,45.0,test,NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F
546962,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3c(cc(F)cc3)c2=O)cc1,380.16565,[M+H]+,20.0,test,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3ccc(F)cc3c2=O)cc1
546963,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3c(cc(F)cc3)c2=O)cc1,380.16565,[M+H]+,20.0,test,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3ccc(F)cc3c2=O)cc1
546964,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3c(cc(F)cc3)c2=O)cc1,380.16565,[M+H]+,60.0,test,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3ccc(F)cc3c2=O)cc1
546965,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3c(cc(F)cc3)c2=O)cc1,380.16565,[M+H]+,20.0,test,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3ccc(F)cc3c2=O)cc1
546966,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3c(cc(F)cc3)c2=O)cc1,380.16565,[M+H]+,45.0,test,Cc1ccc(C(=O)c2cn(CC3CCCOC3)c3ccc(F)cc3c2=O)cc1
546967,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1,391.14747,[M+H]+,20.0,test,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1
546968,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1,391.14747,[M+H]+,20.0,test,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1
546969,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1,391.14747,[M+H]+,60.0,test,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1
546970,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1,391.14747,[M+H]+,15.0,test,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1
546971,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1,391.14747,[M+H]+,20.0,test,Cc1ccc(CSCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1
546972,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1,391.14747,[M+H]+,20.0,test,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1
546973,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1,391.14747,[M+H]+,20.0,test,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1
546974,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1,391.14747,[M+H]+,60.0,test,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1
546975,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1,391.14747,[M+H]+,15.0,test,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1
546976,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1,391.14747,[M+H]+,20.0,test,O=C(c1cccc2ccccc12)N1CCN(C(=O)C2CC2c2cccs2)CC1
546977,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl,416.14232,[M+H]+,20.0,test,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl
546978,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl,416.14232,[M+H]+,20.0,test,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl
546979,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl,416.14232,[M+H]+,60.0,test,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl
546980,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl,416.14232,[M+H]+,15.0,test,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl
546981,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl,416.14232,[M+H]+,20.0,test,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl
546982,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl,416.14232,[M+H]+,60.0,test,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl
546983,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl,416.14232,[M+H]+,20.0,test,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl
546984,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl,416.14232,[M+H]+,15.0,test,COc1cc(CNCC(O)c2ccccc2)ccc1OCc1c(F)cccc1Cl
546985,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,372.17175,[M-H]-,20.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546986,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,372.17175,[M-H]-,20.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546987,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,372.17175,[M-H]-,60.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546988,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,372.17175,[M-H]-,45.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546989,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21,374.1863,[M+H]+,20.0,test,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21
546990,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21,374.1863,[M+H]+,20.0,test,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21
546991,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21,374.1863,[M+H]+,60.0,test,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21
546992,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21,374.1863,[M+H]+,15.0,test,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21
546993,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21,374.1863,[M+H]+,20.0,test,O=C(CN1C(=O)C2CCCC2=Nc2ccccc21)NC1CCc2ccccc21
546994,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,374.1863,[M+H]+,20.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546995,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,374.1863,[M+H]+,20.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546996,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,374.1863,[M+H]+,60.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546997,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,374.1863,[M+H]+,20.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546998,CCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CC)cc3)ccc2)cc1,374.1863,[M+H]+,45.0,test,CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CC)cc3)n2)cc1
546999,COc1ccc(-n2nc(-c3cc4c(cc3)OC(C)(C)CC4)cc2CC#N)cc1,374.1863,[M+H]+,20.0,test,COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1
547000,COc1ccc(-n2nc(-c3cc4c(cc3)OC(C)(C)CC4)cc2CC#N)cc1,374.1863,[M+H]+,20.0,test,COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1
547001,COc1ccc(-n2nc(-c3cc4c(cc3)OC(C)(C)CC4)cc2CC#N)cc1,374.1863,[M+H]+,60.0,test,COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1
547002,COc1ccc(-n2nc(-c3cc4c(cc3)OC(C)(C)CC4)cc2CC#N)cc1,374.1863,[M+H]+,20.0,test,COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1
547003,COc1ccc(-n2nc(-c3cc4c(cc3)OC(C)(C)CC4)cc2CC#N)cc1,374.1863,[M+H]+,45.0,test,COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1
547004,COc1ccc(-n2nc(-c3cc4c(cc3)OC(C)(C)CC4)cc2CC#N)cc1,374.1863,[M+H]+,60.0,test,COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1
547005,COc1ccc(-n2nc(-c3cc4c(cc3)OC(C)(C)CC4)cc2CC#N)cc1,374.1863,[M+H]+,20.0,test,COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1
547006,COc1ccc(-n2nc(-c3cc4c(cc3)OC(C)(C)CC4)cc2CC#N)cc1,374.1863,[M+H]+,45.0,test,COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1
547007,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,372.17175,[M-H]-,20.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547008,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,372.17175,[M-H]-,20.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547009,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,372.17175,[M-H]-,60.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547010,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,372.17175,[M-H]-,20.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547011,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,372.17175,[M-H]-,45.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547012,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,374.1863,[M+H]+,20.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547013,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,374.1863,[M+H]+,20.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547014,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,374.1863,[M+H]+,60.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547015,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,374.1863,[M+H]+,30.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547016,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,374.1863,[M+H]+,20.0,test,CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
547017,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1,374.1863,[M+H]+,20.0,test,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1
547018,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1,374.1863,[M+H]+,20.0,test,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1
547019,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1,374.1863,[M+H]+,60.0,test,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1
547020,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1,374.1863,[M+H]+,15.0,test,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1
547021,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1,374.1863,[M+H]+,20.0,test,O=C(C1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1
547022,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,356.17574,[M+H-H2O]+,20.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547023,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,356.17574,[M+H-H2O]+,20.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547024,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,356.17574,[M+H-H2O]+,60.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547025,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,356.17574,[M+H-H2O]+,20.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547026,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,356.17574,[M+H-H2O]+,60.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547027,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,374.1863,[M+H]+,20.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547028,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,374.1863,[M+H]+,20.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547029,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,374.1863,[M+H]+,60.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547030,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,374.1863,[M+H]+,15.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547031,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,374.1863,[M+H]+,20.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547032,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,374.1863,[M+H]+,60.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547033,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,374.1863,[M+H]+,20.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547034,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2,374.1863,[M+H]+,15.0,test,O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2
547035,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,496.11187,[M-H]-,20.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547036,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,496.11187,[M-H]-,20.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547037,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,496.11187,[M-H]-,45.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547038,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,496.11187,[M-H]-,60.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547039,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,496.11187,[M-H]-,20.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547040,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,496.11187,[M-H]-,60.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547041,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,496.11187,[M-H]-,20.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547042,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,498.12642,[M+H]+,20.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547043,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,498.12642,[M+H]+,20.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547044,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,498.12642,[M+H]+,45.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547045,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,498.12642,[M+H]+,60.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547046,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1,498.12642,[M+H]+,20.0,test,CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
547047,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,420.18413,[M-H]-,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547048,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,420.18413,[M-H]-,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547049,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,420.18413,[M-H]-,60.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547050,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,420.18413,[M-H]-,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547051,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,420.18413,[M-H]-,45.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547052,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,420.18413,[M-H]-,60.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547053,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,420.18413,[M-H]-,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547054,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,420.18413,[M-H]-,45.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547055,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,456.1608,[M+Cl]-,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547056,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,456.1608,[M+Cl]-,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547057,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,456.1608,[M+Cl]-,60.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547058,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,456.1608,[M+Cl]-,15.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547059,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,456.1608,[M+Cl]-,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547060,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,422.19868,[M+H]+,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547061,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,422.19868,[M+H]+,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547062,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,422.19868,[M+H]+,60.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547063,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,422.19868,[M+H]+,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547064,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,422.19868,[M+H]+,45.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547065,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,422.19868,[M+H]+,60.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547066,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,422.19868,[M+H]+,20.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547067,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2c(ccc(F)c2)[nH]1,422.19868,[M+H]+,45.0,test,O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1
547068,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1,422.19868,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
547069,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1,422.19868,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
547070,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1,422.19868,[M+H]+,60.0,test,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
547071,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1,422.19868,[M+H]+,30.0,test,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
547072,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1,422.19868,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
547073,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1,422.19868,[M+H]+,30.0,test,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
547074,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1,422.19868,[M+H]+,60.0,test,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
547075,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1,422.19868,[M+H]+,20.0,test,O=C(Cc1ccc(F)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1
547076,C[C@@]1(C(=O)Nc2cnc(F)cc2)CCCN1c1nn2cccc2c(Nc2n[nH]c(C3CC3)c2)n1,462.21606,[M+H]+,20.0,test,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
547077,C[C@@]1(C(=O)Nc2cnc(F)cc2)CCCN1c1nn2cccc2c(Nc2n[nH]c(C3CC3)c2)n1,462.21606,[M+H]+,20.0,test,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
547078,C[C@@]1(C(=O)Nc2cnc(F)cc2)CCCN1c1nn2cccc2c(Nc2n[nH]c(C3CC3)c2)n1,462.21606,[M+H]+,60.0,test,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
547079,C[C@@]1(C(=O)Nc2cnc(F)cc2)CCCN1c1nn2cccc2c(Nc2n[nH]c(C3CC3)c2)n1,462.21606,[M+H]+,15.0,test,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
547080,C[C@@]1(C(=O)Nc2cnc(F)cc2)CCCN1c1nn2cccc2c(Nc2n[nH]c(C3CC3)c2)n1,462.21606,[M+H]+,20.0,test,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
547081,C[C@@]1(C(=O)Nc2cnc(F)cc2)CCCN1c1nn2cccc2c(Nc2n[nH]c(C3CC3)c2)n1,462.21606,[M+H]+,60.0,test,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
547082,C[C@@]1(C(=O)Nc2cnc(F)cc2)CCCN1c1nn2cccc2c(Nc2n[nH]c(C3CC3)c2)n1,462.21606,[M+H]+,20.0,test,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
547083,NC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1,437.17181,[M+FA]-,15.0,test,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
547084,NC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1,437.17181,[M+FA]-,20.0,test,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
547085,NC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1,437.17181,[M+FA]-,60.0,test,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
547086,NC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1,393.18088,[M+H]+,20.0,test,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
547087,NC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1,393.18088,[M+H]+,20.0,test,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
547088,NC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1,393.18088,[M+H]+,60.0,test,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
547089,NC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1,393.18088,[M+H]+,15.0,test,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
547090,NC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1,393.18088,[M+H]+,20.0,test,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
547091,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C,393.18088,[M+H]+,20.0,test,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C
547092,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C,393.18088,[M+H]+,20.0,test,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C
547093,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C,393.18088,[M+H]+,60.0,test,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C
547094,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C,393.18088,[M+H]+,15.0,test,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C
547095,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C,393.18088,[M+H]+,20.0,test,CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C
547096,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,521.13006,[M+FA]-,20.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547097,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,521.13006,[M+FA]-,20.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547098,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,521.13006,[M+FA]-,60.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547099,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,521.13006,[M+FA]-,15.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547100,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,521.13006,[M+FA]-,20.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547101,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,477.13914,[M+H]+,20.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547102,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,477.13914,[M+H]+,20.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547103,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,477.13914,[M+H]+,60.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547104,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,477.13914,[M+H]+,30.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547105,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,477.13914,[M+H]+,20.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547106,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,477.13914,[M+H]+,60.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547107,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,477.13914,[M+H]+,30.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547108,COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,477.13914,[M+H]+,20.0,test,COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
547109,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,475.12459,[M-H]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547110,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,475.12459,[M-H]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547111,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,475.12459,[M-H]-,60.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547112,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,475.12459,[M-H]-,30.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547113,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,475.12459,[M-H]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547114,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,521.13006,[M+FA]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547115,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,521.13006,[M+FA]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547116,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,521.13006,[M+FA]-,60.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547117,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,521.13006,[M+FA]-,15.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547118,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,521.13006,[M+FA]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547119,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,521.13006,[M+FA]-,60.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547120,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,521.13006,[M+FA]-,15.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547121,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,521.13006,[M+FA]-,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547122,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,477.13914,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547123,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,477.13914,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547124,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,477.13914,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547125,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,477.13914,[M+H]+,15.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547126,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,477.13914,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547127,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,477.13914,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547128,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,477.13914,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547129,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,477.13914,[M+H]+,15.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
547130,COc1c(OC)cc2c(c1)OCC1Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C21O,427.13984,[M-H]-,20.0,test,COc1cc2c(cc1OC)C1(O)C(=O)c3c(O)cc(O)c(CC=C(C)C)c3OC1CO2
547131,COc1c(OC)cc2c(c1)OCC1Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C21O,427.13984,[M-H]-,20.0,test,COc1cc2c(cc1OC)C1(O)C(=O)c3c(O)cc(O)c(CC=C(C)C)c3OC1CO2
547132,COc1c(OC)cc2c(c1)OCC1Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C21O,427.13984,[M-H]-,60.0,test,COc1cc2c(cc1OC)C1(O)C(=O)c3c(O)cc(O)c(CC=C(C)C)c3OC1CO2
547133,COc1c(OC)cc2c(c1)OCC1Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C21O,427.13984,[M-H]-,20.0,test,COc1cc2c(cc1OC)C1(O)C(=O)c3c(O)cc(O)c(CC=C(C)C)c3OC1CO2
547134,COc1c(OC)cc2c(c1)OCC1Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C21O,427.13984,[M-H]-,45.0,test,COc1cc2c(cc1OC)C1(O)C(=O)c3c(O)cc(O)c(CC=C(C)C)c3OC1CO2
547135,COc1c(OC)cc2c(c1)OC[C@H]1Oc3c(ccc4c3C[C@H](C(C)(C)O)O4)C(=O)[C@@]21O,411.14383,[M+H-H2O]+,20.0,test,COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)(C)O)O4
547136,COc1c(OC)cc2c(c1)OC[C@H]1Oc3c(ccc4c3C[C@H](C(C)(C)O)O4)C(=O)[C@@]21O,411.14383,[M+H-H2O]+,20.0,test,COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)(C)O)O4
547137,COc1c(OC)cc2c(c1)OC[C@H]1Oc3c(ccc4c3C[C@H](C(C)(C)O)O4)C(=O)[C@@]21O,411.14383,[M+H-H2O]+,60.0,test,COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)(C)O)O4
547138,COc1c(OC)cc2c(c1)OC[C@H]1Oc3c(ccc4c3C[C@H](C(C)(C)O)O4)C(=O)[C@@]21O,411.14383,[M+H-H2O]+,20.0,test,COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)(C)O)O4
547139,COc1c(OC)cc2c(c1)OC[C@H]1Oc3c(ccc4c3C[C@H](C(C)(C)O)O4)C(=O)[C@@]21O,411.14383,[M+H-H2O]+,45.0,test,COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)(C)O)O4
547140,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12,446.17083,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12
547141,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12,446.17083,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12
547142,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12,446.17083,[M+H]+,60.0,test,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12
547143,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12,446.17083,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12
547144,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12,446.17083,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12
547145,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12,446.17083,[M+H]+,60.0,test,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12
547146,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12,446.17083,[M+H]+,30.0,test,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12
547147,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12,446.17083,[M+H]+,20.0,test,Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc12
547148,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,415.21041,[M+H]+,20.0,test,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
547149,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,415.21041,[M+H]+,20.0,test,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
547150,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,415.21041,[M+H]+,60.0,test,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
547151,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,415.21041,[M+H]+,20.0,test,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
547152,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,415.21041,[M+H]+,45.0,test,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
547153,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,415.21041,[M+H]+,60.0,test,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
547154,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,415.21041,[M+H]+,20.0,test,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
547155,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,415.21041,[M+H]+,45.0,test,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
547156,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,438.1493,[M-H]-,20.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547157,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,438.1493,[M-H]-,20.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547158,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,438.1493,[M-H]-,60.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547159,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,438.1493,[M-H]-,15.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547160,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,438.1493,[M-H]-,20.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547161,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,484.15478,[M+FA]-,15.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547162,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,484.15478,[M+FA]-,15.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547163,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,484.15478,[M+FA]-,20.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547164,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,484.15478,[M+FA]-,60.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547165,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,484.15478,[M+FA]-,15.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547166,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,440.16385,[M+H]+,20.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547167,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,440.16385,[M+H]+,20.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547168,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,440.16385,[M+H]+,60.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547169,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,440.16385,[M+H]+,30.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547170,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,440.16385,[M+H]+,20.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547171,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,440.16385,[M+H]+,60.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547172,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,440.16385,[M+H]+,30.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547173,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1,440.16385,[M+H]+,20.0,test,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)C(O)C(O)c1nc2ccccc2s1
547174,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,438.1493,[M-H]-,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547175,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,438.1493,[M-H]-,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547176,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,438.1493,[M-H]-,60.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547177,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,438.1493,[M-H]-,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547178,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,438.1493,[M-H]-,45.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547179,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,438.1493,[M-H]-,60.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547180,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,438.1493,[M-H]-,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547181,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,474.12598,[M+Cl]-,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547182,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,474.12598,[M+Cl]-,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547183,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,474.12598,[M+Cl]-,60.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547184,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,474.12598,[M+Cl]-,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547185,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,440.16385,[M+H]+,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547186,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,440.16385,[M+H]+,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547187,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,440.16385,[M+H]+,60.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547188,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,440.16385,[M+H]+,20.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547189,O=c1[nH]c2c(Cc3c-2ccc(S(=O)(=O)NCCCN2CCOCC2)c3)c2ccccc12,440.16385,[M+H]+,45.0,test,O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
547190,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,438.1493,[M-H]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547191,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,438.1493,[M-H]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547192,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,438.1493,[M-H]-,45.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547193,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,438.1493,[M-H]-,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547194,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,438.1493,[M-H]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547195,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,438.1493,[M-H]-,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547196,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,438.1493,[M-H]-,45.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547197,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,438.1493,[M-H]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547198,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,474.12598,[M+Cl]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547199,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,474.12598,[M+Cl]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547200,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,474.12598,[M+Cl]-,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547201,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,474.12598,[M+Cl]-,15.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547202,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,474.12598,[M+Cl]-,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547203,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,438.1493,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547204,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,438.1493,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547205,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,438.1493,[M-H]-,45.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547206,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,438.1493,[M-H]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547207,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,438.1493,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547208,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,438.1493,[M-H]-,45.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547209,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,438.1493,[M-H]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547210,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,438.1493,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547211,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,474.12598,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547212,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,474.12598,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547213,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,474.12598,[M+Cl]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547214,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,474.12598,[M+Cl]-,15.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547215,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,474.12598,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547216,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,438.1493,[M-H]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547217,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,438.1493,[M-H]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547218,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,438.1493,[M-H]-,60.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547219,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,438.1493,[M-H]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547220,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,438.1493,[M-H]-,60.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547221,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,438.1493,[M-H]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547222,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,474.12598,[M+Cl]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547223,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,474.12598,[M+Cl]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547224,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,474.12598,[M+Cl]-,60.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547225,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,484.15478,[M+FA]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547226,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,484.15478,[M+FA]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547227,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,484.15478,[M+FA]-,15.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547228,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,484.15478,[M+FA]-,60.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547229,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,484.15478,[M+FA]-,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547230,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,484.15478,[M+FA]-,20.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547231,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,484.15478,[M+FA]-,20.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547232,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,484.15478,[M+FA]-,60.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547233,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,484.15478,[M+FA]-,15.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547234,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,484.15478,[M+FA]-,20.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547235,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1,440.16385,[M+H]+,20.0,test,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1
547236,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1,440.16385,[M+H]+,20.0,test,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1
547237,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1,440.16385,[M+H]+,60.0,test,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1
547238,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1,440.16385,[M+H]+,15.0,test,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1
547239,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1,440.16385,[M+H]+,20.0,test,CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1
547240,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,440.16385,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547241,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,440.16385,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547242,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,440.16385,[M+H]+,30.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547243,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,440.16385,[M+H]+,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547244,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,440.16385,[M+H]+,15.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547245,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,440.16385,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547246,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,440.16385,[M+H]+,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547247,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1,440.16385,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1
547248,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,440.16385,[M+H]+,30.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547249,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,440.16385,[M+H]+,30.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547250,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,440.16385,[M+H]+,20.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547251,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,440.16385,[M+H]+,60.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547252,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,440.16385,[M+H]+,30.0,test,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
547253,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,440.16385,[M+H]+,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547254,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,440.16385,[M+H]+,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547255,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,440.16385,[M+H]+,45.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547256,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,440.16385,[M+H]+,60.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547257,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,440.16385,[M+H]+,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547258,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,440.16385,[M+H]+,45.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547259,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,440.16385,[M+H]+,60.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547260,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O,440.16385,[M+H]+,20.0,test,CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O
547261,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,440.16385,[M+H]+,20.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547262,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,440.16385,[M+H]+,20.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547263,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,440.16385,[M+H]+,60.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547264,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,440.16385,[M+H]+,30.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547265,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1,440.16385,[M+H]+,20.0,test,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n(C3CCS(=O)(=O)C3)n2)cc1
547266,CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1,332.20089,[M+H]+,20.0,test,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
547267,CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1,332.20089,[M+H]+,20.0,test,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
547268,CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1,332.20089,[M+H]+,15.0,test,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
547269,CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1,332.20089,[M+H]+,60.0,test,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
547270,CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1,332.20089,[M+H]+,30.0,test,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
547271,CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1,332.20089,[M+H]+,20.0,test,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
547272,CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1,332.20089,[M+H]+,60.0,test,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
547273,CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1,332.20089,[M+H]+,20.0,test,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
547274,CC(C)=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2ccccc21,330.18634,[M-H]-,20.0,test,CC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1
547275,CC(C)=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2ccccc21,330.18634,[M-H]-,20.0,test,CC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1
547276,CC(C)=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2ccccc21,330.18634,[M-H]-,60.0,test,CC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1
547277,CC(C)=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2ccccc21,330.18634,[M-H]-,20.0,test,CC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1
547278,CC(C)=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2ccccc21,330.18634,[M-H]-,45.0,test,CC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1
547279,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,422.17531,[M-H]-,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547280,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,422.17531,[M-H]-,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547281,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,422.17531,[M-H]-,45.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547282,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,422.17531,[M-H]-,60.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547283,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,422.17531,[M-H]-,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547284,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,468.18079,[M+FA]-,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547285,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,468.18079,[M+FA]-,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547286,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,468.18079,[M+FA]-,60.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547287,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,468.18079,[M+FA]-,15.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547288,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,468.18079,[M+FA]-,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547289,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,424.18986,[M+H]+,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547290,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,424.18986,[M+H]+,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547291,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,424.18986,[M+H]+,45.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547292,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,424.18986,[M+H]+,60.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547293,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,424.18986,[M+H]+,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547294,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,424.18986,[M+H]+,60.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547295,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,424.18986,[M+H]+,20.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547296,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1,424.18986,[M+H]+,45.0,test,O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1
547297,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,431.17879,[M-H]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547298,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,431.17879,[M-H]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547299,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,431.17879,[M-H]-,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547300,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,431.17879,[M-H]-,30.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547301,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,431.17879,[M-H]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547302,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,467.15546,[M+Cl]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547303,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,467.15546,[M+Cl]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547304,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,467.15546,[M+Cl]-,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547305,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,467.15546,[M+Cl]-,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547306,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,467.15546,[M+Cl]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547307,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,477.18427,[M+FA]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547308,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,477.18427,[M+FA]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547309,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,477.18427,[M+FA]-,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547310,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,477.18427,[M+FA]-,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547311,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,477.18427,[M+FA]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547312,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,477.18427,[M+FA]-,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547313,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,477.18427,[M+FA]-,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547314,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,477.18427,[M+FA]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547315,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,433.19334,[M+H]+,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547316,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,433.19334,[M+H]+,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547317,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,433.19334,[M+H]+,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547318,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,433.19334,[M+H]+,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547319,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,433.19334,[M+H]+,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
547320,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1,411.17369,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1
547321,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1,411.17369,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1
547322,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1,411.17369,[M+H]+,15.0,test,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1
547323,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1,411.17369,[M+H]+,60.0,test,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1
547324,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1,411.17369,[M+H]+,30.0,test,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1
547325,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1,411.17369,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1
547326,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1,411.17369,[M+H]+,20.0,test,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1
547327,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1,411.17369,[M+H]+,60.0,test,CCOc1ccc2ccccc2c1C(=O)NCC(c1cccs1)N1CCOCC1
547328,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,425.15405,[M-H]-,20.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547329,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,425.15405,[M-H]-,20.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547330,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,425.15405,[M-H]-,60.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547331,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,425.15405,[M-H]-,30.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547332,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,425.15405,[M-H]-,20.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547333,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,425.15405,[M-H]-,60.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547334,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,425.15405,[M-H]-,30.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547335,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,425.15405,[M-H]-,20.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547336,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,427.1686,[M+H]+,20.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547337,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,427.1686,[M+H]+,20.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547338,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,427.1686,[M+H]+,60.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547339,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,427.1686,[M+H]+,30.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547340,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,427.1686,[M+H]+,20.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547341,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,427.1686,[M+H]+,60.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547342,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,427.1686,[M+H]+,30.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547343,CSCC[C@H](NC(=O)CCn1ccc2c1cc(OCc1ccccc1)cc2)C(=O)O,427.1686,[M+H]+,20.0,test,CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O
547344,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2,427.1686,[M+H]+,30.0,test,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
547345,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2,427.1686,[M+H]+,30.0,test,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
547346,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2,427.1686,[M+H]+,20.0,test,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
547347,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2,427.1686,[M+H]+,60.0,test,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
547348,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2c1ccc(OCc1ccccc1)c2,427.1686,[M+H]+,30.0,test,COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
547349,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,425.15405,[M-H]-,20.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547350,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,425.15405,[M-H]-,20.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547351,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,425.15405,[M-H]-,45.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547352,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,425.15405,[M-H]-,60.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547353,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,425.15405,[M-H]-,20.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547354,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,471.15953,[M+FA]-,20.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547355,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,471.15953,[M+FA]-,20.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547356,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,471.15953,[M+FA]-,60.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547357,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,471.15953,[M+FA]-,15.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547358,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,471.15953,[M+FA]-,20.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547359,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,471.15953,[M+FA]-,60.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547360,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,471.15953,[M+FA]-,15.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547361,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,471.15953,[M+FA]-,20.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547362,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,427.1686,[M+H]+,20.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547363,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,427.1686,[M+H]+,20.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547364,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,427.1686,[M+H]+,60.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547365,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,427.1686,[M+H]+,30.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547366,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,427.1686,[M+H]+,20.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547367,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,427.1686,[M+H]+,30.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547368,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,427.1686,[M+H]+,20.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547369,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1,427.1686,[M+H]+,60.0,test,COc1cccc(C(CNS(=O)(=O)c2cccc3ccccc23)N2CCOCC2)c1
547370,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,20.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547371,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,20.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547372,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,60.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547373,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,30.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547374,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,20.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547375,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,45.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547376,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,60.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547377,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,45.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547378,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC,427.1686,[M+H]+,20.0,test,CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC
547379,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,469.15512,[M-H]-,20.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547380,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,469.15512,[M-H]-,20.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547381,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,469.15512,[M-H]-,60.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547382,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,469.15512,[M-H]-,20.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547383,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,469.15512,[M-H]-,45.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547384,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,469.15512,[M-H]-,60.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547385,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,469.15512,[M-H]-,20.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547386,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,469.15512,[M-H]-,45.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547387,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,471.16967,[M+H]+,20.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547388,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,471.16967,[M+H]+,20.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547389,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,471.16967,[M+H]+,60.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547390,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,471.16967,[M+H]+,30.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547391,CCOC(=O)c1c(C)nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)c(C#N)c1,471.16967,[M+H]+,20.0,test,CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C
547392,COc1ccc(-c2nc3c(c(C(=O)N4CCOCC4)c2)c(C)nn3C2CCS(=O)(=O)C2)cc1,471.16967,[M+H]+,20.0,test,COc1ccc(-c2cc(C(=O)N3CCOCC3)c3c(C)nn(C4CCS(=O)(=O)C4)c3n2)cc1
547393,COc1ccc(-c2nc3c(c(C(=O)N4CCOCC4)c2)c(C)nn3C2CCS(=O)(=O)C2)cc1,471.16967,[M+H]+,20.0,test,COc1ccc(-c2cc(C(=O)N3CCOCC3)c3c(C)nn(C4CCS(=O)(=O)C4)c3n2)cc1
547394,COc1ccc(-c2nc3c(c(C(=O)N4CCOCC4)c2)c(C)nn3C2CCS(=O)(=O)C2)cc1,471.16967,[M+H]+,60.0,test,COc1ccc(-c2cc(C(=O)N3CCOCC3)c3c(C)nn(C4CCS(=O)(=O)C4)c3n2)cc1
547395,COc1ccc(-c2nc3c(c(C(=O)N4CCOCC4)c2)c(C)nn3C2CCS(=O)(=O)C2)cc1,471.16967,[M+H]+,20.0,test,COc1ccc(-c2cc(C(=O)N3CCOCC3)c3c(C)nn(C4CCS(=O)(=O)C4)c3n2)cc1
547396,COc1ccc(-c2nc3c(c(C(=O)N4CCOCC4)c2)c(C)nn3C2CCS(=O)(=O)C2)cc1,471.16967,[M+H]+,45.0,test,COc1ccc(-c2cc(C(=O)N3CCOCC3)c3c(C)nn(C4CCS(=O)(=O)C4)c3n2)cc1
547397,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,349.18092,[M-H]-,20.0,test,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
547398,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,349.18092,[M-H]-,20.0,test,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
547399,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,349.18092,[M-H]-,30.0,test,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
547400,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,349.18092,[M-H]-,20.0,test,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
547401,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)n(C)nc4C)cc3N2)cc1,461.22712,[M+H]+,20.0,test,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)nn(C)c4C)cc3N2)cc1
547402,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)n(C)nc4C)cc3N2)cc1,461.22712,[M+H]+,20.0,test,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)nn(C)c4C)cc3N2)cc1
547403,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)n(C)nc4C)cc3N2)cc1,461.22712,[M+H]+,60.0,test,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)nn(C)c4C)cc3N2)cc1
547404,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)n(C)nc4C)cc3N2)cc1,461.22712,[M+H]+,15.0,test,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)nn(C)c4C)cc3N2)cc1
547405,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)n(C)nc4C)cc3N2)cc1,461.22712,[M+H]+,20.0,test,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)nn(C)c4C)cc3N2)cc1
547406,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)n(C)nc4C)cc3N2)cc1,461.22712,[M+H]+,60.0,test,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)nn(C)c4C)cc3N2)cc1
547407,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)n(C)nc4C)cc3N2)cc1,461.22712,[M+H]+,15.0,test,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)nn(C)c4C)cc3N2)cc1
547408,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)n(C)nc4C)cc3N2)cc1,461.22712,[M+H]+,20.0,test,Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4c(C)nn(C)c4C)cc3N2)cc1
547409,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,20.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547410,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,20.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547411,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,60.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547412,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,30.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547413,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,20.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547414,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,60.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547415,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,30.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547416,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,20.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547417,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,20.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547418,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,20.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547419,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,60.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547420,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,30.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547421,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,20.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547422,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,60.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547423,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,30.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547424,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,318.22163,[M+H]+,20.0,test,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
547425,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1,410.18967,[M+H]+,20.0,test,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1
547426,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1,410.18967,[M+H]+,20.0,test,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1
547427,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1,410.18967,[M+H]+,60.0,test,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1
547428,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1,410.18967,[M+H]+,30.0,test,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1
547429,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1,410.18967,[M+H]+,20.0,test,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1
547430,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1,410.18967,[M+H]+,60.0,test,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1
547431,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1,410.18967,[M+H]+,30.0,test,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1
547432,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1,410.18967,[M+H]+,20.0,test,O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1
547433,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,392.19797,[M-H]-,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547434,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,392.19797,[M-H]-,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547435,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,392.19797,[M-H]-,60.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547436,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,392.19797,[M-H]-,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547437,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,392.19797,[M-H]-,45.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547438,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,392.19797,[M-H]-,60.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547439,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,392.19797,[M-H]-,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547440,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,392.19797,[M-H]-,45.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547441,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,438.20344,[M+FA]-,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547442,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,438.20344,[M+FA]-,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547443,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,438.20344,[M+FA]-,60.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547444,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,438.20344,[M+FA]-,15.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547445,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,438.20344,[M+FA]-,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547446,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,438.20344,[M+FA]-,60.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547447,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,438.20344,[M+FA]-,15.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547448,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,438.20344,[M+FA]-,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547449,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,428.17464,[M+Cl]-,15.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547450,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,428.17464,[M+Cl]-,15.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547451,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,438.20344,[M+FA]-,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547452,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,438.20344,[M+FA]-,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547453,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,438.20344,[M+FA]-,60.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547454,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,438.20344,[M+FA]-,15.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547455,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,438.20344,[M+FA]-,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547456,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,392.19797,[M-H]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547457,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,392.19797,[M-H]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547458,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,392.19797,[M-H]-,60.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547459,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,392.19797,[M-H]-,30.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547460,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,392.19797,[M-H]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547461,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,392.19797,[M-H]-,60.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547462,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,392.19797,[M-H]-,30.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547463,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,392.19797,[M-H]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547464,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,428.17464,[M+Cl]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547465,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,428.17464,[M+Cl]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547466,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,428.17464,[M+Cl]-,60.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547467,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,428.17464,[M+Cl]-,15.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547468,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,428.17464,[M+Cl]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547469,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,438.20344,[M+FA]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547470,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,438.20344,[M+FA]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547471,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,438.20344,[M+FA]-,60.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547472,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,438.20344,[M+FA]-,15.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547473,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,438.20344,[M+FA]-,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547474,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,438.20344,[M+FA]-,20.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547475,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,438.20344,[M+FA]-,15.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547476,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,394.21252,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547477,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,394.21252,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547478,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,394.21252,[M+H]+,60.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547479,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,394.21252,[M+H]+,30.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547480,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,394.21252,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547481,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,394.21252,[M+H]+,60.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547482,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,394.21252,[M+H]+,30.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547483,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(=O)[nH]c(C2CC2)c1,394.21252,[M+H]+,20.0,test,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C2CC2)[nH]c(=O)c1
547484,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,394.21252,[M+H]+,20.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547485,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,394.21252,[M+H]+,20.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547486,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,394.21252,[M+H]+,60.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547487,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,394.21252,[M+H]+,20.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547488,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,394.21252,[M+H]+,45.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547489,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,394.21252,[M+H]+,60.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547490,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,394.21252,[M+H]+,20.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547491,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,394.21252,[M+H]+,45.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547492,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1,416.19446,[M+Na]+,20.0,test,COc1ccccc1Oc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
547493,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,394.21252,[M+H]+,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547494,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,394.21252,[M+H]+,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547495,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,394.21252,[M+H]+,60.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547496,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,394.21252,[M+H]+,30.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547497,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,394.21252,[M+H]+,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547498,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,394.21252,[M+H]+,60.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547499,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,394.21252,[M+H]+,30.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547500,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O,394.21252,[M+H]+,20.0,test,CCc1ccccc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
547501,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,393.20469,[M]+,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547502,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,393.20469,[M]+,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547503,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,393.20469,[M]+,60.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547504,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,393.20469,[M]+,30.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547505,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,393.20469,[M]+,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547506,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,394.21252,[M+H]+,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547507,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,394.21252,[M+H]+,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547508,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,394.21252,[M+H]+,60.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547509,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,394.21252,[M+H]+,30.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547510,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,394.21252,[M+H]+,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547511,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,394.21252,[M+H]+,60.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547512,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,394.21252,[M+H]+,30.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547513,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21,394.21252,[M+H]+,20.0,test,CC(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
547514,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1,394.21252,[M+H]+,20.0,test,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1
547515,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1,394.21252,[M+H]+,20.0,test,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1
547516,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1,394.21252,[M+H]+,30.0,test,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1
547517,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1,394.21252,[M+H]+,60.0,test,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1
547518,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1,394.21252,[M+H]+,15.0,test,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1
547519,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1,394.21252,[M+H]+,20.0,test,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1
547520,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1,394.21252,[M+H]+,60.0,test,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1
547521,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1,394.21252,[M+H]+,20.0,test,O=C1NCCCN(CCC(=O)N2CCOc3ccccc32)C1Cc1ccccc1
547522,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,394.21252,[M+H]+,20.0,test,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
547523,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,394.21252,[M+H]+,20.0,test,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
547524,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,394.21252,[M+H]+,60.0,test,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
547525,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,394.21252,[M+H]+,45.0,test,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
547526,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,394.21252,[M+H]+,60.0,test,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
547527,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,394.21252,[M+H]+,45.0,test,COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
547528,O=C(C1CCc2ccccc2O1)N1CCC(COc2nnc(C3CC3)cc2)CC1,394.21252,[M+H]+,20.0,test,O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1
547529,O=C(C1CCc2ccccc2O1)N1CCC(COc2nnc(C3CC3)cc2)CC1,394.21252,[M+H]+,20.0,test,O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1
547530,O=C(C1CCc2ccccc2O1)N1CCC(COc2nnc(C3CC3)cc2)CC1,394.21252,[M+H]+,30.0,test,O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1
547531,O=C(C1CCc2ccccc2O1)N1CCC(COc2nnc(C3CC3)cc2)CC1,394.21252,[M+H]+,60.0,test,O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1
547532,O=C(C1CCc2ccccc2O1)N1CCC(COc2nnc(C3CC3)cc2)CC1,394.21252,[M+H]+,15.0,test,O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1
547533,O=C(C1CCc2ccccc2O1)N1CCC(COc2nnc(C3CC3)cc2)CC1,394.21252,[M+H]+,20.0,test,O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1
547534,O=C(C1CCc2ccccc2O1)N1CCC(COc2nnc(C3CC3)cc2)CC1,394.21252,[M+H]+,60.0,test,O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1
547535,O=C(C1CCc2ccccc2O1)N1CCC(COc2nnc(C3CC3)cc2)CC1,394.21252,[M+H]+,20.0,test,O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1
547536,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,392.19797,[M-H]-,20.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547537,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,392.19797,[M-H]-,20.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547538,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,392.19797,[M-H]-,60.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547539,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,392.19797,[M-H]-,20.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547540,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,392.19797,[M-H]-,45.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547541,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,428.17464,[M+Cl]-,15.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547542,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,394.21252,[M+H]+,20.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547543,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,394.21252,[M+H]+,20.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547544,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,394.21252,[M+H]+,60.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547545,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,394.21252,[M+H]+,30.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547546,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1,394.21252,[M+H]+,20.0,test,COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1
547547,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21,394.21252,[M+H]+,20.0,test,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21
547548,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21,394.21252,[M+H]+,20.0,test,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21
547549,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21,394.21252,[M+H]+,60.0,test,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21
547550,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21,394.21252,[M+H]+,30.0,test,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21
547551,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21,394.21252,[M+H]+,20.0,test,CCC(=O)N1CCc2c(C(=O)N3CCN(c4ccccc4OC)CC3)cccc21
547552,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1,394.21252,[M+H]+,20.0,test,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1
547553,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1,394.21252,[M+H]+,20.0,test,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1
547554,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1,394.21252,[M+H]+,60.0,test,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1
547555,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1,394.21252,[M+H]+,15.0,test,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1
547556,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1,394.21252,[M+H]+,20.0,test,CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1
547557,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1,394.21252,[M+H]+,20.0,test,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1
547558,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1,394.21252,[M+H]+,20.0,test,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1
547559,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1,394.21252,[M+H]+,45.0,test,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1
547560,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1,394.21252,[M+H]+,60.0,test,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1
547561,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1,394.21252,[M+H]+,20.0,test,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1
547562,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1,394.21252,[M+H]+,45.0,test,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1
547563,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1,394.21252,[M+H]+,60.0,test,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1
547564,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1,394.21252,[M+H]+,20.0,test,CC1(C)Cc2cccc(OCC(=O)N3CCC4CN(c5ccccn5)CC43)c2O1
547565,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,470.17552,[M+FA]-,15.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547566,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,470.17552,[M+FA]-,15.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547567,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,470.17552,[M+FA]-,20.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547568,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,470.17552,[M+FA]-,60.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547569,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,470.17552,[M+FA]-,15.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547570,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,426.18459,[M+H]+,30.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547571,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,426.18459,[M+H]+,30.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547572,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,426.18459,[M+H]+,20.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547573,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,426.18459,[M+H]+,60.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547574,CC(=O)N1CCCc2c1cc(S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C)cc2,426.18459,[M+H]+,30.0,test,CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc21
547575,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,424.17004,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547576,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,424.17004,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547577,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,424.17004,[M-H]-,60.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547578,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,424.17004,[M-H]-,30.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547579,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,424.17004,[M-H]-,20.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547580,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,426.18459,[M+H]+,15.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547581,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,426.18459,[M+H]+,15.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547582,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,426.18459,[M+H]+,60.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547583,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,426.18459,[M+H]+,20.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547584,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1,426.18459,[M+H]+,15.0,test,CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1
547585,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1,426.18459,[M+H]+,20.0,test,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1
547586,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1,426.18459,[M+H]+,20.0,test,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1
547587,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1,426.18459,[M+H]+,60.0,test,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1
547588,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1,426.18459,[M+H]+,30.0,test,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1
547589,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1,426.18459,[M+H]+,20.0,test,CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1
547590,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,440.16495,[M-H]-,20.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547591,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,440.16495,[M-H]-,20.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547592,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,440.16495,[M-H]-,60.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547593,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,440.16495,[M-H]-,20.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547594,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,440.16495,[M-H]-,45.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547595,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,442.1795,[M+H]+,20.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547596,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,442.1795,[M+H]+,20.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547597,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,442.1795,[M+H]+,60.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547598,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,442.1795,[M+H]+,30.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547599,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,442.1795,[M+H]+,20.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547600,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,442.1795,[M+H]+,60.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547601,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,442.1795,[M+H]+,30.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547602,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12,442.1795,[M+H]+,20.0,test,CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12
547603,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,440.16495,[M-H]-,20.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547604,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,440.16495,[M-H]-,20.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547605,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,440.16495,[M-H]-,60.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547606,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,440.16495,[M-H]-,20.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547607,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,440.16495,[M-H]-,60.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547608,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,440.16495,[M-H]-,20.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547609,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,442.1795,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547610,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,442.1795,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547611,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,442.1795,[M+H]+,60.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547612,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,442.1795,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547613,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,442.1795,[M+H]+,45.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547614,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,442.1795,[M+H]+,60.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547615,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,442.1795,[M+H]+,20.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547616,CC1CC(C)CN(C(=O)C2CCCc3c2nc(NC(=O)c2cc4c(cc2)OCO4)s3)C1,442.1795,[M+H]+,45.0,test,CC1CC(C)CN(C(=O)C2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1
547617,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,440.16495,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547618,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,440.16495,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547619,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,440.16495,[M-H]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547620,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,440.16495,[M-H]-,30.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547621,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,440.16495,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547622,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,440.16495,[M-H]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547623,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,440.16495,[M-H]-,30.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547624,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,440.16495,[M-H]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547625,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,476.14163,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547626,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,476.14163,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547627,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,476.14163,[M+Cl]-,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547628,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,476.14163,[M+Cl]-,15.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547629,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,476.14163,[M+Cl]-,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547630,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,440.16495,[M-H]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547631,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,440.16495,[M-H]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547632,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,440.16495,[M-H]-,45.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547633,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,440.16495,[M-H]-,60.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547634,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,440.16495,[M-H]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547635,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,476.14163,[M+Cl]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547636,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,476.14163,[M+Cl]-,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547637,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,476.14163,[M+Cl]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547638,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,476.14163,[M+Cl]-,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547639,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,476.14163,[M+Cl]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547640,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,486.17043,[M+FA]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547641,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,486.17043,[M+FA]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547642,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,486.17043,[M+FA]-,60.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547643,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,486.17043,[M+FA]-,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547644,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,486.17043,[M+FA]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547645,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,486.17043,[M+FA]-,60.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547646,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,486.17043,[M+FA]-,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547647,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,486.17043,[M+FA]-,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547648,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,442.1795,[M+H]+,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547649,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,442.1795,[M+H]+,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547650,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,442.1795,[M+H]+,60.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547651,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,442.1795,[M+H]+,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547652,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,442.1795,[M+H]+,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547653,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,442.1795,[M+H]+,60.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547654,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,442.1795,[M+H]+,20.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547655,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,442.1795,[M+H]+,15.0,test,CCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
547656,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,442.1795,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547657,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,442.1795,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547658,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,442.1795,[M+H]+,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547659,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,442.1795,[M+H]+,30.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547660,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,442.1795,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547661,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,442.1795,[M+H]+,30.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547662,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,442.1795,[M+H]+,60.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547663,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1,442.1795,[M+H]+,20.0,test,CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
547664,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,488.13194,[M-H]-,20.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547665,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,488.13194,[M-H]-,20.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547666,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,488.13194,[M-H]-,60.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547667,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,488.13194,[M-H]-,30.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547668,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,488.13194,[M-H]-,20.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547669,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,490.14649,[M+H]+,20.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547670,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,490.14649,[M+H]+,20.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547671,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,490.14649,[M+H]+,60.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547672,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,490.14649,[M+H]+,15.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547673,CCCS(=O)(=O)c1c(C(=O)N/N=C/c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC,490.14649,[M+H]+,20.0,test,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1
547674,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,432.21535,[M-H]-,20.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547675,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,432.21535,[M-H]-,20.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547676,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,432.21535,[M-H]-,60.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547677,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,432.21535,[M-H]-,30.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547678,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,432.21535,[M-H]-,20.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547679,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,432.21535,[M-H]-,60.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547680,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,432.21535,[M-H]-,30.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547681,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,432.21535,[M-H]-,20.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547682,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,468.19202,[M+Cl]-,20.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547683,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,468.19202,[M+Cl]-,20.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547684,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,468.19202,[M+Cl]-,60.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547685,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,468.19202,[M+Cl]-,15.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547686,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1,468.19202,[M+Cl]-,20.0,test,CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1
547687,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,433.22207,[M]+,20.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547688,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,433.22207,[M]+,20.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547689,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,433.22207,[M]+,45.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547690,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,433.22207,[M]+,60.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547691,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,433.22207,[M]+,20.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547692,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,434.2299,[M+H]+,20.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547693,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,434.2299,[M+H]+,20.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547694,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,434.2299,[M+H]+,45.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547695,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,434.2299,[M+H]+,60.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547696,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,434.2299,[M+H]+,20.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547697,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,434.2299,[M+H]+,45.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547698,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,434.2299,[M+H]+,60.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547699,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1,434.2299,[M+H]+,20.0,test,Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1
547700,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1,434.2299,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1
547701,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1,434.2299,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1
547702,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1,434.2299,[M+H]+,60.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1
547703,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1,434.2299,[M+H]+,30.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1
547704,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1,434.2299,[M+H]+,20.0,test,Cc1cnc(OCC23CCCC2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1
547705,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21,366.20637,[M+H]+,20.0,test,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21
547706,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21,366.20637,[M+H]+,20.0,test,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21
547707,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21,366.20637,[M+H]+,60.0,test,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21
547708,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21,366.20637,[M+H]+,30.0,test,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21
547709,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21,366.20637,[M+H]+,20.0,test,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21
547710,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21,366.20637,[M+H]+,60.0,test,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21
547711,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21,366.20637,[M+H]+,30.0,test,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21
547712,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21,366.20637,[M+H]+,20.0,test,CN1CCCCC1COC(=O)C1(O)c2ccccc2CCc2ccccc21
547713,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547714,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547715,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547716,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547717,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,455.13865,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547718,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,455.13865,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547719,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,455.13865,[M+H]+,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547720,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,455.13865,[M+H]+,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547721,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,455.13865,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547722,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547723,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547724,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547725,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547726,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,499.12958,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C
547727,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cc(Cl)ccc2)CC1,414.19428,[M+H]+,20.0,test,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
547728,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cc(Cl)ccc2)CC1,414.19428,[M+H]+,20.0,test,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
547729,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cc(Cl)ccc2)CC1,414.19428,[M+H]+,60.0,test,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
547730,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cc(Cl)ccc2)CC1,414.19428,[M+H]+,20.0,test,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
547731,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cc(Cl)ccc2)CC1,414.19428,[M+H]+,45.0,test,COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
547732,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,448.15641,[M+Cl]-,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547733,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,448.15641,[M+Cl]-,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547734,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,448.15641,[M+Cl]-,60.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547735,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,448.15641,[M+Cl]-,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547736,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,458.18521,[M+FA]-,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547737,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,458.18521,[M+FA]-,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547738,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,458.18521,[M+FA]-,60.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547739,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,458.18521,[M+FA]-,15.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547740,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,458.18521,[M+FA]-,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547741,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,414.19428,[M+H]+,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547742,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,414.19428,[M+H]+,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547743,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,414.19428,[M+H]+,60.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547744,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,414.19428,[M+H]+,30.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547745,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,414.19428,[M+H]+,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547746,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,414.19428,[M+H]+,60.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547747,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,414.19428,[M+H]+,30.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547748,CN(CCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2)C1)c1ccccc1,414.19428,[M+H]+,20.0,test,CN(CCCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1
547749,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,469.22814,[M-H]-,20.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547750,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,469.22814,[M-H]-,20.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547751,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,469.22814,[M-H]-,60.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547752,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,469.22814,[M-H]-,20.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547753,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,469.22814,[M-H]-,60.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547754,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,471.24269,[M+H]+,20.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547755,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,471.24269,[M+H]+,20.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547756,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,471.24269,[M+H]+,60.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547757,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,471.24269,[M+H]+,20.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547758,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,471.24269,[M+H]+,45.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547759,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,471.24269,[M+H]+,60.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547760,CC(C)n1cnc2c(NCc3nc4c(ccc(F)c4F)[nH]3)nc(N3CCCC[C@H]3CCO)nc21,471.24269,[M+H]+,20.0,test,CC(C)n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N3CCCC[C@H]3CCO)nc21
547761,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,506.17666,[M+FA]-,20.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547762,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,506.17666,[M+FA]-,20.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547763,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,506.17666,[M+FA]-,60.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547764,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,506.17666,[M+FA]-,15.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547765,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,506.17666,[M+FA]-,20.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547766,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,506.17666,[M+FA]-,60.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547767,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,506.17666,[M+FA]-,15.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547768,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,506.17666,[M+FA]-,20.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547769,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,462.18573,[M+H]+,20.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547770,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,462.18573,[M+H]+,20.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547771,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,462.18573,[M+H]+,60.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547772,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,462.18573,[M+H]+,30.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547773,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,462.18573,[M+H]+,20.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547774,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,462.18573,[M+H]+,60.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547775,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,462.18573,[M+H]+,30.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547776,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1,462.18573,[M+H]+,20.0,test,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCCC1c1ccc(F)cc1
547777,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,501.18133,[M+FA]-,20.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547778,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,501.18133,[M+FA]-,20.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547779,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,501.18133,[M+FA]-,60.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547780,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,501.18133,[M+FA]-,15.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547781,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,501.18133,[M+FA]-,20.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547782,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,457.1904,[M+H]+,20.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547783,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,457.1904,[M+H]+,20.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547784,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,457.1904,[M+H]+,60.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547785,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,457.1904,[M+H]+,30.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547786,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,457.1904,[M+H]+,20.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547787,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,457.1904,[M+H]+,60.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547788,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,457.1904,[M+H]+,30.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547789,CC(C)c1noc(N2CCC(COc3cnc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)n1,457.1904,[M+H]+,20.0,test,CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
547790,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,419.2201,[M-H]-,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547791,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,419.2201,[M-H]-,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547792,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,419.2201,[M-H]-,60.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547793,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,419.2201,[M-H]-,30.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547794,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,419.2201,[M-H]-,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547795,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,419.2201,[M-H]-,60.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547796,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,419.2201,[M-H]-,30.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547797,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,419.2201,[M-H]-,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547798,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,465.22558,[M+FA]-,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547799,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,465.22558,[M+FA]-,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547800,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,465.22558,[M+FA]-,60.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547801,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,465.22558,[M+FA]-,15.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547802,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,465.22558,[M+FA]-,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547803,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,419.2201,[M-H]-,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547804,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,419.2201,[M-H]-,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547805,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,419.2201,[M-H]-,30.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547806,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,419.2201,[M-H]-,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547807,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,419.2201,[M-H]-,30.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547808,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,419.2201,[M-H]-,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547809,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,465.22558,[M+FA]-,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547810,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,465.22558,[M+FA]-,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547811,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,465.22558,[M+FA]-,60.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547812,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,465.22558,[M+FA]-,15.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547813,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,465.22558,[M+FA]-,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547814,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,421.23465,[M+H]+,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547815,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,421.23465,[M+H]+,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547816,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,421.23465,[M+H]+,60.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547817,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,421.23465,[M+H]+,20.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547818,COc1ccc(CCC(=O)Nc2cn(-c3ncncc3N3CCC(C)CC3)nc2)cc1,421.23465,[M+H]+,45.0,test,COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCC(C)CC3)c2)cc1
547819,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,421.23465,[M+H]+,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547820,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,421.23465,[M+H]+,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547821,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,421.23465,[M+H]+,60.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547822,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,421.23465,[M+H]+,30.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547823,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,421.23465,[M+H]+,20.0,test,CN(C)c1ccc(/C=N/NC(=O)C2CC2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
547824,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1,421.23465,[M+H]+,20.0,test,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1
547825,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1,421.23465,[M+H]+,20.0,test,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1
547826,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1,421.23465,[M+H]+,60.0,test,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1
547827,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1,421.23465,[M+H]+,30.0,test,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1
547828,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1,421.23465,[M+H]+,20.0,test,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1
547829,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1,421.23465,[M+H]+,30.0,test,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1
547830,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1,421.23465,[M+H]+,20.0,test,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1
547831,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1,421.23465,[M+H]+,60.0,test,CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccccc3)CC2)n1
547832,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1,421.23465,[M+H]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1
547833,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1,421.23465,[M+H]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1
547834,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1,421.23465,[M+H]+,45.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1
547835,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1,421.23465,[M+H]+,60.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1
547836,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1,421.23465,[M+H]+,20.0,test,Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1
547837,CCOC(=O)N1CCN(C(=O)CSc2c3c(c(C)nn2)cnn3-c2cc(C)c(C)cc2)CC1,469.20164,[M+H]+,20.0,test,CCOC(=O)N1CCN(C(=O)CSc2nnc(C)c3cnn(-c4ccc(C)c(C)c4)c23)CC1
547838,CCOC(=O)N1CCN(C(=O)CSc2c3c(c(C)nn2)cnn3-c2cc(C)c(C)cc2)CC1,469.20164,[M+H]+,20.0,test,CCOC(=O)N1CCN(C(=O)CSc2nnc(C)c3cnn(-c4ccc(C)c(C)c4)c23)CC1
547839,CCOC(=O)N1CCN(C(=O)CSc2c3c(c(C)nn2)cnn3-c2cc(C)c(C)cc2)CC1,469.20164,[M+H]+,60.0,test,CCOC(=O)N1CCN(C(=O)CSc2nnc(C)c3cnn(-c4ccc(C)c(C)c4)c23)CC1
547840,CCOC(=O)N1CCN(C(=O)CSc2c3c(c(C)nn2)cnn3-c2cc(C)c(C)cc2)CC1,469.20164,[M+H]+,15.0,test,CCOC(=O)N1CCN(C(=O)CSc2nnc(C)c3cnn(-c4ccc(C)c(C)c4)c23)CC1
547841,CCOC(=O)N1CCN(C(=O)CSc2c3c(c(C)nn2)cnn3-c2cc(C)c(C)cc2)CC1,469.20164,[M+H]+,20.0,test,CCOC(=O)N1CCN(C(=O)CSc2nnc(C)c3cnn(-c4ccc(C)c(C)c4)c23)CC1
547842,CCOC(=O)N1CCN(C(=O)CSc2c3c(c(C)nn2)cnn3-c2cc(C)c(C)cc2)CC1,469.20164,[M+H]+,60.0,test,CCOC(=O)N1CCN(C(=O)CSc2nnc(C)c3cnn(-c4ccc(C)c(C)c4)c23)CC1
547843,CCOC(=O)N1CCN(C(=O)CSc2c3c(c(C)nn2)cnn3-c2cc(C)c(C)cc2)CC1,469.20164,[M+H]+,15.0,test,CCOC(=O)N1CCN(C(=O)CSc2nnc(C)c3cnn(-c4ccc(C)c(C)c4)c23)CC1
547844,CCOC(=O)N1CCN(C(=O)CSc2c3c(c(C)nn2)cnn3-c2cc(C)c(C)cc2)CC1,469.20164,[M+H]+,20.0,test,CCOC(=O)N1CCN(C(=O)CSc2nnc(C)c3cnn(-c4ccc(C)c(C)c4)c23)CC1
547845,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,467.18708,[M-H]-,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547846,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,467.18708,[M-H]-,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547847,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,467.18708,[M-H]-,45.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547848,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,467.18708,[M-H]-,60.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547849,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,467.18708,[M-H]-,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547850,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,513.19256,[M+FA]-,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547851,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,513.19256,[M+FA]-,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547852,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,513.19256,[M+FA]-,60.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547853,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,513.19256,[M+FA]-,15.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547854,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,513.19256,[M+FA]-,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547855,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,469.20164,[M+H]+,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547856,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,469.20164,[M+H]+,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547857,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,469.20164,[M+H]+,60.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547858,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,469.20164,[M+H]+,30.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547859,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,469.20164,[M+H]+,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547860,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,469.20164,[M+H]+,30.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547861,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,469.20164,[M+H]+,60.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547862,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21,469.20164,[M+H]+,20.0,test,CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCc3c[nH]c4ccccc34)ccc21
547863,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,483.20292,[M+Cl]-,30.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547864,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,483.20292,[M+Cl]-,30.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547865,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,493.23172,[M+FA]-,15.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547866,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,493.23172,[M+FA]-,15.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547867,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,493.23172,[M+FA]-,20.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547868,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,493.23172,[M+FA]-,15.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547869,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,449.2408,[M+H]+,20.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547870,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,449.2408,[M+H]+,20.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547871,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,449.2408,[M+H]+,60.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547872,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,449.2408,[M+H]+,30.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547873,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,449.2408,[M+H]+,20.0,test,O=C(NCCCNC(=O)Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
547874,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,432.16149,[M-H]-,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547875,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,432.16149,[M-H]-,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547876,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,432.16149,[M-H]-,60.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547877,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,432.16149,[M-H]-,30.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547878,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,432.16149,[M-H]-,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547879,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,432.16149,[M-H]-,60.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547880,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,432.16149,[M-H]-,30.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547881,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,432.16149,[M-H]-,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547882,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,468.13817,[M+Cl]-,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547883,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,468.13817,[M+Cl]-,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547884,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,468.13817,[M+Cl]-,60.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547885,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,468.13817,[M+Cl]-,15.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547886,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,468.13817,[M+Cl]-,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547887,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,434.17604,[M+H]+,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547888,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,434.17604,[M+H]+,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547889,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,434.17604,[M+H]+,60.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547890,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,434.17604,[M+H]+,30.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547891,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,434.17604,[M+H]+,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547892,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,434.17604,[M+H]+,60.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547893,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,434.17604,[M+H]+,30.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547894,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2)CC1,434.17604,[M+H]+,20.0,test,CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
547895,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,405.18271,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
547896,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,405.18271,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
547897,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,405.18271,[M+H]+,60.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
547898,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,405.18271,[M+H]+,30.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
547899,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,405.18271,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
547900,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,472.20892,[M+FA]-,20.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547901,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,472.20892,[M+FA]-,20.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547902,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,472.20892,[M+FA]-,60.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547903,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,472.20892,[M+FA]-,15.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547904,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,472.20892,[M+FA]-,20.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547905,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,472.20892,[M+FA]-,20.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547906,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,472.20892,[M+FA]-,60.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547907,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,472.20892,[M+FA]-,15.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547908,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,428.218,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547909,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,428.218,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547910,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,428.218,[M+H]+,60.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547911,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,428.218,[M+H]+,15.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547912,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,428.218,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547913,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,428.218,[M+H]+,20.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547914,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1,428.218,[M+H]+,60.0,test,CCOc1ccc(N2CC(CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1
547915,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,476.15433,[M+H]+,20.0,test,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
547916,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,476.15433,[M+H]+,20.0,test,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
547917,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,476.15433,[M+H]+,60.0,test,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
547918,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,476.15433,[M+H]+,30.0,test,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
547919,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,476.15433,[M+H]+,20.0,test,CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
547920,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2cc3ccccc3cc2)C1,399.21008,[M+H]+,20.0,test,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2ccc3ccccc3c2)C1
547921,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2cc3ccccc3cc2)C1,399.21008,[M+H]+,20.0,test,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2ccc3ccccc3c2)C1
547922,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2cc3ccccc3cc2)C1,399.21008,[M+H]+,60.0,test,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2ccc3ccccc3c2)C1
547923,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2cc3ccccc3cc2)C1,399.21008,[M+H]+,30.0,test,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2ccc3ccccc3c2)C1
547924,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2cc3ccccc3cc2)C1,399.21008,[M+H]+,20.0,test,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2ccc3ccccc3c2)C1
547925,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2cc3ccccc3cc2)C1,399.21008,[M+H]+,60.0,test,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2ccc3ccccc3c2)C1
547926,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2cc3ccccc3cc2)C1,399.21008,[M+H]+,30.0,test,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2ccc3ccccc3c2)C1
547927,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2cc3ccccc3cc2)C1,399.21008,[M+H]+,20.0,test,CN=S1(=O)CCCC2(CCCN2C(=O)CCCc2ccc3ccccc3c2)C1
547928,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1,439.24521,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1
547929,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1,439.24521,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1
547930,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1,439.24521,[M+H]+,45.0,test,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1
547931,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1,439.24521,[M+H]+,60.0,test,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1
547932,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1,439.24521,[M+H]+,20.0,test,Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1
547933,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547934,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547935,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547936,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547937,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547938,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547939,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547940,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547941,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547942,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547943,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547944,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547945,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547946,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547947,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547948,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547949,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547950,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547951,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547952,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547953,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547954,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547955,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547956,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547957,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547958,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547959,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547960,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547961,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547962,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547963,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547964,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547965,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547966,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547967,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547968,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547969,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547970,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547971,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547972,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547973,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547974,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547975,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547976,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547977,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547978,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547979,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547980,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547981,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,60.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547982,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,20.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547983,CN(C)C(=O)c1cc2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n1C1CCCC1,435.26153,[M+H]+,45.0,test,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
547984,COc1c(O)ccc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2cc(OC)c(O)cc2)c1,527.17701,[M+FA]-,20.0,test,COc1cc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2ccc(O)c(OC)c2)ccc1O
547985,COc1c(O)ccc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2cc(OC)c(O)cc2)c1,527.17701,[M+FA]-,20.0,test,COc1cc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2ccc(O)c(OC)c2)ccc1O
547986,COc1c(O)ccc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2cc(OC)c(O)cc2)c1,527.17701,[M+FA]-,60.0,test,COc1cc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2ccc(O)c(OC)c2)ccc1O
547987,COc1c(O)ccc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2cc(OC)c(O)cc2)c1,527.17701,[M+FA]-,15.0,test,COc1cc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2ccc(O)c(OC)c2)ccc1O
547988,COc1c(O)ccc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2cc(OC)c(O)cc2)c1,527.17701,[M+FA]-,20.0,test,COc1cc(C(CO)C(OC2OC(CO)C(O)C(O)C2O)c2ccc(O)c(OC)c2)ccc1O
547989,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,401.19696,[M-H]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547990,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,401.19696,[M-H]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547991,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,401.19696,[M-H]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547992,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,437.17364,[M+Cl]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547993,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,437.17364,[M+Cl]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547994,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,437.17364,[M+Cl]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547995,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547996,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547997,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547998,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
547999,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548000,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548001,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548002,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548003,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,437.17364,[M+Cl]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548004,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,437.17364,[M+Cl]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548005,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,437.17364,[M+Cl]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548006,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548007,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548008,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548009,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548010,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548011,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548012,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548013,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548014,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,403.21151,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548015,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,403.21151,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548016,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,403.21151,[M+H]+,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548017,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,403.21151,[M+H]+,30.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548018,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,403.21151,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548019,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,403.21151,[M+H]+,20.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548020,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,403.21151,[M+H]+,20.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548021,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,403.21151,[M+H]+,60.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548022,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,403.21151,[M+H]+,30.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548023,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,403.21151,[M+H]+,20.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548024,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,403.21151,[M+H]+,60.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548025,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,403.21151,[M+H]+,30.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548026,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,403.21151,[M+H]+,20.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548027,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,420.23806,[M+NH4]+,20.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548028,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,420.23806,[M+NH4]+,20.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548029,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,420.23806,[M+NH4]+,60.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548030,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,420.23806,[M+NH4]+,15.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548031,COc1c(OC)c(O)c2c(c1)C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1-2,420.23806,[M+NH4]+,20.0,test,COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2
548032,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548033,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548034,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548035,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,30.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548036,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548037,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548038,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548039,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548040,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548041,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548042,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548043,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548044,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548045,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548046,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
548047,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548048,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548049,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548050,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548051,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548052,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548053,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548054,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,447.20244,[M+FA]-,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548055,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,30.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548056,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,30.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548057,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548058,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548059,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,385.20095,[M+H-H2O]+,30.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548060,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548061,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548062,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548063,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548064,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548065,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,60.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548066,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,15.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548067,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,403.21151,[M+H]+,20.0,test,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
548068,COc1c(OC)cc(CC[C@@H](O)c2cc(OCC(=O)OC(C)(C)C)ccc2)cc1,420.23806,[M+NH4]+,20.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548069,COc1c(OC)cc(CC[C@@H](O)c2cc(OCC(=O)OC(C)(C)C)ccc2)cc1,420.23806,[M+NH4]+,20.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548070,COc1c(OC)cc(CC[C@@H](O)c2cc(OCC(=O)OC(C)(C)C)ccc2)cc1,420.23806,[M+NH4]+,60.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548071,COc1c(OC)cc(CC[C@@H](O)c2cc(OCC(=O)OC(C)(C)C)ccc2)cc1,420.23806,[M+NH4]+,15.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548072,COc1c(OC)cc(CC[C@@H](O)c2cc(OCC(=O)OC(C)(C)C)ccc2)cc1,420.23806,[M+NH4]+,20.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548073,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12,401.19696,[M-H]-,20.0,test,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12
548074,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12,401.19696,[M-H]-,20.0,test,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12
548075,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12,401.19696,[M-H]-,60.0,test,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12
548076,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12,401.19696,[M-H]-,30.0,test,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12
548077,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12,401.19696,[M-H]-,20.0,test,C/C=C/C=C/C=C/C(=O)OC1C=C(C=O)C(O)(C(=O)O)C2(C)CCCC(C)(C)C12
548078,COc1c(C)c(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1,403.21151,[M+H]+,20.0,test,COc1cc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C
548079,COc1c(C)c(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1,403.21151,[M+H]+,20.0,test,COc1cc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C
548080,COc1c(C)c(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1,403.21151,[M+H]+,60.0,test,COc1cc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C
548081,COc1c(C)c(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1,403.21151,[M+H]+,30.0,test,COc1cc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C
548082,COc1c(C)c(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1,403.21151,[M+H]+,20.0,test,COc1cc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C
548083,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC,420.23806,[M+NH4]+,20.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548084,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC,420.23806,[M+NH4]+,20.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548085,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC,420.23806,[M+NH4]+,60.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548086,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC,420.23806,[M+NH4]+,15.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548087,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC,420.23806,[M+NH4]+,20.0,test,COc1ccc(CC[C@@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
548088,C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1O)C(O)CC1(C)C(C)CCC(=O)C1C,421.17873,[M-H]-,20.0,test,C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C
548089,C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1O)C(O)CC1(C)C(C)CCC(=O)C1C,421.17873,[M-H]-,20.0,test,C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C
548090,C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1O)C(O)CC1(C)C(C)CCC(=O)C1C,421.17873,[M-H]-,60.0,test,C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C
548091,C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1O)C(O)CC1(C)C(C)CCC(=O)C1C,421.17873,[M-H]-,20.0,test,C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C
548092,C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1O)C(O)CC1(C)C(C)CCC(=O)C1C,421.17873,[M-H]-,45.0,test,C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C
548093,C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1O)C(O)CC1(C)C(C)CCC(=O)C1C,421.17873,[M-H]-,60.0,test,C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C
548094,C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1O)C(O)CC1(C)C(C)CCC(=O)C1C,421.17873,[M-H]-,20.0,test,C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C
548095,C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1O)C(O)CC1(C)C(C)CCC(=O)C1C,421.17873,[M-H]-,45.0,test,C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C
548096,CCOC(=O)C1CCN(C(c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1,430.23365,[M+H]+,30.0,test,CCOC(=O)C1CCN(C(c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1
548097,CCOC(=O)C1CCN(C(c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1,430.23365,[M+H]+,30.0,test,CCOC(=O)C1CCN(C(c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1
548098,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,474.22457,[M+FA]-,20.0,test,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
548099,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,474.22457,[M+FA]-,60.0,test,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
548100,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,430.23365,[M+H]+,20.0,test,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
548101,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,430.23365,[M+H]+,20.0,test,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
548102,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,430.23365,[M+H]+,45.0,test,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
548103,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,430.23365,[M+H]+,60.0,test,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
548104,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,430.23365,[M+H]+,20.0,test,COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
548105,CCCN1CCN(C(=O)c2c(C)n(-c3nccc(-c4nc(C(C)(C)C)no4)c3)nc2)CC1,438.2612,[M+H]+,20.0,test,CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
548106,CCCN1CCN(C(=O)c2c(C)n(-c3nccc(-c4nc(C(C)(C)C)no4)c3)nc2)CC1,438.2612,[M+H]+,20.0,test,CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
548107,CCCN1CCN(C(=O)c2c(C)n(-c3nccc(-c4nc(C(C)(C)C)no4)c3)nc2)CC1,438.2612,[M+H]+,60.0,test,CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
548108,CCCN1CCN(C(=O)c2c(C)n(-c3nccc(-c4nc(C(C)(C)C)no4)c3)nc2)CC1,438.2612,[M+H]+,30.0,test,CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
548109,CCCN1CCN(C(=O)c2c(C)n(-c3nccc(-c4nc(C(C)(C)C)no4)c3)nc2)CC1,438.2612,[M+H]+,20.0,test,CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
548110,CCCN1CCN(C(=O)c2c(C)n(-c3nccc(-c4nc(C(C)(C)C)no4)c3)nc2)CC1,438.2612,[M+H]+,60.0,test,CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
548111,CCCN1CCN(C(=O)c2c(C)n(-c3nccc(-c4nc(C(C)(C)C)no4)c3)nc2)CC1,438.2612,[M+H]+,30.0,test,CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
548112,CCCN1CCN(C(=O)c2c(C)n(-c3nccc(-c4nc(C(C)(C)C)no4)c3)nc2)CC1,438.2612,[M+H]+,20.0,test,CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
548113,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,369.25365,[M+H]+,20.0,test,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1
548114,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,369.25365,[M+H]+,20.0,test,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1
548115,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,369.25365,[M+H]+,60.0,test,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1
548116,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,369.25365,[M+H]+,20.0,test,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1
548117,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,369.25365,[M+H]+,45.0,test,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1
548118,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,369.25365,[M+H]+,60.0,test,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1
548119,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,369.25365,[M+H]+,20.0,test,CN1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1
548120,COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1,369.25365,[M+H]+,20.0,test,COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
548121,COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1,369.25365,[M+H]+,20.0,test,COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
548122,COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1,369.25365,[M+H]+,60.0,test,COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
548123,COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1,369.25365,[M+H]+,20.0,test,COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
548124,COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1,369.25365,[M+H]+,45.0,test,COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
548125,COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1,369.25365,[M+H]+,60.0,test,COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
548126,COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1,369.25365,[M+H]+,20.0,test,COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
548127,COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1,369.25365,[M+H]+,45.0,test,COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
548128,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,383.23402,[M-H]-,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548129,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,383.23402,[M-H]-,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548130,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,383.23402,[M-H]-,60.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548131,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,383.23402,[M-H]-,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548132,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,383.23402,[M-H]-,60.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548133,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,383.23402,[M-H]-,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548134,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,429.2395,[M+FA]-,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548135,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,429.2395,[M+FA]-,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548136,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,429.2395,[M+FA]-,60.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548137,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,429.2395,[M+FA]-,15.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548138,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,429.2395,[M+FA]-,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548139,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,385.24857,[M+H]+,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548140,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,385.24857,[M+H]+,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548141,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,385.24857,[M+H]+,60.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548142,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,385.24857,[M+H]+,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548143,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,385.24857,[M+H]+,45.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548144,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,385.24857,[M+H]+,60.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548145,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,385.24857,[M+H]+,20.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548146,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3CN=C(N)c3c1O2,385.24857,[M+H]+,45.0,test,CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)C(N)=NC3
548147,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C,385.23081,[M+H]+,20.0,test,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C
548148,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C,385.23081,[M+H]+,20.0,test,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C
548149,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C,385.23081,[M+H]+,60.0,test,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C
548150,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C,385.23081,[M+H]+,30.0,test,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C
548151,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C,385.23081,[M+H]+,20.0,test,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C
548152,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C,385.23081,[M+H]+,60.0,test,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C
548153,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C,385.23081,[M+H]+,30.0,test,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C
548154,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C,385.23081,[M+H]+,20.0,test,CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(S)=NC(C)(C)C
548155,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548156,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548157,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,60.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548158,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,30.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548159,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548160,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,593.17232,[M+FA]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548161,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,593.17232,[M+FA]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548162,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,593.17232,[M+FA]-,60.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548163,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,20.0,test,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
548164,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,20.0,test,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
548165,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,60.0,test,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
548166,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,15.0,test,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
548167,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,20.0,test,COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
548168,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548169,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548170,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,60.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548171,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,15.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548172,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,566.20794,[M+NH4]+,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548173,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548174,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548175,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,60.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548176,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,30.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548177,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,547.16684,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548178,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,583.14352,[M+Cl]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548179,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,583.14352,[M+Cl]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548180,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,583.14352,[M+Cl]-,60.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548181,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,583.14352,[M+Cl]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548182,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,593.17232,[M+FA]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548183,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,593.17232,[M+FA]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548184,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,593.17232,[M+FA]-,60.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548185,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,593.17232,[M+FA]-,15.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548186,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,593.17232,[M+FA]-,20.0,test,COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
548187,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,437.21699,[M+H]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548188,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,437.21699,[M+H]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548189,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,437.21699,[M+H]+,60.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548190,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,437.21699,[M+H]+,30.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548191,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,437.21699,[M+H]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548192,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,454.24354,[M+NH4]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548193,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,454.24354,[M+NH4]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548194,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,454.24354,[M+NH4]+,60.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548195,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,454.24354,[M+NH4]+,15.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548196,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,454.24354,[M+NH4]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548197,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,454.24354,[M+NH4]+,60.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548198,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,454.24354,[M+NH4]+,15.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548199,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,454.24354,[M+NH4]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548200,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,459.19894,[M+Na]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548201,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,459.19894,[M+Na]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548202,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,459.19894,[M+Na]+,60.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548203,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,459.19894,[M+Na]+,20.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548204,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12,459.19894,[M+Na]+,45.0,test,C=C1C(=O)OC2CC(COC(=O)C(C)C)=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C12
548205,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1,372.25332,[M+H]+,20.0,test,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1
548206,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1,372.25332,[M+H]+,20.0,test,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1
548207,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1,372.25332,[M+H]+,60.0,test,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1
548208,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1,372.25332,[M+H]+,30.0,test,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1
548209,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1,372.25332,[M+H]+,20.0,test,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1
548210,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1,372.25332,[M+H]+,60.0,test,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1
548211,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1,372.25332,[M+H]+,30.0,test,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1
548212,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1,372.25332,[M+H]+,20.0,test,O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccccc2)CC1
548213,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548214,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548215,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
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548222,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548223,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
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548225,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,45.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548226,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548227,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548228,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,45.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548229,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,425.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548230,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,425.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548231,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,425.21003,[M+Cl]-,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548232,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,425.21003,[M+Cl]-,15.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548233,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,425.21003,[M+Cl]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548234,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,425.21003,[M+Cl]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548235,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,425.21003,[M+Cl]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548236,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,425.21003,[M+Cl]-,60.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548237,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,425.21003,[M+Cl]-,30.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548238,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,425.21003,[M+Cl]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548239,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,435.23883,[M+FA]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548240,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,435.23883,[M+FA]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548241,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,435.23883,[M+FA]-,60.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548242,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,435.23883,[M+FA]-,15.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548243,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,435.23883,[M+FA]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548244,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548245,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548246,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548247,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548248,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548249,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548250,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548251,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548252,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,15.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548253,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548254,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548255,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548256,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548257,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,15.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548258,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548259,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,391.2479,[M+H]+,15.0,test,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
548260,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,391.2479,[M+H]+,15.0,test,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
548261,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,391.2479,[M+H]+,20.0,test,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
548262,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,391.2479,[M+H]+,60.0,test,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
548263,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,391.2479,[M+H]+,15.0,test,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
548264,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548265,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548266,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548267,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548268,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548269,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548270,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548271,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548272,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548273,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548274,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548275,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,15.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548276,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548277,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548278,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,15.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548279,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548280,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548281,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548282,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548283,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548284,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548285,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,391.2479,[M+H]+,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548286,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,391.2479,[M+H]+,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548287,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,391.2479,[M+H]+,60.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548288,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,391.2479,[M+H]+,15.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548289,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,391.2479,[M+H]+,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
548290,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548291,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548292,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548293,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548294,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,45.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548295,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548296,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548297,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,45.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548298,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548299,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548300,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548301,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548302,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548303,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,45.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548304,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548305,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,389.23335,[M-H]-,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548306,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548307,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548308,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548309,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548310,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548311,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548312,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548313,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548314,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548315,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548316,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548317,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,15.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548318,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548319,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548320,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548321,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548322,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,15.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548323,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,391.2479,[M+H]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548324,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548325,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548326,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,60.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548327,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,30.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548328,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,355.22678,[M+H-2H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548329,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
548330,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3c(C[C@H]2C[C@H]1O)c(OCC(=O)O)ccc3,373.23734,[M+H-H2O]+,20.0,test,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
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548390,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,493.26544,[M-H]-,30.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548391,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,493.26544,[M-H]-,20.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548392,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,477.26943,[M+H-H2O]+,20.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548393,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,477.26943,[M+H-H2O]+,20.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548394,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,477.26943,[M+H-H2O]+,60.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548395,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,477.26943,[M+H-H2O]+,15.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548396,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,477.26943,[M+H-H2O]+,20.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548397,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,495.27999,[M+H]+,60.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548398,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,495.27999,[M+H]+,60.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548399,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,495.27999,[M+H]+,20.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548400,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,495.27999,[M+H]+,60.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548401,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC,495.27999,[M+H]+,60.0,test,CCC(C)C(CC(O)CC(=O)O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC
548402,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,485.02003,[M-H]-,20.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548403,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,485.02003,[M-H]-,20.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548404,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,485.02003,[M-H]-,60.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548405,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,485.02003,[M-H]-,30.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548406,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,485.02003,[M-H]-,20.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548407,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,469.02402,[M+H-H2O]+,20.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548408,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,469.02402,[M+H-H2O]+,20.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548409,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,469.02402,[M+H-H2O]+,60.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548410,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,469.02402,[M+H-H2O]+,30.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548411,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,504.06113,[M+NH4]+,20.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548412,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,504.06113,[M+NH4]+,20.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548413,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,504.06113,[M+NH4]+,15.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548414,CC(=O)Oc1c(Cl)cc2c(c1)Oc1cc(OC(C)=O)c(Cl)cc1C2c1ccccc1C(=O)O,504.06113,[M+NH4]+,20.0,test,CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
548415,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2cc(C(F)F)ncc2)c2c1c(F)ccc2,432.14306,[M+H]+,20.0,test,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21
548416,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2cc(C(F)F)ncc2)c2c1c(F)ccc2,432.14306,[M+H]+,20.0,test,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21
548417,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2cc(C(F)F)ncc2)c2c1c(F)ccc2,432.14306,[M+H]+,60.0,test,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21
548418,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2cc(C(F)F)ncc2)c2c1c(F)ccc2,432.14306,[M+H]+,20.0,test,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21
548419,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2cc(C(F)F)ncc2)c2c1c(F)ccc2,432.14306,[M+H]+,60.0,test,NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21
548420,COc1ccccc1-c1noc(-c2cn(-c3cc(F)ccc3)c(=O)c3ccccc23)n1,414.12485,[M+H]+,30.0,test,COc1ccccc1-c1noc(-c2cn(-c3cccc(F)c3)c(=O)c3ccccc23)n1
548421,COc1ccccc1-c1noc(-c2cn(-c3cc(F)ccc3)c(=O)c3ccccc23)n1,414.12485,[M+H]+,30.0,test,COc1ccccc1-c1noc(-c2cn(-c3cccc(F)c3)c(=O)c3ccccc23)n1
548422,COc1ccccc1-c1noc(-c2cn(-c3cc(F)ccc3)c(=O)c3ccccc23)n1,414.12485,[M+H]+,60.0,test,COc1ccccc1-c1noc(-c2cn(-c3cccc(F)c3)c(=O)c3ccccc23)n1
548423,COc1ccccc1-c1noc(-c2cn(-c3cc(F)ccc3)c(=O)c3ccccc23)n1,414.12485,[M+H]+,30.0,test,COc1ccccc1-c1noc(-c2cn(-c3cccc(F)c3)c(=O)c3ccccc23)n1
548424,CC(=O)Oc1cc2c(cc1)C1(OC(=O)c3ccccc31)c1c(cc(OC(C)=O)cc1)O2,417.09688,[M+H]+,20.0,test,CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21
548425,CC(=O)Oc1cc2c(cc1)C1(OC(=O)c3ccccc31)c1c(cc(OC(C)=O)cc1)O2,417.09688,[M+H]+,20.0,test,CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21
548426,CC(=O)Oc1cc2c(cc1)C1(OC(=O)c3ccccc31)c1c(cc(OC(C)=O)cc1)O2,417.09688,[M+H]+,60.0,test,CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21
548427,CC(=O)Oc1cc2c(cc1)C1(OC(=O)c3ccccc31)c1c(cc(OC(C)=O)cc1)O2,417.09688,[M+H]+,30.0,test,CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21
548428,CC(=O)Oc1cc2c(cc1)C1(OC(=O)c3ccccc31)c1c(cc(OC(C)=O)cc1)O2,417.09688,[M+H]+,20.0,test,CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21
548429,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,474.07254,[M-H]-,20.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548430,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,474.07254,[M-H]-,20.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548431,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,474.07254,[M-H]-,60.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548432,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,474.07254,[M-H]-,20.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548433,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,474.07254,[M-H]-,45.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548434,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,476.0871,[M+H]+,20.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548435,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,476.0871,[M+H]+,20.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548436,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,476.0871,[M+H]+,60.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548437,COc1c(Cl)cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1,476.0871,[M+H]+,60.0,test,COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl
548438,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,468.11766,[M-H]-,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548439,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,468.11766,[M-H]-,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548440,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,468.11766,[M-H]-,60.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548441,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,468.11766,[M-H]-,15.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548442,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,468.11766,[M-H]-,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548443,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,468.11766,[M-H]-,60.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548444,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,468.11766,[M-H]-,15.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548445,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,468.11766,[M-H]-,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548446,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,504.09434,[M+Cl]-,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548447,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,504.09434,[M+Cl]-,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548448,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,504.09434,[M+Cl]-,60.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548449,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,504.09434,[M+Cl]-,15.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548450,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,504.09434,[M+Cl]-,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548451,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,470.13222,[M+H]+,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548452,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,470.13222,[M+H]+,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548453,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,470.13222,[M+H]+,60.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548454,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,470.13222,[M+H]+,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548455,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,470.13222,[M+H]+,45.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548456,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,470.13222,[M+H]+,60.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548457,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,470.13222,[M+H]+,20.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548458,COc1cc2nccc(Oc3cc(F)c(NC(=O)Nc4c(F)cc(F)cc4)cc3)c2cc1OC,470.13222,[M+H]+,45.0,test,COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
548459,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F,372.13943,[M+H]+,20.0,test,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F
548460,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F,372.13943,[M+H]+,20.0,test,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F
548461,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F,372.13943,[M+H]+,45.0,test,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F
548462,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F,372.13943,[M+H]+,60.0,test,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F
548463,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F,372.13943,[M+H]+,20.0,test,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F
548464,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F,372.13943,[M+H]+,60.0,test,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F
548465,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F,372.13943,[M+H]+,45.0,test,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F
548466,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F,372.13943,[M+H]+,20.0,test,Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F
548467,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,482.09916,[M-H]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548468,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,482.09916,[M-H]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548469,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,482.09916,[M-H]-,60.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548470,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,482.09916,[M-H]-,15.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548471,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,482.09916,[M-H]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548472,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,482.09916,[M-H]-,60.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548473,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,482.09916,[M-H]-,15.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548474,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,482.09916,[M-H]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548475,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,518.07583,[M+Cl]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548476,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,518.07583,[M+Cl]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548477,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,518.07583,[M+Cl]-,60.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548478,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,518.07583,[M+Cl]-,15.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548479,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,518.07583,[M+Cl]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548480,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,528.10464,[M+FA]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548481,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,528.10464,[M+FA]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548482,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,528.10464,[M+FA]-,60.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548483,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,528.10464,[M+FA]-,15.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548484,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,528.10464,[M+FA]-,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548485,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,484.11371,[M+H]+,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548486,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,484.11371,[M+H]+,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548487,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,484.11371,[M+H]+,60.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548488,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,484.11371,[M+H]+,30.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548489,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,484.11371,[M+H]+,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548490,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,484.11371,[M+H]+,60.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548491,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,484.11371,[M+H]+,30.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548492,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,484.11371,[M+H]+,20.0,test,O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
548493,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,484.14021,[M-H]-,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548494,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,484.14021,[M-H]-,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548495,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,484.14021,[M-H]-,60.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548496,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,484.14021,[M-H]-,45.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548497,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,484.14021,[M-H]-,60.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548498,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,484.14021,[M-H]-,45.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548499,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,520.11689,[M+Cl]-,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548500,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,520.11689,[M+Cl]-,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548501,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,520.11689,[M+Cl]-,60.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548502,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,520.11689,[M+Cl]-,15.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548503,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,520.11689,[M+Cl]-,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548504,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,530.14569,[M+FA]-,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548505,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,530.14569,[M+FA]-,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548506,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,530.14569,[M+FA]-,60.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548507,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,530.14569,[M+FA]-,15.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548508,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,530.14569,[M+FA]-,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548509,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,486.15476,[M+H]+,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548510,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,486.15476,[M+H]+,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548511,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,486.15476,[M+H]+,60.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548512,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,486.15476,[M+H]+,30.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548513,Cn1ccc(-c2cncc(CNc3c(F)ccc(C(=O)Nc4cc(OC(F)(F)F)ccc4)c3)c2)n1,486.15476,[M+H]+,20.0,test,Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1
548514,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,408.1466,[M-H]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548515,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,408.1466,[M-H]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548516,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,408.1466,[M-H]-,60.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548517,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,408.1466,[M-H]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548518,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,408.1466,[M-H]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548519,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,408.1466,[M-H]-,60.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548520,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,444.12328,[M+Cl]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548521,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,444.12328,[M+Cl]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548522,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,444.12328,[M+Cl]-,60.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548523,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,454.15208,[M+FA]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548524,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,454.15208,[M+FA]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548525,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,454.15208,[M+FA]-,60.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548526,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,454.15208,[M+FA]-,15.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548527,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,454.15208,[M+FA]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548528,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,454.15208,[M+FA]-,15.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548529,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,454.15208,[M+FA]-,60.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548530,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,454.15208,[M+FA]-,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548531,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,410.16115,[M+H]+,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548532,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,410.16115,[M+H]+,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548533,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,410.16115,[M+H]+,45.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548534,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,410.16115,[M+H]+,60.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548535,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,410.16115,[M+H]+,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548536,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,410.16115,[M+H]+,45.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548537,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,410.16115,[M+H]+,60.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548538,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1,410.16115,[M+H]+,20.0,test,O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
548539,Cn1cc(-c2cc3c(cc2)N(C(=O)Cc2cc(C(F)(F)F)ccc2)CC3)c2c(N)ncnc21,452.16927,[M+H]+,15.0,test,Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
548540,Cn1cc(-c2cc3c(cc2)N(C(=O)Cc2cc(C(F)(F)F)ccc2)CC3)c2c(N)ncnc21,452.16927,[M+H]+,15.0,test,Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
548541,Cn1cc(-c2cc3c(cc2)N(C(=O)Cc2cc(C(F)(F)F)ccc2)CC3)c2c(N)ncnc21,452.16927,[M+H]+,20.0,test,Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
548542,Cn1cc(-c2cc3c(cc2)N(C(=O)Cc2cc(C(F)(F)F)ccc2)CC3)c2c(N)ncnc21,452.16927,[M+H]+,60.0,test,Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
548543,Cn1cc(-c2cc3c(cc2)N(C(=O)Cc2cc(C(F)(F)F)ccc2)CC3)c2c(N)ncnc21,452.16927,[M+H]+,15.0,test,Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
548544,Cn1cc(-c2cc3c(cc2)N(C(=O)Cc2cc(C(F)(F)F)ccc2)CC3)c2c(N)ncnc21,452.16927,[M+H]+,20.0,test,Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
548545,Cn1cc(-c2cc3c(cc2)N(C(=O)Cc2cc(C(F)(F)F)ccc2)CC3)c2c(N)ncnc21,452.16927,[M+H]+,60.0,test,Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
548546,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,397.15577,[M+FA]-,20.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548547,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,397.15577,[M+FA]-,60.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548548,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,397.15577,[M+FA]-,15.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548549,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,397.15577,[M+FA]-,20.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548550,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,353.16484,[M+H]+,45.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548551,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,353.16484,[M+H]+,45.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548552,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,353.16484,[M+H]+,60.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548553,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,353.16484,[M+H]+,20.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548554,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,353.16484,[M+H]+,45.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548555,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,353.16484,[M+H]+,60.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548556,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,353.16484,[M+H]+,20.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548557,OC1c2c3c(cccc3ccc2)C1(Cc1cnccc1)Cc1cnccc1,353.16484,[M+H]+,45.0,test,OC1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
548558,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,459.11325,[M-H]-,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548559,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,459.11325,[M-H]-,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548560,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,459.11325,[M-H]-,60.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548561,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,459.11325,[M-H]-,30.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548562,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,459.11325,[M-H]-,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548563,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,459.11325,[M-H]-,60.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548564,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,459.11325,[M-H]-,30.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548565,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,459.11325,[M-H]-,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548566,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,505.11873,[M+FA]-,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548567,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,505.11873,[M+FA]-,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548568,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,505.11873,[M+FA]-,60.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548569,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,505.11873,[M+FA]-,15.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548570,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,505.11873,[M+FA]-,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548571,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,461.1278,[M+H]+,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548572,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,461.1278,[M+H]+,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548573,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,461.1278,[M+H]+,60.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548574,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,461.1278,[M+H]+,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548575,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,461.1278,[M+H]+,45.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548576,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,461.1278,[M+H]+,60.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548577,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,461.1278,[M+H]+,20.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548578,COc1nn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c(-c2cc3c(cc2)OCO3)n1,461.1278,[M+H]+,45.0,test,COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1
548579,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,439.13465,[M-H]-,20.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548580,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,439.13465,[M-H]-,20.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548581,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,439.13465,[M-H]-,60.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548582,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,439.13465,[M-H]-,30.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548583,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,439.13465,[M-H]-,20.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548584,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,441.14921,[M+H]+,20.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548585,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,441.14921,[M+H]+,20.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548586,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,441.14921,[M+H]+,60.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548587,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,441.14921,[M+H]+,20.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548588,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,441.14921,[M+H]+,45.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548589,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,441.14921,[M+H]+,60.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548590,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,441.14921,[M+H]+,20.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548591,Cc1cc2nc(C)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2cc1,441.14921,[M+H]+,45.0,test,Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1
548592,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,447.12294,[M-H]-,20.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548593,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,447.12294,[M-H]-,20.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548594,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,447.12294,[M-H]-,60.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548595,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,447.12294,[M-H]-,20.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548596,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,447.12294,[M-H]-,60.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548597,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,447.12294,[M-H]-,20.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548598,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,449.13749,[M+H]+,20.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548599,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,449.13749,[M+H]+,20.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548600,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,449.13749,[M+H]+,45.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548601,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,449.13749,[M+H]+,60.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548602,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,449.13749,[M+H]+,20.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548603,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,449.13749,[M+H]+,45.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548604,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,449.13749,[M+H]+,60.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548605,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1,449.13749,[M+H]+,20.0,test,COc1ccccc1CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[nH]n3c2=O)C1
548606,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2c(cco2)n1Cc1ccccc1F,421.15581,[M+H]+,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccccc1F
548607,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2c(cco2)n1Cc1ccccc1F,421.15581,[M+H]+,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccccc1F
548608,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2c(cco2)n1Cc1ccccc1F,421.15581,[M+H]+,60.0,test,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccccc1F
548609,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2c(cco2)n1Cc1ccccc1F,421.15581,[M+H]+,15.0,test,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccccc1F
548610,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2c(cco2)n1Cc1ccccc1F,421.15581,[M+H]+,20.0,test,COC(=O)C(Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccccc1F
548611,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,398.15102,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548612,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,398.15102,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548613,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,398.15102,[M-H]-,60.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548614,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,398.15102,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548615,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,398.15102,[M-H]-,45.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548616,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,398.15102,[M-H]-,60.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548617,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,398.15102,[M-H]-,20.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548618,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,398.15102,[M-H]-,45.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548619,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,400.16557,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548620,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,400.16557,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548621,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,400.16557,[M+H]+,60.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548622,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,400.16557,[M+H]+,20.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548623,O=C(O)c1cc2c(cc1)n(CCCc1ccccc1)c(NC(=O)c1ccccc1)n2,400.16557,[M+H]+,45.0,test,O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1
548624,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1,400.16557,[M+H]+,20.0,test,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
548625,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1,400.16557,[M+H]+,20.0,test,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
548626,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1,400.16557,[M+H]+,45.0,test,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
548627,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1,400.16557,[M+H]+,60.0,test,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
548628,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1,400.16557,[M+H]+,20.0,test,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
548629,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1,400.16557,[M+H]+,60.0,test,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
548630,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1,400.16557,[M+H]+,20.0,test,CCOc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
548631,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21,400.16557,[M+H]+,20.0,test,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21
548632,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21,400.16557,[M+H]+,20.0,test,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21
548633,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21,400.16557,[M+H]+,45.0,test,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21
548634,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21,400.16557,[M+H]+,60.0,test,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21
548635,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21,400.16557,[M+H]+,20.0,test,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21
548636,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21,400.16557,[M+H]+,60.0,test,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21
548637,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21,400.16557,[M+H]+,45.0,test,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21
548638,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21,400.16557,[M+H]+,20.0,test,Cn1cc(-c2ccco2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21
548639,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548640,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548641,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,60.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548642,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,30.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548643,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548644,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548645,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548646,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,60.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548647,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,30.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548648,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,490.11906,[M-H]-,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548649,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548650,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548651,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,60.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548652,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548653,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,45.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548654,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,60.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548655,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548656,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,45.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548657,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548658,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548659,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,60.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548660,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548661,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,45.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548662,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,60.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548663,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,20.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548664,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,492.13362,[M+H]+,45.0,test,COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC
548665,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,337.14612,[M-H2O]+,20.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548666,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,337.14612,[M-H2O]+,20.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548667,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,337.14612,[M-H2O]+,60.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548668,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,337.14612,[M-H2O]+,20.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548669,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,337.14612,[M-H2O]+,45.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548670,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,356.1645,[M+H]+,20.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548671,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,356.1645,[M+H]+,20.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548672,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,356.1645,[M+H]+,60.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548673,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,356.1645,[M+H]+,15.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548674,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1,356.1645,[M+H]+,20.0,test,O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1
548675,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,516.15003,[M-H]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548676,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,516.15003,[M-H]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548677,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,516.15003,[M-H]-,60.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548678,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,516.15003,[M-H]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548679,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,516.15003,[M-H]-,45.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548680,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,516.15003,[M-H]-,60.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548681,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,516.15003,[M-H]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548682,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,516.15003,[M-H]-,45.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548683,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,552.1267,[M+Cl]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548684,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,552.1267,[M+Cl]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548685,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,552.1267,[M+Cl]-,60.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548686,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,552.1267,[M+Cl]-,15.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548687,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,552.1267,[M+Cl]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548688,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,562.15551,[M+FA]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548689,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,562.15551,[M+FA]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548690,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,562.15551,[M+FA]-,60.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548691,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,562.15551,[M+FA]-,15.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548692,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,562.15551,[M+FA]-,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548693,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,518.16458,[M+H]+,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548694,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,518.16458,[M+H]+,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548695,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,518.16458,[M+H]+,60.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548696,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,518.16458,[M+H]+,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548697,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,518.16458,[M+H]+,45.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548698,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,518.16458,[M+H]+,60.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548699,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,518.16458,[M+H]+,20.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548700,COc1c(OC)cc2c(Oc3cccc(NC(=O)Nc4noc(C(C)(C)C(F)(F)F)c4)c3)ncnc2c1,518.16458,[M+H]+,45.0,test,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
548701,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,385.15577,[M-H]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548702,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,385.15577,[M-H]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548703,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,385.15577,[M-H]-,60.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548704,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,385.15577,[M-H]-,30.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548705,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,385.15577,[M-H]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548706,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,385.15577,[M-H]-,60.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548707,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,385.15577,[M-H]-,30.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548708,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,385.15577,[M-H]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548709,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,421.13244,[M+Cl]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548710,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,421.13244,[M+Cl]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548711,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,421.13244,[M+Cl]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548712,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,431.16125,[M+FA]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548713,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,431.16125,[M+FA]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548714,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,431.16125,[M+FA]-,60.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548715,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,431.16125,[M+FA]-,15.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548716,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,431.16125,[M+FA]-,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548717,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,387.17032,[M+H]+,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548718,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,387.17032,[M+H]+,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548719,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,387.17032,[M+H]+,60.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548720,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,387.17032,[M+H]+,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548721,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,387.17032,[M+H]+,45.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548722,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,387.17032,[M+H]+,60.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548723,CCc1cc2c(cc1)nc(-c1cc(OC)ccc1)cc2C(=O)NCc1ccco1,387.17032,[M+H]+,20.0,test,CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1
548724,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,385.15577,[M-H]-,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548725,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,385.15577,[M-H]-,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548726,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,385.15577,[M-H]-,45.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548727,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,385.15577,[M-H]-,60.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548728,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,385.15577,[M-H]-,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548729,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,385.15577,[M-H]-,45.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548730,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,385.15577,[M-H]-,60.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548731,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,385.15577,[M-H]-,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548732,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,431.16125,[M+FA]-,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548733,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,431.16125,[M+FA]-,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548734,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,431.16125,[M+FA]-,60.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548735,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,431.16125,[M+FA]-,30.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548736,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,431.16125,[M+FA]-,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548737,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,387.17032,[M+H]+,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548738,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,387.17032,[M+H]+,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548739,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,387.17032,[M+H]+,60.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548740,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,387.17032,[M+H]+,15.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548741,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,387.17032,[M+H]+,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548742,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,387.17032,[M+H]+,60.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548743,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,387.17032,[M+H]+,15.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548744,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O,387.17032,[M+H]+,20.0,test,CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
548745,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,413.16192,[M-H]-,20.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548746,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,413.16192,[M-H]-,20.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548747,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,413.16192,[M-H]-,60.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548748,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,413.16192,[M-H]-,20.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548749,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,413.16192,[M-H]-,45.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548750,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,413.16192,[M-H]-,60.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548751,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,413.16192,[M-H]-,20.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548752,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,413.16192,[M-H]-,45.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548753,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,415.17647,[M+H]+,20.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548754,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,415.17647,[M+H]+,20.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548755,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,415.17647,[M+H]+,60.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548756,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,415.17647,[M+H]+,15.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548757,Cc1ccc(-c2cccc(CNC(=O)Nc3cc(N4C(=O)CNC4=O)ccc3)c2)cc1,415.17647,[M+H]+,20.0,test,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
548758,Cc1c(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)ccc(C(N)=O)c1,415.17647,[M+H]+,20.0,test,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
548759,Cc1c(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)ccc(C(N)=O)c1,415.17647,[M+H]+,20.0,test,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
548760,Cc1c(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)ccc(C(N)=O)c1,415.17647,[M+H]+,60.0,test,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
548761,Cc1c(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)ccc(C(N)=O)c1,415.17647,[M+H]+,20.0,test,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
548762,Cc1c(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)ccc(C(N)=O)c1,415.17647,[M+H]+,45.0,test,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
548763,Cc1c(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)ccc(C(N)=O)c1,415.17647,[M+H]+,60.0,test,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
548764,Cc1c(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)ccc(C(N)=O)c1,415.17647,[M+H]+,20.0,test,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
548765,Cc1c(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)ccc(C(N)=O)c1,415.17647,[M+H]+,45.0,test,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
548766,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,413.16192,[M-H]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548767,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,413.16192,[M-H]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548768,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,413.16192,[M-H]-,60.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548769,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,413.16192,[M-H]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548770,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,413.16192,[M-H]-,45.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548771,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,413.16192,[M-H]-,60.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548772,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,413.16192,[M-H]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548773,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,413.16192,[M-H]-,45.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548774,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,415.17647,[M+H]+,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548775,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,415.17647,[M+H]+,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548776,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,415.17647,[M+H]+,60.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548777,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,415.17647,[M+H]+,30.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548778,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,415.17647,[M+H]+,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548779,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,415.17647,[M+H]+,60.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548780,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,415.17647,[M+H]+,30.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548781,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2c3cc[nH]c3ncc2)cc1,415.17647,[M+H]+,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548782,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,413.16192,[M-H]-,20.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548783,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,413.16192,[M-H]-,20.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548784,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,413.16192,[M-H]-,45.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548785,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,413.16192,[M-H]-,60.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548786,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,413.16192,[M-H]-,20.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548787,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,413.16192,[M-H]-,60.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548788,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,413.16192,[M-H]-,45.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548789,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,413.16192,[M-H]-,20.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548790,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,413.16192,[M-H]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548791,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,413.16192,[M-H]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548792,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,413.16192,[M-H]-,45.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548793,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,413.16192,[M-H]-,60.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548794,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,413.16192,[M-H]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548795,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,413.16192,[M-H]-,45.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548796,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,413.16192,[M-H]-,60.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548797,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,413.16192,[M-H]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548798,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,459.16739,[M+FA]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548799,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,459.16739,[M+FA]-,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548800,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1,415.17647,[M+H]+,20.0,test,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1
548801,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1,415.17647,[M+H]+,20.0,test,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1
548802,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1,415.17647,[M+H]+,60.0,test,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1
548803,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1,415.17647,[M+H]+,20.0,test,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1
548804,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1,415.17647,[M+H]+,60.0,test,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1
548805,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1,415.17647,[M+H]+,20.0,test,Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1
548806,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,415.17647,[M+H]+,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548807,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,415.17647,[M+H]+,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548808,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,415.17647,[M+H]+,30.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548809,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,415.17647,[M+H]+,60.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548810,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,415.17647,[M+H]+,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548811,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,415.17647,[M+H]+,45.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548812,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,415.17647,[M+H]+,60.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548813,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,415.17647,[M+H]+,20.0,test,C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
548814,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,415.17647,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548815,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,415.17647,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548816,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,415.17647,[M+H]+,45.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548817,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,415.17647,[M+H]+,60.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548818,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1,415.17647,[M+H]+,20.0,test,CC(Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[nH]n3c2=O)C1
548819,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,420.1275,[M-H]-,20.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548820,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,420.1275,[M-H]-,20.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548821,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,420.1275,[M-H]-,45.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548822,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,420.1275,[M-H]-,60.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548823,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,420.1275,[M-H]-,20.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548824,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,420.1275,[M-H]-,45.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548825,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,420.1275,[M-H]-,60.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548826,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,420.1275,[M-H]-,20.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548827,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,422.14205,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548828,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,422.14205,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548829,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,422.14205,[M+H]+,60.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548830,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,422.14205,[M+H]+,30.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548831,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1,422.14205,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1
548832,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,448.15458,[M-H]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548833,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,448.15458,[M-H]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548834,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,448.15458,[M-H]-,45.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548835,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,448.15458,[M-H]-,60.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548836,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,448.15458,[M-H]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548837,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,484.13125,[M+Cl]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548838,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,494.16006,[M+FA]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548839,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,494.16006,[M+FA]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548840,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,494.16006,[M+FA]-,60.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548841,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,494.16006,[M+FA]-,15.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548842,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,494.16006,[M+FA]-,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548843,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,450.16913,[M+H]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548844,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,450.16913,[M+H]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548845,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,450.16913,[M+H]+,60.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548846,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,450.16913,[M+H]+,30.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548847,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1,450.16913,[M+H]+,20.0,test,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
548848,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,494.18452,[M+FA]-,15.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548849,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,494.18452,[M+FA]-,20.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548850,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,494.18452,[M+FA]-,60.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548851,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,494.18452,[M+FA]-,15.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548852,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,450.19359,[M+H]+,20.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548853,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,450.19359,[M+H]+,20.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548854,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,450.19359,[M+H]+,60.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548855,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,450.19359,[M+H]+,20.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548856,CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cnccc4)cn(C4CC4)c3c2)CC1,450.19359,[M+H]+,45.0,test,CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1
548857,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,494.18452,[M+FA]-,60.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548858,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,494.18452,[M+FA]-,15.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548859,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,494.18452,[M+FA]-,20.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548860,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,450.19359,[M+H]+,20.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548861,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,450.19359,[M+H]+,20.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548862,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,450.19359,[M+H]+,60.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548863,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,450.19359,[M+H]+,30.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548864,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,450.19359,[M+H]+,20.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548865,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,450.19359,[M+H]+,60.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548866,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,450.19359,[M+H]+,30.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548867,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1,450.19359,[M+H]+,20.0,test,COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
548868,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,415.15981,[M-H]-,45.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548869,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,415.15981,[M-H]-,45.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548870,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,415.15981,[M-H]-,60.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548871,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,415.15981,[M-H]-,45.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548872,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,417.17436,[M+H]+,20.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548873,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,417.17436,[M+H]+,20.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548874,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,417.17436,[M+H]+,60.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548875,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,417.17436,[M+H]+,20.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548876,COc1c(-n2cnc(C)c2)ccc(Nc2nc3c(CCCC3c3ccccc3)s2)c1,417.17436,[M+H]+,60.0,test,COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
548877,Cc1nn(-c2cc(N3CCN(c4nc5ccccc5c(C#N)c4)CC3)nc(C)n2)c(C)c1,425.21967,[M+H]+,45.0,test,Cc1cc(C)n(-c2cc(N3CCN(c4cc(C#N)c5ccccc5n4)CC3)nc(C)n2)n1
548878,Cc1nn(-c2cc(N3CCN(c4nc5ccccc5c(C#N)c4)CC3)nc(C)n2)c(C)c1,425.21967,[M+H]+,45.0,test,Cc1cc(C)n(-c2cc(N3CCN(c4cc(C#N)c5ccccc5n4)CC3)nc(C)n2)n1
548879,Cc1nn(-c2cc(N3CCN(c4nc5ccccc5c(C#N)c4)CC3)nc(C)n2)c(C)c1,425.21967,[M+H]+,20.0,test,Cc1cc(C)n(-c2cc(N3CCN(c4cc(C#N)c5ccccc5n4)CC3)nc(C)n2)n1
548880,Cc1nn(-c2cc(N3CCN(c4nc5ccccc5c(C#N)c4)CC3)nc(C)n2)c(C)c1,425.21967,[M+H]+,60.0,test,Cc1cc(C)n(-c2cc(N3CCN(c4cc(C#N)c5ccccc5n4)CC3)nc(C)n2)n1
548881,Cc1nn(-c2cc(N3CCN(c4nc5ccccc5c(C#N)c4)CC3)nc(C)n2)c(C)c1,425.21967,[M+H]+,45.0,test,Cc1cc(C)n(-c2cc(N3CCN(c4cc(C#N)c5ccccc5n4)CC3)nc(C)n2)n1
548882,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,451.15424,[M-H]-,20.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548883,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,451.15424,[M-H]-,60.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548884,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,497.15972,[M+FA]-,20.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548885,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,497.15972,[M+FA]-,20.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548886,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,497.15972,[M+FA]-,60.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548887,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,497.15972,[M+FA]-,15.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548888,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,497.15972,[M+FA]-,20.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548889,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,453.16879,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548890,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,453.16879,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548891,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,453.16879,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548892,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,453.16879,[M+H]+,30.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548893,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,453.16879,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548894,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,453.16879,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548895,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,453.16879,[M+H]+,30.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548896,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1,453.16879,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
548897,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,486.1846,[M+FA]-,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548898,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,486.1846,[M+FA]-,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548899,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,486.1846,[M+FA]-,60.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548900,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,486.1846,[M+FA]-,15.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548901,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,486.1846,[M+FA]-,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548902,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,424.18311,[M+H-H2O]+,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548903,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,424.18311,[M+H-H2O]+,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548904,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,424.18311,[M+H-H2O]+,15.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548905,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,424.18311,[M+H-H2O]+,60.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548906,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,424.18311,[M+H-H2O]+,30.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548907,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,424.18311,[M+H-H2O]+,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548908,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,424.18311,[M+H-H2O]+,60.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548909,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,424.18311,[M+H-H2O]+,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548910,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,442.19367,[M+H]+,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548911,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,442.19367,[M+H]+,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548912,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,442.19367,[M+H]+,60.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548913,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,442.19367,[M+H]+,15.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548914,Cc1c(F)ccc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)c1,442.19367,[M+H]+,20.0,test,Cc1cc(-c2noc(CCC(=O)N3CCCC3CC(O)c3ccc(F)cc3)n2)ccc1F
548915,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,20.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548916,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,20.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548917,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,60.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548918,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,20.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548919,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,60.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548920,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,20.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548921,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,20.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548922,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,20.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548923,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,60.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548924,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,20.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548925,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,60.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548926,COc1ccc(-n2cnc3c2ccc(NCc2ccc(C(C)C)cc2)c3)cc1,372.20704,[M+H]+,20.0,test,COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
548927,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1,372.20704,[M+H]+,20.0,test,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1
548928,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1,372.20704,[M+H]+,20.0,test,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1
548929,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1,372.20704,[M+H]+,45.0,test,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1
548930,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1,372.20704,[M+H]+,60.0,test,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1
548931,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1,372.20704,[M+H]+,20.0,test,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1
548932,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1,372.20704,[M+H]+,60.0,test,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1
548933,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1,372.20704,[M+H]+,20.0,test,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1
548934,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1,372.20704,[M+H]+,45.0,test,CCc1ccc(-c2nc3ccccn3c2CNCc2ccc(OC)cc2)cc1
548935,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,386.1874,[M-H]-,20.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548936,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,386.1874,[M-H]-,20.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548937,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,386.1874,[M-H]-,60.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548938,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,386.1874,[M-H]-,30.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548939,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,386.1874,[M-H]-,20.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548940,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,370.19139,[M+H-H2O]+,30.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548941,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,370.19139,[M+H-H2O]+,30.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548942,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,370.19139,[M+H-H2O]+,20.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548943,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,370.19139,[M+H-H2O]+,60.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548944,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,370.19139,[M+H-H2O]+,30.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548945,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,388.20195,[M+H]+,20.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548946,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,388.20195,[M+H]+,20.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548947,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,388.20195,[M+H]+,60.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548948,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,388.20195,[M+H]+,15.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548949,CN(c1ccccc1)c1cc2c(cc1)[C@H](CNc1c(C(=O)O)ccnc1)CCC2,388.20195,[M+H]+,20.0,test,CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
548950,CCN(CC)CCCNC(=O)c1c2cccc3-c4ccccc4C(=O)c(c32)nc1,388.20195,[M+H]+,20.0,test,CCN(CC)CCCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O
548951,CCN(CC)CCCNC(=O)c1c2cccc3-c4ccccc4C(=O)c(c32)nc1,388.20195,[M+H]+,20.0,test,CCN(CC)CCCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O
548952,CCN(CC)CCCNC(=O)c1c2cccc3-c4ccccc4C(=O)c(c32)nc1,388.20195,[M+H]+,60.0,test,CCN(CC)CCCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O
548953,CCN(CC)CCCNC(=O)c1c2cccc3-c4ccccc4C(=O)c(c32)nc1,388.20195,[M+H]+,20.0,test,CCN(CC)CCCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O
548954,CCN(CC)CCCNC(=O)c1c2cccc3-c4ccccc4C(=O)c(c32)nc1,388.20195,[M+H]+,45.0,test,CCN(CC)CCCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O
548955,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,386.1874,[M-H]-,20.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548956,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,386.1874,[M-H]-,20.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548957,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,386.1874,[M-H]-,60.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548958,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,386.1874,[M-H]-,20.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548959,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,386.1874,[M-H]-,45.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548960,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,388.20195,[M+H]+,20.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548961,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,388.20195,[M+H]+,20.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548962,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,388.20195,[M+H]+,60.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548963,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,388.20195,[M+H]+,30.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548964,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,388.20195,[M+H]+,20.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548965,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,388.20195,[M+H]+,60.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548966,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,388.20195,[M+H]+,30.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548967,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O,388.20195,[M+H]+,20.0,test,CC(C)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O
548968,COc1ccccc1N1CCN(/N=C\c2cc(Oc3ccccc3)ccc2)CC1,388.20195,[M+H]+,20.0,test,COc1ccccc1N1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1
548969,COc1ccccc1N1CCN(/N=C\c2cc(Oc3ccccc3)ccc2)CC1,388.20195,[M+H]+,20.0,test,COc1ccccc1N1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1
548970,COc1ccccc1N1CCN(/N=C\c2cc(Oc3ccccc3)ccc2)CC1,388.20195,[M+H]+,60.0,test,COc1ccccc1N1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1
548971,COc1ccccc1N1CCN(/N=C\c2cc(Oc3ccccc3)ccc2)CC1,388.20195,[M+H]+,30.0,test,COc1ccccc1N1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1
548972,COc1ccccc1N1CCN(/N=C\c2cc(Oc3ccccc3)ccc2)CC1,388.20195,[M+H]+,20.0,test,COc1ccccc1N1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1
548973,COc1ccccc1N1CCN(/N=C\c2cc(Oc3ccccc3)ccc2)CC1,388.20195,[M+H]+,60.0,test,COc1ccccc1N1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1
548974,COc1ccccc1N1CCN(/N=C\c2cc(Oc3ccccc3)ccc2)CC1,388.20195,[M+H]+,30.0,test,COc1ccccc1N1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1
548975,COc1ccccc1N1CCN(/N=C\c2cc(Oc3ccccc3)ccc2)CC1,388.20195,[M+H]+,20.0,test,COc1ccccc1N1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1
548976,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,414.19355,[M-H]-,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548977,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,414.19355,[M-H]-,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548978,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,414.19355,[M-H]-,60.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548979,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,414.19355,[M-H]-,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548980,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,414.19355,[M-H]-,45.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548981,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,450.17023,[M+Cl]-,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548982,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,450.17023,[M+Cl]-,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548983,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,450.17023,[M+Cl]-,30.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548984,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,450.17023,[M+Cl]-,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548985,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,416.2081,[M+H]+,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548986,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,416.2081,[M+H]+,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548987,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,416.2081,[M+H]+,60.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548988,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,416.2081,[M+H]+,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548989,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,416.2081,[M+H]+,45.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548990,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,416.2081,[M+H]+,60.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548991,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,416.2081,[M+H]+,20.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548992,Cc1nnc(-c2cc3c(cc2)ccn3CC(=O)Nc2cccc(CN3CCCC3)c2)o1,416.2081,[M+H]+,45.0,test,Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1
548993,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,414.19355,[M-H]-,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
548994,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,414.19355,[M-H]-,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
548995,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,414.19355,[M-H]-,45.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
548996,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,414.19355,[M-H]-,60.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
548997,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,414.19355,[M-H]-,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
548998,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,414.19355,[M-H]-,45.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
548999,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,414.19355,[M-H]-,60.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549000,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,414.19355,[M-H]-,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549001,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,450.17023,[M+Cl]-,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549002,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,450.17023,[M+Cl]-,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549003,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,450.17023,[M+Cl]-,60.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549004,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,450.17023,[M+Cl]-,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549005,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,414.19355,[M-H]-,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549006,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,414.19355,[M-H]-,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549007,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,414.19355,[M-H]-,45.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549008,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,414.19355,[M-H]-,60.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549009,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,414.19355,[M-H]-,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549010,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,414.19355,[M-H]-,60.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549011,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,414.19355,[M-H]-,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549012,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,450.17023,[M+Cl]-,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549013,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,450.17023,[M+Cl]-,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549014,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,450.17023,[M+Cl]-,60.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549015,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,450.17023,[M+Cl]-,15.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549016,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,450.17023,[M+Cl]-,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549017,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,416.2081,[M+H]+,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549018,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,416.2081,[M+H]+,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549019,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,416.2081,[M+H]+,60.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549020,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,416.2081,[M+H]+,30.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549021,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,416.2081,[M+H]+,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549022,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,416.2081,[M+H]+,60.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549023,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,416.2081,[M+H]+,30.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549024,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21,416.2081,[M+H]+,20.0,test,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
549025,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1,416.2081,[M+H]+,20.0,test,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
549026,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1,416.2081,[M+H]+,20.0,test,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
549027,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1,416.2081,[M+H]+,60.0,test,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
549028,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1,416.2081,[M+H]+,30.0,test,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
549029,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1,416.2081,[M+H]+,20.0,test,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
549030,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1,416.2081,[M+H]+,20.0,test,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
549031,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1,416.2081,[M+H]+,60.0,test,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
549032,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1,416.2081,[M+H]+,30.0,test,O=C(NCCCn1ccnc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
549033,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,416.2081,[M+H]+,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549034,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,416.2081,[M+H]+,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549035,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,416.2081,[M+H]+,45.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549036,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,416.2081,[M+H]+,60.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549037,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,416.2081,[M+H]+,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549038,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,416.2081,[M+H]+,60.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549039,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,416.2081,[M+H]+,45.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549040,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,416.2081,[M+H]+,20.0,test,CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
549041,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,422.16091,[M-H]-,20.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549042,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,422.16091,[M-H]-,20.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549043,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,422.16091,[M-H]-,60.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549044,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,422.16091,[M-H]-,30.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549045,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,422.16091,[M-H]-,20.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549046,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,422.16091,[M-H]-,60.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549047,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,422.16091,[M-H]-,30.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549048,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,422.16091,[M-H]-,20.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549049,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,422.16091,[M-H]-,20.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549050,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,422.16091,[M-H]-,20.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549051,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,422.16091,[M-H]-,60.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549052,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,422.16091,[M-H]-,30.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549053,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,422.16091,[M-H]-,20.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549054,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,422.16091,[M-H]-,60.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549055,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,422.16091,[M-H]-,30.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549056,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,422.16091,[M-H]-,20.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549057,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549058,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549059,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,60.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549060,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,30.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549061,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549062,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,60.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549063,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,30.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549064,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549065,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,20.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549066,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,20.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549067,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,60.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549068,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,30.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549069,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,20.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549070,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,60.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549071,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,30.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549072,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,422.16091,[M-H]-,20.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549073,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,424.17546,[M+H]+,20.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549074,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,424.17546,[M+H]+,20.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549075,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,424.17546,[M+H]+,60.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549076,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,424.17546,[M+H]+,30.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549077,Cc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2,424.17546,[M+H]+,20.0,test,Cc1c(C)c2ccc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O
549078,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549079,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549080,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,60.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549081,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,30.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549082,CCCc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,20.0,test,CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549083,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,424.17546,[M+H]+,20.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549084,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,424.17546,[M+H]+,20.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549085,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,424.17546,[M+H]+,60.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549086,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,424.17546,[M+H]+,30.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549087,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,424.17546,[M+H]+,20.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549088,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,424.17546,[M+H]+,60.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549089,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,424.17546,[M+H]+,30.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549090,CCCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,424.17546,[M+H]+,20.0,test,CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549091,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,20.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549092,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,20.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549093,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,60.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549094,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,30.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549095,CCc1cc(=O)oc2c1ccc(OC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2C,424.17546,[M+H]+,20.0,test,CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
549096,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,438.18346,[M-H]-,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549097,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,438.18346,[M-H]-,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549098,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,438.18346,[M-H]-,60.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549099,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,438.18346,[M-H]-,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549100,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,438.18346,[M-H]-,45.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549101,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,484.18894,[M+FA]-,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549102,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,484.18894,[M+FA]-,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549103,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,484.18894,[M+FA]-,60.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549104,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,484.18894,[M+FA]-,15.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549105,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,484.18894,[M+FA]-,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549106,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,484.18894,[M+FA]-,60.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549107,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,484.18894,[M+FA]-,15.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549108,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,484.18894,[M+FA]-,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549109,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,440.19801,[M+H]+,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549110,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,440.19801,[M+H]+,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549111,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,440.19801,[M+H]+,30.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549112,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,440.19801,[M+H]+,60.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549113,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,440.19801,[M+H]+,15.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549114,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,440.19801,[M+H]+,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549115,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,440.19801,[M+H]+,60.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549116,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,440.19801,[M+H]+,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549117,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,457.22456,[M+NH4]+,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549118,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,457.22456,[M+NH4]+,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549119,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,457.22456,[M+NH4]+,60.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549120,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,457.22456,[M+NH4]+,30.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549121,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1cc(C(N)=O)c(F)cc1)OCCO3,457.22456,[M+NH4]+,20.0,test,CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
549122,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549123,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549124,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,60.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549125,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,30.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549126,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549127,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,410.17731,[M-H]-,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549128,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,410.17731,[M-H]-,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549129,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,410.17731,[M-H]-,60.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549130,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,410.17731,[M-H]-,30.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549131,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,410.17731,[M-H]-,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549132,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,410.17731,[M-H]-,60.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549133,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,410.17731,[M-H]-,30.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549134,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,410.17731,[M-H]-,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549135,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,446.15399,[M+Cl]-,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549136,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,446.15399,[M+Cl]-,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549137,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,446.15399,[M+Cl]-,60.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549138,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,446.15399,[M+Cl]-,15.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549139,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,446.15399,[M+Cl]-,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549140,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,394.1813,[M+H-H2O]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549141,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,394.1813,[M+H-H2O]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549142,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,394.1813,[M+H-H2O]+,60.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549143,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,394.1813,[M+H-H2O]+,30.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549144,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,394.1813,[M+H-H2O]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549145,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,411.18404,[M]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549146,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,411.18404,[M]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549147,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,411.18404,[M]+,60.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549148,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,411.18404,[M]+,30.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549149,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,411.18404,[M]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549150,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549151,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549152,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,60.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549153,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,30.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549154,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549155,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,60.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549156,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,30.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549157,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,412.19186,[M+H]+,20.0,test,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
549158,O=C(c1cc2c(cc1)ncn2-c1ccc(Cl)cc1)N1CCCN(CC2CCCO2)CC1,439.18953,[M+H]+,20.0,test,O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCCN(CC2CCCO2)CC1
549159,O=C(c1cc2c(cc1)ncn2-c1ccc(Cl)cc1)N1CCCN(CC2CCCO2)CC1,439.18953,[M+H]+,20.0,test,O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCCN(CC2CCCO2)CC1
549160,O=C(c1cc2c(cc1)ncn2-c1ccc(Cl)cc1)N1CCCN(CC2CCCO2)CC1,439.18953,[M+H]+,30.0,test,O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCCN(CC2CCCO2)CC1
549161,O=C(c1cc2c(cc1)ncn2-c1ccc(Cl)cc1)N1CCCN(CC2CCCO2)CC1,439.18953,[M+H]+,60.0,test,O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCCN(CC2CCCO2)CC1
549162,O=C(c1cc2c(cc1)ncn2-c1ccc(Cl)cc1)N1CCCN(CC2CCCO2)CC1,439.18953,[M+H]+,20.0,test,O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCCN(CC2CCCO2)CC1
549163,O=C(c1cc2c(cc1)ncn2-c1ccc(Cl)cc1)N1CCCN(CC2CCCO2)CC1,439.18953,[M+H]+,45.0,test,O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCCN(CC2CCCO2)CC1
549164,O=C(c1cc2c(cc1)ncn2-c1ccc(Cl)cc1)N1CCCN(CC2CCCO2)CC1,439.18953,[M+H]+,60.0,test,O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCCN(CC2CCCO2)CC1
549165,O=C(c1cc2c(cc1)ncn2-c1ccc(Cl)cc1)N1CCCN(CC2CCCO2)CC1,439.18953,[M+H]+,20.0,test,O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCCN(CC2CCCO2)CC1
549166,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,437.19944,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549167,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,437.19944,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549168,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,437.19944,[M-H]-,45.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549169,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,437.19944,[M-H]-,60.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549170,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,437.19944,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549171,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,437.19944,[M-H]-,45.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549172,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,437.19944,[M-H]-,60.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549173,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,437.19944,[M-H]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549174,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,473.17612,[M+Cl]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549175,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,473.17612,[M+Cl]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549176,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,473.17612,[M+Cl]-,60.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549177,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,473.17612,[M+Cl]-,15.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549178,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,483.20492,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549179,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,483.20492,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549180,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,483.20492,[M+FA]-,60.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549181,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,483.20492,[M+FA]-,15.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549182,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,483.20492,[M+FA]-,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549183,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,439.214,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549184,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,439.214,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549185,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,439.214,[M+H]+,45.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549186,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,439.214,[M+H]+,60.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549187,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,439.214,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549188,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,439.214,[M+H]+,45.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549189,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,439.214,[M+H]+,60.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549190,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1,439.214,[M+H]+,20.0,test,O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1
549191,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,448.19903,[M-H]-,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549192,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,448.19903,[M-H]-,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549193,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,448.19903,[M-H]-,60.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549194,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,448.19903,[M-H]-,30.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549195,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,448.19903,[M-H]-,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549196,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,448.19903,[M-H]-,30.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549197,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,448.19903,[M-H]-,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549198,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,448.19903,[M-H]-,60.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549199,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,494.20451,[M+FA]-,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549200,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,494.20451,[M+FA]-,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549201,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,494.20451,[M+FA]-,60.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549202,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,494.20451,[M+FA]-,15.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549203,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,494.20451,[M+FA]-,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549204,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,494.20451,[M+FA]-,60.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549205,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,494.20451,[M+FA]-,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549206,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,494.20451,[M+FA]-,15.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549207,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12,494.20451,[M+FA]-,15.0,test,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12
549208,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12,494.20451,[M+FA]-,20.0,test,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12
549209,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC,494.20451,[M+FA]-,60.0,test,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC
549210,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC,450.21358,[M+H]+,20.0,test,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC
549211,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC,450.21358,[M+H]+,20.0,test,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC
549212,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC,450.21358,[M+H]+,60.0,test,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC
549213,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC,450.21358,[M+H]+,15.0,test,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC
549214,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC,450.21358,[M+H]+,20.0,test,COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC
549215,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12,450.21358,[M+H]+,20.0,test,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12
549216,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12,450.21358,[M+H]+,20.0,test,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12
549217,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12,450.21358,[M+H]+,60.0,test,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12
549218,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12,450.21358,[M+H]+,30.0,test,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12
549219,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12,450.21358,[M+H]+,20.0,test,CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12
549220,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,450.21358,[M+H]+,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549221,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,450.21358,[M+H]+,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549222,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,450.21358,[M+H]+,60.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549223,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,450.21358,[M+H]+,30.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549224,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,450.21358,[M+H]+,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549225,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,450.21358,[M+H]+,30.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549226,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,450.21358,[M+H]+,20.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549227,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1,450.21358,[M+H]+,60.0,test,COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
549228,COc1c(Nc2nccc(-c3cn(C)c4c3ccnc4)n2)ccc(N2CCN(C)CC2)c1,430.23498,[M+H]+,20.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1
549229,COc1c(Nc2nccc(-c3cn(C)c4c3ccnc4)n2)ccc(N2CCN(C)CC2)c1,430.23498,[M+H]+,20.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1
549230,COc1c(Nc2nccc(-c3cn(C)c4c3ccnc4)n2)ccc(N2CCN(C)CC2)c1,430.23498,[M+H]+,60.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1
549231,COc1c(Nc2nccc(-c3cn(C)c4c3ccnc4)n2)ccc(N2CCN(C)CC2)c1,430.23498,[M+H]+,45.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1
549232,COc1ccc(Nc2c3cnn(C)c3nc(N3CCN(Cc4ccccc4)CC3)n2)cc1,430.23498,[M+H]+,20.0,test,COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1
549233,COc1ccc(Nc2c3cnn(C)c3nc(N3CCN(Cc4ccccc4)CC3)n2)cc1,430.23498,[M+H]+,20.0,test,COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1
549234,COc1ccc(Nc2c3cnn(C)c3nc(N3CCN(Cc4ccccc4)CC3)n2)cc1,430.23498,[M+H]+,60.0,test,COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1
549235,COc1ccc(Nc2c3cnn(C)c3nc(N3CCN(Cc4ccccc4)CC3)n2)cc1,430.23498,[M+H]+,30.0,test,COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1
549236,COc1ccc(Nc2c3cnn(C)c3nc(N3CCN(Cc4ccccc4)CC3)n2)cc1,430.23498,[M+H]+,20.0,test,COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1
549237,COc1ccc(Nc2c3cnn(C)c3nc(N3CCN(Cc4ccccc4)CC3)n2)cc1,430.23498,[M+H]+,60.0,test,COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1
549238,COc1ccc(Nc2c3cnn(C)c3nc(N3CCN(Cc4ccccc4)CC3)n2)cc1,430.23498,[M+H]+,30.0,test,COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1
549239,COc1ccc(Nc2c3cnn(C)c3nc(N3CCN(Cc4ccccc4)CC3)n2)cc1,430.23498,[M+H]+,20.0,test,COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1
549240,Cc1c(C)c2c(CCC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)O2)c(C)c1O,440.15372,[M-H]-,20.0,test,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
549241,Cc1c(C)c2c(CCC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)O2)c(C)c1O,440.15372,[M-H]-,20.0,test,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
549242,Cc1c(C)c2c(CCC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)O2)c(C)c1O,440.15372,[M-H]-,60.0,test,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
549243,Cc1c(C)c2c(CCC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)O2)c(C)c1O,440.15372,[M-H]-,20.0,test,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
549244,Cc1c(C)c2c(CCC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)O2)c(C)c1O,440.15372,[M-H]-,45.0,test,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
549245,Cc1c(C)c2c(CCC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)O2)c(C)c1O,440.15372,[M-H]-,60.0,test,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
549246,Cc1c(C)c2c(CCC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)O2)c(C)c1O,440.15372,[M-H]-,20.0,test,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
549247,Cc1c(C)c2c(CCC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)O2)c(C)c1O,440.15372,[M-H]-,45.0,test,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
549248,COc1c(OC)c(OC)cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)c1,505.12691,[M-H]-,20.0,test,COc1cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
549249,COc1c(OC)c(OC)cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)c1,505.12691,[M-H]-,60.0,test,COc1cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
549250,COc1c(OC)c(OC)cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)c1,505.12691,[M-H]-,30.0,test,COc1cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
549251,COc1c(OC)c(OC)cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)c1,505.12691,[M-H]-,20.0,test,COc1cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
549252,COc1c(OC)c(OC)cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)c1,505.12691,[M-H]-,60.0,test,COc1cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
549253,COc1c(OC)c(OC)cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)c1,505.12691,[M-H]-,30.0,test,COc1cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
549254,COc1c(OC)c(OC)cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)c1,505.12691,[M-H]-,20.0,test,COc1cc(-c2cc(OP(=O)(O)O)cc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
549255,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,444.15832,[M-H]-,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549256,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,444.15832,[M-H]-,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549257,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,444.15832,[M-H]-,60.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549258,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,444.15832,[M-H]-,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549259,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,444.15832,[M-H]-,45.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549260,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,480.135,[M+Cl]-,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549261,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,480.135,[M+Cl]-,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549262,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,480.135,[M+Cl]-,60.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549263,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,480.135,[M+Cl]-,15.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549264,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,480.135,[M+Cl]-,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549265,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,446.17288,[M+H]+,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549266,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,446.17288,[M+H]+,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549267,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,446.17288,[M+H]+,60.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549268,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,446.17288,[M+H]+,15.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549269,COc1c(O)c(Cl)cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)c1,446.17288,[M+H]+,20.0,test,COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O
549270,COc1c(OC)cc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,442.21366,[M+H]+,20.0,test,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC
549271,COc1c(OC)cc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,442.21366,[M+H]+,20.0,test,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC
549272,COc1c(OC)cc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,442.21366,[M+H]+,60.0,test,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC
549273,COc1c(OC)cc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,442.21366,[M+H]+,20.0,test,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC
549274,COc1c(OC)cc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,442.21366,[M+H]+,45.0,test,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC
549275,COc1c(OC)cc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,442.21366,[M+H]+,60.0,test,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC
549276,COc1c(OC)cc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,442.21366,[M+H]+,20.0,test,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC
549277,COc1c(OC)cc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,442.21366,[M+H]+,45.0,test,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC
549278,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,423.17479,[M-H]-,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549279,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,423.17479,[M-H]-,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549280,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,423.17479,[M-H]-,60.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549281,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,423.17479,[M-H]-,30.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549282,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,423.17479,[M-H]-,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549283,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,469.18027,[M+FA]-,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549284,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,469.18027,[M+FA]-,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549285,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,469.18027,[M+FA]-,60.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549286,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,469.18027,[M+FA]-,15.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549287,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,469.18027,[M+FA]-,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549288,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,425.18934,[M+H]+,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549289,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,425.18934,[M+H]+,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549290,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,425.18934,[M+H]+,60.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549291,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,425.18934,[M+H]+,30.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549292,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,425.18934,[M+H]+,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549293,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,425.18934,[M+H]+,60.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549294,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,425.18934,[M+H]+,30.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549295,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1,425.18934,[M+H]+,20.0,test,Cc1cc(C)c2c(=O)cc(C(=O)NCC(c3cccs3)N3CCCCCC3)oc2c1
549296,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,423.17479,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549297,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,423.17479,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549298,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,423.17479,[M-H]-,60.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549299,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,423.17479,[M-H]-,30.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549300,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,423.17479,[M-H]-,20.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549301,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,425.18934,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549302,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,425.18934,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549303,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,425.18934,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549304,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,425.18934,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549305,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,425.18934,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549306,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,425.18934,[M+H]+,30.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549307,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,425.18934,[M+H]+,60.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549308,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C,425.18934,[M+H]+,20.0,test,Cc1ccc(S(=O)(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1C
549309,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,419.20887,[M-H]-,20.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549310,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,419.20887,[M-H]-,20.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549311,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,419.20887,[M-H]-,60.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549312,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,419.20887,[M-H]-,20.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549313,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,419.20887,[M-H]-,45.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549314,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,419.20887,[M-H]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549315,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,419.20887,[M-H]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549316,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,419.20887,[M-H]-,60.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549317,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,419.20887,[M-H]-,30.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549318,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,419.20887,[M-H]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549319,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,465.21434,[M+FA]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549320,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,465.21434,[M+FA]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549321,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,465.21434,[M+FA]-,60.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549322,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,465.21434,[M+FA]-,15.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549323,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,465.21434,[M+FA]-,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549324,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,421.22342,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549325,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,421.22342,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549326,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,421.22342,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549327,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,421.22342,[M+H]+,30.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549328,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,421.22342,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549329,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,421.22342,[M+H]+,60.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549330,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,421.22342,[M+H]+,30.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549331,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC,421.22342,[M+H]+,20.0,test,CCOc1ccccc1C(=O)N1CCCC1C(=O)NCc1nc2ccccc2n1CC
549332,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,421.22342,[M+H]+,20.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549333,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,421.22342,[M+H]+,20.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549334,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,421.22342,[M+H]+,60.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549335,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,421.22342,[M+H]+,20.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549336,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,421.22342,[M+H]+,45.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549337,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,421.22342,[M+H]+,60.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549338,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,421.22342,[M+H]+,20.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549339,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21,421.22342,[M+H]+,45.0,test,COCCn1c(NC(=O)C2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
549340,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,419.20887,[M-H]-,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549341,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,419.20887,[M-H]-,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549342,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,419.20887,[M-H]-,60.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549343,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,419.20887,[M-H]-,45.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549344,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,402.20503,[M-H2O]+,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549345,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,402.20503,[M-H2O]+,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549346,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,402.20503,[M-H2O]+,60.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549347,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,402.20503,[M-H2O]+,15.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549348,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,402.20503,[M-H2O]+,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549349,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,421.22342,[M+H]+,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549350,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,421.22342,[M+H]+,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549351,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,421.22342,[M+H]+,60.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549352,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,421.22342,[M+H]+,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549353,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,421.22342,[M+H]+,45.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549354,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,421.22342,[M+H]+,60.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549355,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1,421.22342,[M+H]+,20.0,test,CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1
549356,COc1c(OC)cc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CC3)nc2c1,421.22342,[M+H]+,20.0,test,COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
549357,COc1c(OC)cc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CC3)nc2c1,421.22342,[M+H]+,20.0,test,COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
549358,COc1c(OC)cc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CC3)nc2c1,421.22342,[M+H]+,60.0,test,COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
549359,COc1c(OC)cc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CC3)nc2c1,421.22342,[M+H]+,20.0,test,COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
549360,COc1c(OC)cc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CC3)nc2c1,421.22342,[M+H]+,60.0,test,COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
549361,COc1c(OC)cc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CC3)nc2c1,421.22342,[M+H]+,20.0,test,COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
549362,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1,421.22342,[M+H]+,30.0,test,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1
549363,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1,421.22342,[M+H]+,30.0,test,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1
549364,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1,421.22342,[M+H]+,60.0,test,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1
549365,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1,421.22342,[M+H]+,20.0,test,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1
549366,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1,421.22342,[M+H]+,30.0,test,CCOc1ccc(NC(=O)Cn2c(=O)nc(N3CCCC(C)C3)c3ccccc32)cc1
549367,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,417.23974,[M+H]+,20.0,test,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12
549368,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,417.23974,[M+H]+,45.0,test,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12
549369,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1,417.23974,[M+H]+,20.0,test,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1
549370,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1,417.23974,[M+H]+,20.0,test,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1
549371,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1,417.23974,[M+H]+,60.0,test,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1
549372,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1,417.23974,[M+H]+,20.0,test,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1
549373,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1,417.23974,[M+H]+,45.0,test,CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1
549374,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,417.23974,[M+H]+,20.0,test,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12
549375,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,417.23974,[M+H]+,20.0,test,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12
549376,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,417.23974,[M+H]+,60.0,test,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12
549377,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,417.23974,[M+H]+,20.0,test,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12
549378,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,417.23974,[M+H]+,60.0,test,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12
549379,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1,417.23974,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1
549380,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1,417.23974,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1
549381,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1,417.23974,[M+H]+,45.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1
549382,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1,417.23974,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1
549383,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1,417.23974,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1
549384,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1,417.23974,[M+H]+,45.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1
549385,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1,417.23974,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1
549386,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1,417.23974,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)n2)n1
549387,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,523.14571,[M-H]-,20.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549388,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,523.14571,[M-H]-,20.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549389,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,523.14571,[M-H]-,60.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549390,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,523.14571,[M-H]-,30.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549391,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,523.14571,[M-H]-,20.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549392,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,523.14571,[M-H]-,60.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549393,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,523.14571,[M-H]-,30.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549394,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,523.14571,[M-H]-,20.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549395,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,523.14571,[M-H]-,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549396,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,523.14571,[M-H]-,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549397,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,523.14571,[M-H]-,60.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549398,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,523.14571,[M-H]-,45.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549399,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,523.14571,[M-H]-,20.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549400,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,523.14571,[M-H]-,20.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549401,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,523.14571,[M-H]-,60.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549402,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,523.14571,[M-H]-,30.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549403,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,523.14571,[M-H]-,20.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549404,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,523.14571,[M-H]-,60.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549405,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,523.14571,[M-H]-,30.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549406,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,523.14571,[M-H]-,20.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549407,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,542.18681,[M+NH4]+,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549408,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,542.18681,[M+NH4]+,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549409,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,542.18681,[M+NH4]+,60.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549410,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,542.18681,[M+NH4]+,15.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549411,O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,542.18681,[M+NH4]+,20.0,test,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
549412,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,542.18681,[M+NH4]+,20.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549413,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,542.18681,[M+NH4]+,20.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549414,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,542.18681,[M+NH4]+,60.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549415,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,542.18681,[M+NH4]+,15.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549416,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,542.18681,[M+NH4]+,20.0,test,O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1
549417,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,542.18681,[M+NH4]+,20.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549418,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,542.18681,[M+NH4]+,20.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549419,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,542.18681,[M+NH4]+,60.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549420,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,542.18681,[M+NH4]+,15.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549421,COc1c(O)ccc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)c1,542.18681,[M+NH4]+,20.0,test,COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C23)ccc1O
549422,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,427.17623,[M-H]-,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549423,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,427.17623,[M-H]-,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549424,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,427.17623,[M-H]-,60.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549425,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,427.17623,[M-H]-,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549426,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,427.17623,[M-H]-,45.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549427,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,427.17623,[M-H]-,60.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549428,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,427.17623,[M-H]-,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549429,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,427.17623,[M-H]-,45.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549430,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,411.18022,[M+H-H2O]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549431,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,411.18022,[M+H-H2O]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549432,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,411.18022,[M+H-H2O]+,60.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549433,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,411.18022,[M+H-H2O]+,30.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549434,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,411.18022,[M+H-H2O]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549435,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,411.18022,[M+H-H2O]+,60.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549436,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,411.18022,[M+H-H2O]+,30.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549437,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,411.18022,[M+H-H2O]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549438,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,429.19078,[M+H]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549439,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,429.19078,[M+H]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549440,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,429.19078,[M+H]+,60.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549441,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,429.19078,[M+H]+,15.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549442,COc1c(CCC(C)(C)O)c2c(cc1O)oc1c(c(O)c(CC=C(C)C)c(O)c1)c2=O,429.19078,[M+H]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
549443,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,446.21733,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549444,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,446.21733,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549445,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,446.21733,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549446,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,446.21733,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549447,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,446.21733,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549448,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,446.21733,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549449,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,446.21733,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549450,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,446.21733,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549451,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,451.17272,[M+Na]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549452,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,451.17272,[M+Na]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549453,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,451.17272,[M+Na]+,60.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549454,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,451.17272,[M+Na]+,30.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549455,C/C=C(/C)C(=O)OC1c2c3oc(=O)ccc3ccc2OC1C(C)(C)OC(=O)CC(C)C,451.17272,[M+Na]+,20.0,test,C/C=C(/C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)CC(C)C
549456,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,446.21733,[M+NH4]+,20.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549457,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,446.21733,[M+NH4]+,20.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549458,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,446.21733,[M+NH4]+,30.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549459,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,446.21733,[M+NH4]+,60.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549460,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,446.21733,[M+NH4]+,15.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549461,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,446.21733,[M+NH4]+,20.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549462,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,446.21733,[M+NH4]+,60.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549463,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,446.21733,[M+NH4]+,20.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549464,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,451.17272,[M+Na]+,20.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549465,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,451.17272,[M+Na]+,20.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549466,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,451.17272,[M+Na]+,60.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549467,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,451.17272,[M+Na]+,30.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549468,CC(C)=CC(=O)OC1c2c3oc(=O)ccc3ccc2OC(C)(C)C1OC(=O)CC(C)C,451.17272,[M+Na]+,20.0,test,CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
549469,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,427.17623,[M-H]-,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549470,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,427.17623,[M-H]-,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549471,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,427.17623,[M-H]-,45.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549472,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,427.17623,[M-H]-,60.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549473,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,427.17623,[M-H]-,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549474,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,427.17623,[M-H]-,60.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549475,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,427.17623,[M-H]-,45.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549476,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,427.17623,[M-H]-,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549477,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,446.21733,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549478,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,446.21733,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549479,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,446.21733,[M+NH4]+,60.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549480,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,446.21733,[M+NH4]+,15.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549481,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,446.21733,[M+NH4]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549482,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,451.17272,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549483,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,451.17272,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549484,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,451.17272,[M+Na]+,45.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549485,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,451.17272,[M+Na]+,60.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549486,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,451.17272,[M+Na]+,20.0,test,C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
549487,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,411.18022,[M+H-H2O]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549488,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,411.18022,[M+H-H2O]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549489,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,411.18022,[M+H-H2O]+,60.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549490,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,411.18022,[M+H-H2O]+,30.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549491,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,411.18022,[M+H-H2O]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549492,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,429.19078,[M+H]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549493,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,429.19078,[M+H]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549494,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,429.19078,[M+H]+,60.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549495,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,429.19078,[M+H]+,15.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549496,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,429.19078,[M+H]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549497,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,429.19078,[M+H]+,60.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549498,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,429.19078,[M+H]+,20.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549499,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C,429.19078,[M+H]+,15.0,test,COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
549500,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl,494.15065,[M+FA]-,20.0,test,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
549501,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl,494.15065,[M+FA]-,15.0,test,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
549502,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl,450.15972,[M+H]+,30.0,test,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
549503,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl,450.15972,[M+H]+,30.0,test,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
549504,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl,450.15972,[M+H]+,20.0,test,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
549505,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl,450.15972,[M+H]+,60.0,test,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
549506,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl,450.15972,[M+H]+,30.0,test,C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
549507,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1,392.23325,[M+H]+,20.0,test,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1
549508,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1,392.23325,[M+H]+,20.0,test,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1
549509,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1,392.23325,[M+H]+,60.0,test,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1
549510,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1,392.23325,[M+H]+,30.0,test,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1
549511,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1,392.23325,[M+H]+,20.0,test,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1
549512,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1,392.23325,[M+H]+,60.0,test,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1
549513,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1,392.23325,[M+H]+,30.0,test,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1
549514,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1,392.23325,[M+H]+,20.0,test,COc1ccc(C(CNC(=O)C2CCCCN2C)c2c[nH]c3ccccc23)cc1
549515,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,436.22418,[M+FA]-,20.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549516,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,436.22418,[M+FA]-,20.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549517,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,436.22418,[M+FA]-,60.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549518,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,436.22418,[M+FA]-,15.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549519,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,436.22418,[M+FA]-,20.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549520,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,392.23325,[M+H]+,20.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549521,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,392.23325,[M+H]+,20.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549522,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,392.23325,[M+H]+,60.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549523,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,392.23325,[M+H]+,30.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549524,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,392.23325,[M+H]+,20.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549525,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,392.23325,[M+H]+,60.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549526,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,392.23325,[M+H]+,30.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549527,O=C(/C=C/c1cnccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,392.23325,[M+H]+,20.0,test,O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
549528,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1,392.23325,[M+H]+,20.0,test,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1
549529,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1,392.23325,[M+H]+,20.0,test,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1
549530,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1,392.23325,[M+H]+,60.0,test,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1
549531,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1,392.23325,[M+H]+,20.0,test,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1
549532,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1,392.23325,[M+H]+,45.0,test,CN(C)CCCCCCNC(=O)c1cccc(-c2cc(O)c3ncccc3c2)c1
549533,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1,392.23325,[M+H]+,20.0,test,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
549534,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1,392.23325,[M+H]+,20.0,test,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
549535,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1,392.23325,[M+H]+,60.0,test,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
549536,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1,392.23325,[M+H]+,30.0,test,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
549537,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1,392.23325,[M+H]+,20.0,test,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
549538,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1,392.23325,[M+H]+,60.0,test,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
549539,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1,392.23325,[M+H]+,30.0,test,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
549540,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1,392.23325,[M+H]+,20.0,test,Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
549541,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1,392.23325,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
549542,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1,392.23325,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
549543,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1,392.23325,[M+H]+,60.0,test,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
549544,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1,392.23325,[M+H]+,30.0,test,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
549545,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1,392.23325,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
549546,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1,392.23325,[M+H]+,60.0,test,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
549547,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1,392.23325,[M+H]+,30.0,test,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
549548,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1,392.23325,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
549549,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,446.231,[M-H]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549550,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,446.231,[M-H]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549551,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,446.231,[M-H]-,60.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549552,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,446.231,[M-H]-,30.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549553,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,446.231,[M-H]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549554,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,482.20767,[M+Cl]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549555,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,482.20767,[M+Cl]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549556,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,482.20767,[M+Cl]-,60.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549557,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,482.20767,[M+Cl]-,30.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549558,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,482.20767,[M+Cl]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549559,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,492.23648,[M+FA]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549560,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,492.23648,[M+FA]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549561,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,492.23648,[M+FA]-,60.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549562,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,492.23648,[M+FA]-,15.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549563,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,492.23648,[M+FA]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549564,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,492.23648,[M+FA]-,60.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549565,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,492.23648,[M+FA]-,15.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549566,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,492.23648,[M+FA]-,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549567,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,447.23772,[M]+,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549568,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,447.23772,[M]+,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549569,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,447.23772,[M]+,60.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549570,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,447.23772,[M]+,30.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549571,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,447.23772,[M]+,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549572,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,448.24555,[M+H]+,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549573,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,448.24555,[M+H]+,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549574,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,448.24555,[M+H]+,60.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549575,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,448.24555,[M+H]+,30.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549576,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,448.24555,[M+H]+,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549577,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,448.24555,[M+H]+,60.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549578,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,448.24555,[M+H]+,30.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549579,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(N2CCCC2)ccc1,448.24555,[M+H]+,20.0,test,CCCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
549580,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549581,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549582,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,60.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549583,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549584,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,45.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549585,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,60.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549586,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549587,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,45.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549588,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549589,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549590,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,60.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549591,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549592,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,45.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549593,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,60.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549594,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549595,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,45.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549596,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549597,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549598,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,60.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549599,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549600,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,45.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549601,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,60.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549602,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,20.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549603,CC(=O)c1c(C)c2cnc(Nc3ncc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O,448.24555,[M+H]+,45.0,test,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
549604,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,446.231,[M-H]-,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549605,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,446.231,[M-H]-,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549606,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,446.231,[M-H]-,30.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549607,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,446.231,[M-H]-,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549608,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,492.23648,[M+FA]-,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549609,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,492.23648,[M+FA]-,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549610,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,492.23648,[M+FA]-,60.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549611,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,492.23648,[M+FA]-,15.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549612,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,492.23648,[M+FA]-,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549613,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,492.23648,[M+FA]-,60.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549614,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,492.23648,[M+FA]-,15.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549615,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,492.23648,[M+FA]-,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549616,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,448.24555,[M+H]+,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549617,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,448.24555,[M+H]+,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549618,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,448.24555,[M+H]+,60.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549619,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,448.24555,[M+H]+,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549620,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,448.24555,[M+H]+,45.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549621,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,448.24555,[M+H]+,60.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549622,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,448.24555,[M+H]+,20.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549623,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1,448.24555,[M+H]+,45.0,test,O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1CC(=O)N(c2ccccc2)C1
549624,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,458.18521,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549625,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,458.18521,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549626,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,458.18521,[M-H]-,45.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549627,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,458.18521,[M-H]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549628,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,458.18521,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549629,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,458.18521,[M-H]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549630,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,458.18521,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549631,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,504.19069,[M+FA]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549632,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,504.19069,[M+FA]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549633,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,504.19069,[M+FA]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549634,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,504.19069,[M+FA]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549635,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,460.19976,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549636,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,460.19976,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549637,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,460.19976,[M+H]+,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549638,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,460.19976,[M+H]+,15.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549639,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,460.19976,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549640,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,460.19976,[M+H]+,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549641,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,460.19976,[M+H]+,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549642,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C,460.19976,[M+H]+,15.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C
549643,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1,424.22625,[M+H]+,20.0,test,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
549644,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1,424.22625,[M+H]+,20.0,test,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
549645,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1,424.22625,[M+H]+,45.0,test,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
549646,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1,424.22625,[M+H]+,60.0,test,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
549647,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1,424.22625,[M+H]+,20.0,test,CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
549648,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(NS(C)(=O)=O)ccc(Cl)c3)cc2nc1N1CC[C@H](N)C1,532.18921,[M+H]+,20.0,test,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
549649,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(NS(C)(=O)=O)ccc(Cl)c3)cc2nc1N1CC[C@H](N)C1,532.18921,[M+H]+,20.0,test,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
549650,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(NS(C)(=O)=O)ccc(Cl)c3)cc2nc1N1CC[C@H](N)C1,532.18921,[M+H]+,60.0,test,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
549651,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(NS(C)(=O)=O)ccc(Cl)c3)cc2nc1N1CC[C@H](N)C1,532.18921,[M+H]+,20.0,test,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
549652,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(NS(C)(=O)=O)ccc(Cl)c3)cc2nc1N1CC[C@H](N)C1,532.18921,[M+H]+,45.0,test,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
549653,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(NS(C)(=O)=O)ccc(Cl)c3)cc2nc1N1CC[C@H](N)C1,532.18921,[M+H]+,60.0,test,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
549654,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(NS(C)(=O)=O)ccc(Cl)c3)cc2nc1N1CC[C@H](N)C1,532.18921,[M+H]+,20.0,test,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
549655,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(NS(C)(=O)=O)ccc(Cl)c3)cc2nc1N1CC[C@H](N)C1,532.18921,[M+H]+,45.0,test,Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
549656,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,20.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549657,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,20.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549658,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,60.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549659,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,20.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549660,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,60.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549661,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,60.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549662,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,60.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549663,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,20.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549664,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,60.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549665,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,20.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549666,CN1CCN(c2cnc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)cc2)CC1,447.26153,[M+H]+,60.0,test,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
549667,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1,447.26153,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1
549668,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1,447.26153,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1
549669,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1,447.26153,[M+H]+,45.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1
549670,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1,447.26153,[M+H]+,60.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1
549671,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1,447.26153,[M+H]+,20.0,test,Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1
549672,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1,479.25136,[M+H]+,20.0,test,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1
549673,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1,479.25136,[M+H]+,20.0,test,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1
549674,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1,479.25136,[M+H]+,45.0,test,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1
549675,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1,479.25136,[M+H]+,60.0,test,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1
549676,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1,479.25136,[M+H]+,20.0,test,O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)N1CCN(c2ccccn2)CC1
549677,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549678,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,60.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549679,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,15.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549680,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549681,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549682,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549683,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,60.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549684,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,15.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549685,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549686,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549687,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549688,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,60.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549689,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,15.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549690,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549691,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,60.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549692,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,15.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549693,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,463.21375,[M+FA]-,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549694,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549695,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549696,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,60.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549697,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,15.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549698,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419.22283,[M+H]+,20.0,test,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
549699,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,376.23944,[M-H]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549700,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,376.23944,[M-H]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549701,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,376.23944,[M-H]-,60.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549702,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,376.23944,[M-H]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549703,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,376.23944,[M-H]-,45.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549704,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,376.23944,[M-H]-,60.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549705,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,376.23944,[M-H]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549706,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,412.21611,[M+Cl]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549707,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,412.21611,[M+Cl]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549708,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,412.21611,[M+Cl]-,60.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549709,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,412.21611,[M+Cl]-,15.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549710,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,412.21611,[M+Cl]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549711,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,422.24492,[M+FA]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549712,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,422.24492,[M+FA]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549713,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,422.24492,[M+FA]-,60.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549714,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,422.24492,[M+FA]-,15.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549715,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,422.24492,[M+FA]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549716,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,422.24492,[M+FA]-,60.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549717,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,422.24492,[M+FA]-,15.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549718,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,422.24492,[M+FA]-,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549719,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,376.23944,[M-H]-,20.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549720,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,376.23944,[M-H]-,20.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549721,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,376.23944,[M-H]-,60.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549722,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,376.23944,[M-H]-,20.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549723,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,376.23944,[M-H]-,45.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549724,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,378.25399,[M+H]+,20.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549725,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,378.25399,[M+H]+,20.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549726,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,378.25399,[M+H]+,60.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549727,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,378.25399,[M+H]+,20.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549728,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1,378.25399,[M+H]+,60.0,test,CC(C)(C)CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@]2(C)c2ccccc2)NN1
549729,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,378.25399,[M+H]+,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549730,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,378.25399,[M+H]+,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549731,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,378.25399,[M+H]+,60.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549732,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,378.25399,[M+H]+,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549733,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,378.25399,[M+H]+,60.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549734,CC(C)(C)Cc1c2c(n[nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@]2(C)c1ccccc1,378.25399,[M+H]+,20.0,test,CC(C)(C)Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2
549735,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC,426.23873,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC
549736,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC,426.23873,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC
549737,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC,426.23873,[M+H]+,60.0,test,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC
549738,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC,426.23873,[M+H]+,30.0,test,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC
549739,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC,426.23873,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC
549740,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC,426.23873,[M+H]+,30.0,test,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC
549741,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC,426.23873,[M+H]+,20.0,test,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC
549742,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC,426.23873,[M+H]+,60.0,test,CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)CC1c1cccc(OC)c1OC
549743,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,489.16163,[M+Cl]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549744,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,489.16163,[M+Cl]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549745,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,489.16163,[M+Cl]-,60.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549746,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,489.16163,[M+Cl]-,30.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549747,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,489.16163,[M+Cl]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549748,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549749,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549750,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,60.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549751,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,15.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549752,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549753,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,489.16163,[M+Cl]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549754,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549755,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549756,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,60.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549757,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,15.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549758,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,20.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549759,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,60.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
549760,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,499.19043,[M+FA]-,15.0,test,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
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549807,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,435.19437,[M+Cl]-,20.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549808,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,445.22318,[M+FA]-,20.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549809,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,445.22318,[M+FA]-,60.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549810,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,445.22318,[M+FA]-,15.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549811,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,445.22318,[M+FA]-,20.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549812,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,445.22318,[M+FA]-,60.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549813,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,445.22318,[M+FA]-,15.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549814,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,445.22318,[M+FA]-,20.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549815,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,383.22169,[M+H-H2O]+,15.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549816,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,383.22169,[M+H-H2O]+,15.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549817,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,383.22169,[M+H-H2O]+,20.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549818,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,383.22169,[M+H-H2O]+,15.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549819,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,383.22169,[M+H-H2O]+,15.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549820,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,401.23225,[M+H]+,20.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549821,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,401.23225,[M+H]+,20.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549822,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,401.23225,[M+H]+,60.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549823,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,401.23225,[M+H]+,15.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549824,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,401.23225,[M+H]+,20.0,test,CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
549825,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549826,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,60.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549827,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,15.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549828,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549829,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549830,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549831,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,60.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549832,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,30.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549833,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549834,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549835,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,15.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549836,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549837,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,15.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549838,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549839,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,445.22318,[M+FA]-,60.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549840,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,383.22169,[M+H-H2O]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549841,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,383.22169,[M+H-H2O]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549842,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,383.22169,[M+H-H2O]+,60.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549843,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,383.22169,[M+H-H2O]+,30.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549844,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,383.22169,[M+H-H2O]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549845,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549846,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549847,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,60.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549848,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,30.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549849,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549850,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,30.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549851,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,60.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549852,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1,401.23225,[M+H]+,20.0,test,CC1(C)C(O)CC[C@@]2(C)C1CC[C@](C)(O)C2COc1ccc2ccc(=O)oc2c1
549853,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,445.22318,[M+FA]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549854,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,445.22318,[M+FA]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549855,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,445.22318,[M+FA]-,60.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549856,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,445.22318,[M+FA]-,15.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549857,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,445.22318,[M+FA]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549858,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,445.22318,[M+FA]-,15.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549859,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,445.22318,[M+FA]-,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549860,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,445.22318,[M+FA]-,60.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549861,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,401.23225,[M+H]+,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549862,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,401.23225,[M+H]+,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549863,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,401.23225,[M+H]+,45.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549864,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,401.23225,[M+H]+,60.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549865,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,401.23225,[M+H]+,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549866,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,401.23225,[M+H]+,60.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549867,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,401.23225,[M+H]+,45.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549868,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132,401.23225,[M+H]+,20.0,test,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132
549869,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1,411.27545,[M+H]+,20.0,test,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1
549870,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1,411.27545,[M+H]+,20.0,test,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1
549871,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1,411.27545,[M+H]+,45.0,test,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1
549872,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1,411.27545,[M+H]+,60.0,test,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1
549873,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1,411.27545,[M+H]+,20.0,test,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1
549874,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1,411.27545,[M+H]+,60.0,test,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1
549875,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1,411.27545,[M+H]+,45.0,test,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1
549876,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1,411.27545,[M+H]+,20.0,test,CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCCC2C)C1
549877,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1,423.28669,[M+H]+,30.0,test,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1
549878,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1,423.28669,[M+H]+,30.0,test,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1
549879,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1,423.28669,[M+H]+,20.0,test,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1
549880,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1,423.28669,[M+H]+,60.0,test,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1
549881,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1,423.28669,[M+H]+,30.0,test,CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1
549882,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,463.23691,[M+FA]-,20.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549883,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,463.23691,[M+FA]-,20.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549884,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,463.23691,[M+FA]-,60.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549885,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,463.23691,[M+FA]-,15.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549886,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,463.23691,[M+FA]-,20.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549887,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,419.24598,[M+H]+,20.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549888,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,419.24598,[M+H]+,20.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549889,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,419.24598,[M+H]+,60.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549890,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,419.24598,[M+H]+,20.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549891,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc(CCCNCCCO)c1,419.24598,[M+H]+,60.0,test,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
549892,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,384.25333,[M+H-H2O]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549893,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,384.25333,[M+H-H2O]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549894,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,384.25333,[M+H-H2O]+,60.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549895,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,384.25333,[M+H-H2O]+,30.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549896,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,384.25333,[M+H-H2O]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549897,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,402.26389,[M+H]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549898,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,402.26389,[M+H]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549899,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,402.26389,[M+H]+,60.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549900,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,402.26389,[M+H]+,30.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549901,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,402.26389,[M+H]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549902,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,402.26389,[M+H]+,60.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549903,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,402.26389,[M+H]+,30.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549904,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1,402.26389,[M+H]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)CC1
549905,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,384.25333,[M+H-H2O]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549906,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,384.25333,[M+H-H2O]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549907,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,384.25333,[M+H-H2O]+,60.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549908,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,384.25333,[M+H-H2O]+,30.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549909,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,384.25333,[M+H-H2O]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549910,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,402.26389,[M+H]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549911,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,402.26389,[M+H]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549912,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,402.26389,[M+H]+,60.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549913,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,402.26389,[M+H]+,30.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549914,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1,402.26389,[M+H]+,20.0,test,CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C=CC(O)C(O)CC1
549915,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,402.26389,[M+H]+,20.0,test,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549916,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,402.26389,[M+H]+,20.0,test,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549917,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,402.26389,[M+H]+,60.0,test,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549918,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,402.26389,[M+H]+,30.0,test,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549919,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,402.26389,[M+H]+,20.0,test,CC1=C[C@@H]2[C@H]3[C@@H]4O[C@@](C)(CC[C@H]4O)[C@H]3CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549920,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C,418.2588,[M+H]+,20.0,test,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C
549921,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C,418.2588,[M+H]+,20.0,test,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C
549922,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C,418.2588,[M+H]+,60.0,test,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C
549923,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C,418.2588,[M+H]+,30.0,test,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C
549924,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C,418.2588,[M+H]+,20.0,test,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C
549925,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C,418.2588,[M+H]+,60.0,test,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C
549926,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C,418.2588,[M+H]+,30.0,test,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C
549927,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C,418.2588,[M+H]+,20.0,test,CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C
549928,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,418.2588,[M+H]+,20.0,test,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549929,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,418.2588,[M+H]+,20.0,test,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549930,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,418.2588,[M+H]+,60.0,test,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549931,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,418.2588,[M+H]+,30.0,test,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549932,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,418.2588,[M+H]+,20.0,test,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549933,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,418.2588,[M+H]+,60.0,test,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549934,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,418.2588,[M+H]+,30.0,test,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549935,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,418.2588,[M+H]+,20.0,test,CC1=CC2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
549936,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,491.26975,[M+FA]-,20.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549937,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,491.26975,[M+FA]-,20.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549938,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,491.26975,[M+FA]-,60.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549939,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,491.26975,[M+FA]-,15.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549940,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,491.26975,[M+FA]-,20.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549941,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,447.27882,[M+H]+,20.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549942,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,447.27882,[M+H]+,20.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549943,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,447.27882,[M+H]+,45.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549944,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,447.27882,[M+H]+,60.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549945,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,447.27882,[M+H]+,20.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549946,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,447.27882,[M+H]+,60.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549947,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1,447.27882,[M+H]+,20.0,test,CCN1CCN(CCNC(=O)C2CCc3sc(C(=O)N4CCC(C)CC4)cc3C2)CC1
549948,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1,411.32307,[M+H]+,20.0,test,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1
549949,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1,411.32307,[M+H]+,20.0,test,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1
549950,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1,411.32307,[M+H]+,60.0,test,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1
549951,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1,411.32307,[M+H]+,20.0,test,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1
549952,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1,411.32307,[M+H]+,45.0,test,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1
549953,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1,411.32307,[M+H]+,60.0,test,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1
549954,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1,411.32307,[M+H]+,20.0,test,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1
549955,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1,411.32307,[M+H]+,45.0,test,c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1
549956,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,389.26973,[M-H]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549957,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,389.26973,[M-H]-,60.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549958,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,389.26973,[M-H]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549959,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,389.26973,[M-H]-,60.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549960,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,435.27521,[M+FA]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549961,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,435.27521,[M+FA]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549962,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,435.27521,[M+FA]-,60.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549963,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,435.27521,[M+FA]-,15.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549964,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,435.27521,[M+FA]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549965,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,435.27521,[M+FA]-,60.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549966,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,435.27521,[M+FA]-,15.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549967,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,435.27521,[M+FA]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
549968,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,389.26973,[M-H]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549969,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,389.26973,[M-H]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549970,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,389.26973,[M-H]-,15.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549971,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,389.26973,[M-H]-,60.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549972,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,389.26973,[M-H]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549973,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,389.26973,[M-H]-,60.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549974,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,389.26973,[M-H]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549975,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,435.27521,[M+FA]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549976,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,435.27521,[M+FA]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549977,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,435.27521,[M+FA]-,60.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549978,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,435.27521,[M+FA]-,15.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549979,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,435.27521,[M+FA]-,20.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549980,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,435.27521,[M+FA]-,60.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
549981,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,435.27521,[M+FA]-,15.0,test,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
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550037,COC[C@@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)[C@H]13)[C@]1(O)[C@H]3[C@@H](O)[C@](O)(C[C@H]34)[C@@H](OC)[C@@H]1O)N(C)C2,470.27484,[M+H]+,20.0,test,COC[C@@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)[C@H]13)[C@]1(O)[C@H]3[C@@H](O)[C@](O)(C[C@H]34)[C@@H](OC)[C@@H]1O)N(C)C2
550038,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,565.25018,[M+FA]-,20.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550039,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,565.25018,[M+FA]-,20.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550040,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,565.25018,[M+FA]-,60.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550041,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,565.25018,[M+FA]-,20.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550042,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,538.2858,[M+NH4]+,20.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550043,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,538.2858,[M+NH4]+,20.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550044,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,538.2858,[M+NH4]+,60.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550045,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,538.2858,[M+NH4]+,15.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550046,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,538.2858,[M+NH4]+,20.0,test,C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
550047,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,516.10647,[M-H]-,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550048,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,516.10647,[M-H]-,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550049,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,516.10647,[M-H]-,60.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550050,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,516.10647,[M-H]-,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550051,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,516.10647,[M-H]-,60.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550052,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,562.11195,[M+FA]-,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550053,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,562.11195,[M+FA]-,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550054,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,562.11195,[M+FA]-,60.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550055,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,562.11195,[M+FA]-,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550056,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,562.11195,[M+FA]-,60.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550057,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,518.12102,[M+H]+,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550058,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,518.12102,[M+H]+,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550059,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,518.12102,[M+H]+,60.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550060,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,518.12102,[M+H]+,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550061,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,518.12102,[M+H]+,60.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550062,Fc1ccccc1-c1nc2cn(Cc3nnc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4)cc3)ccc-2n1,518.12102,[M+H]+,20.0,test,Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
550063,CC(F)(F)c1c(-c2c(Oc3ccc(/C=C/C(=O)O)cc3)c3c(cc(O)cc3)s2)ccc(F)c1,469.07269,[M-H]-,20.0,test,CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1
550064,CC(F)(F)c1c(-c2c(Oc3ccc(/C=C/C(=O)O)cc3)c3c(cc(O)cc3)s2)ccc(F)c1,469.07269,[M-H]-,20.0,test,CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1
550065,CC(F)(F)c1c(-c2c(Oc3ccc(/C=C/C(=O)O)cc3)c3c(cc(O)cc3)s2)ccc(F)c1,469.07269,[M-H]-,60.0,test,CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1
550066,CC(F)(F)c1c(-c2c(Oc3ccc(/C=C/C(=O)O)cc3)c3c(cc(O)cc3)s2)ccc(F)c1,469.07269,[M-H]-,20.0,test,CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1
550067,CC(F)(F)c1c(-c2c(Oc3ccc(/C=C/C(=O)O)cc3)c3c(cc(O)cc3)s2)ccc(F)c1,469.07269,[M-H]-,45.0,test,CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1
550068,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,413.1296,[M+H]+,20.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550069,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,413.1296,[M+H]+,20.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550070,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,413.1296,[M+H]+,30.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550071,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,413.1296,[M+H]+,60.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550072,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,413.1296,[M+H]+,15.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550073,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,413.1296,[M+H]+,20.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550074,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,413.1296,[M+H]+,60.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550075,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,413.1296,[M+H]+,20.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550076,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12,435.11154,[M+Na]+,45.0,test,O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12
550077,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,424.13028,[M-H]-,20.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550078,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,424.13028,[M-H]-,20.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550079,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,424.13028,[M-H]-,60.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550080,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,424.13028,[M-H]-,20.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550081,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,424.13028,[M-H]-,45.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550082,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,424.13028,[M-H]-,60.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550083,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,424.13028,[M-H]-,20.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550084,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,424.13028,[M-H]-,45.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550085,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,426.14483,[M+H]+,20.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550086,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,426.14483,[M+H]+,20.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550087,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,426.14483,[M+H]+,60.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550088,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,426.14483,[M+H]+,15.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550089,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,426.14483,[M+H]+,20.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550090,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,426.14483,[M+H]+,45.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550091,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,426.14483,[M+H]+,60.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550092,Cc1ccc(-c2n[nH]c3c2C(c2cc(O)ccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1,426.14483,[M+H]+,20.0,test,Cc1ccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1
550093,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,494.1012,[M+FA]-,20.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550094,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,494.1012,[M+FA]-,20.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550095,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,494.1012,[M+FA]-,60.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550096,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,494.1012,[M+FA]-,15.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550097,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,494.1012,[M+FA]-,20.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550098,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,432.09972,[M+H-H2O]+,15.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550099,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,432.09972,[M+H-H2O]+,15.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550100,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,432.09972,[M+H-H2O]+,20.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550101,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,432.09972,[M+H-H2O]+,15.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550102,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,450.11028,[M+H]+,20.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550103,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,450.11028,[M+H]+,20.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550104,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,450.11028,[M+H]+,60.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550105,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,450.11028,[M+H]+,15.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550106,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,450.11028,[M+H]+,20.0,test,CC(C(=O)c1ccc(Cl)cc1)C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21
550107,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21,409.1659,[M+H]+,20.0,test,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
550108,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21,409.1659,[M+H]+,20.0,test,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
550109,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21,409.1659,[M+H]+,60.0,test,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
550110,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21,409.1659,[M+H]+,30.0,test,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
550111,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21,409.1659,[M+H]+,20.0,test,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
550112,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,409.1659,[M+H]+,20.0,test,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
550113,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,409.1659,[M+H]+,20.0,test,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
550114,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,409.1659,[M+H]+,60.0,test,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
550115,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,409.1659,[M+H]+,20.0,test,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
550116,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,409.1659,[M+H]+,75.0,test,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
550117,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,409.1659,[M+H]+,60.0,test,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
550118,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,409.1659,[M+H]+,20.0,test,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
550119,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,409.1659,[M+H]+,75.0,test,N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
550120,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,407.15135,[M-H]-,20.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550121,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,407.15135,[M-H]-,20.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550122,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,407.15135,[M-H]-,60.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550123,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,407.15135,[M-H]-,20.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550124,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,407.15135,[M-H]-,45.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550125,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,407.15135,[M-H]-,60.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550126,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,407.15135,[M-H]-,20.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550127,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,407.15135,[M-H]-,45.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550128,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,409.1659,[M+H]+,20.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550129,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,409.1659,[M+H]+,20.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550130,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,409.1659,[M+H]+,60.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550131,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,409.1659,[M+H]+,15.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550132,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,409.1659,[M+H]+,20.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550133,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,409.1659,[M+H]+,60.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550134,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,409.1659,[M+H]+,15.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550135,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21,409.1659,[M+H]+,20.0,test,Cn1cc(C2C(=O)N=C(c3ccccc3)NN2C(=O)c2ccccc2)c2ccccc21
550136,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1,409.1659,[M+H]+,20.0,test,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1
550137,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1,409.1659,[M+H]+,20.0,test,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1
550138,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1,409.1659,[M+H]+,60.0,test,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1
550139,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1,409.1659,[M+H]+,20.0,test,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1
550140,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1,409.1659,[M+H]+,60.0,test,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1
550141,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1,409.1659,[M+H]+,20.0,test,CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1
550142,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,415.12188,[M-H]-,20.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550143,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,415.12188,[M-H]-,20.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550144,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,415.12188,[M-H]-,60.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550145,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,415.12188,[M-H]-,30.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550146,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,415.12188,[M-H]-,20.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550147,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,417.13643,[M+H]+,20.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550148,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,417.13643,[M+H]+,20.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550149,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,417.13643,[M+H]+,60.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550150,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,417.13643,[M+H]+,30.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550151,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,417.13643,[M+H]+,20.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550152,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,417.13643,[M+H]+,60.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550153,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,417.13643,[M+H]+,30.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550154,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12,417.13643,[M+H]+,20.0,test,CN1CC(c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
550155,CCn1c(=O)[nH]c2c(ccc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2)c1=O,459.14741,[M-H]-,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc2c1=O
550156,CCn1c(=O)[nH]c2c(ccc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2)c1=O,459.14741,[M-H]-,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc2c1=O
550157,CCn1c(=O)[nH]c2c(ccc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2)c1=O,459.14741,[M-H]-,60.0,test,CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc2c1=O
550158,CCn1c(=O)[nH]c2c(ccc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2)c1=O,459.14741,[M-H]-,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc2c1=O
550159,CCn1c(=O)[nH]c2c(ccc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2)c1=O,459.14741,[M-H]-,45.0,test,CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc2c1=O
550160,CCn1c(=O)[nH]c2c(ccc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2)c1=O,461.16196,[M+H]+,20.0,test,CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc2c1=O
550161,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,472.11997,[M-H]-,20.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550162,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,472.11997,[M-H]-,20.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550163,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,472.11997,[M-H]-,60.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550164,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,472.11997,[M-H]-,30.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550165,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,472.11997,[M-H]-,20.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550166,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,474.13452,[M+H]+,20.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550167,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,474.13452,[M+H]+,20.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550168,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,474.13452,[M+H]+,60.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550169,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,474.13452,[M+H]+,15.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550170,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,474.13452,[M+H]+,20.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550171,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,474.13452,[M+H]+,60.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550172,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,474.13452,[M+H]+,15.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550173,Cc1c(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(C)s1,474.13452,[M+H]+,20.0,test,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
550174,COc1c(-n2cnc(C)c2)ccc(-c2cn(C3CCc4c(cccc4F)N(CC(F)(F)F)C3=O)nn2)c1,515.18131,[M+H]+,20.0,test,COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1
550175,COc1c(-n2cnc(C)c2)ccc(-c2cn(C3CCc4c(cccc4F)N(CC(F)(F)F)C3=O)nn2)c1,515.18131,[M+H]+,20.0,test,COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1
550176,COc1c(-n2cnc(C)c2)ccc(-c2cn(C3CCc4c(cccc4F)N(CC(F)(F)F)C3=O)nn2)c1,515.18131,[M+H]+,60.0,test,COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1
550177,COc1c(-n2cnc(C)c2)ccc(-c2cn(C3CCc4c(cccc4F)N(CC(F)(F)F)C3=O)nn2)c1,515.18131,[M+H]+,20.0,test,COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1
550178,COc1c(-n2cnc(C)c2)ccc(-c2cn(C3CCc4c(cccc4F)N(CC(F)(F)F)C3=O)nn2)c1,515.18131,[M+H]+,45.0,test,COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1
550179,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1,448.16671,[M+H]+,30.0,test,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1
550180,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1,448.16671,[M+H]+,30.0,test,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1
550181,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1,448.16671,[M+H]+,60.0,test,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1
550182,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1,448.16671,[M+H]+,20.0,test,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1
550183,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1,448.16671,[M+H]+,30.0,test,COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1
550184,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,399.17032,[M+H]+,20.0,test,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
550185,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,399.17032,[M+H]+,20.0,test,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
550186,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,399.17032,[M+H]+,60.0,test,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
550187,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,399.17032,[M+H]+,30.0,test,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
550188,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,399.17032,[M+H]+,20.0,test,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
550189,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,399.17032,[M+H]+,60.0,test,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
550190,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,399.17032,[M+H]+,30.0,test,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
550191,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,399.17032,[M+H]+,20.0,test,O=C(NCCc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
550192,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,413.15068,[M-H]-,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550193,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,413.15068,[M-H]-,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550194,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,413.15068,[M-H]-,60.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550195,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,413.15068,[M-H]-,30.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550196,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,413.15068,[M-H]-,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550197,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,413.15068,[M-H]-,60.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550198,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,413.15068,[M-H]-,30.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550199,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,413.15068,[M-H]-,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550200,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,449.12736,[M+Cl]-,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550201,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,449.12736,[M+Cl]-,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550202,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,449.12736,[M+Cl]-,60.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550203,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,449.12736,[M+Cl]-,15.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550204,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,449.12736,[M+Cl]-,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550205,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,415.16523,[M+H]+,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550206,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,415.16523,[M+H]+,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550207,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,415.16523,[M+H]+,60.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550208,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,415.16523,[M+H]+,15.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550209,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1,415.16523,[M+H]+,20.0,test,COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)c1
550210,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,441.13907,[M-H]-,20.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550211,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,441.13907,[M-H]-,20.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550212,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,441.13907,[M-H]-,45.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550213,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,441.13907,[M-H]-,60.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550214,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,441.13907,[M-H]-,20.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550215,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,441.13907,[M-H]-,45.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550216,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,441.13907,[M-H]-,60.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550217,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,441.13907,[M-H]-,20.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550218,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,443.15362,[M+H]+,20.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550219,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,443.15362,[M+H]+,20.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550220,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,443.15362,[M+H]+,30.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550221,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,443.15362,[M+H]+,60.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550222,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,443.15362,[M+H]+,20.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550223,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,443.15362,[M+H]+,60.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550224,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,443.15362,[M+H]+,30.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550225,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1,443.15362,[M+H]+,20.0,test,CN1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
550226,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550227,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550228,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,60.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550229,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550230,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,45.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550231,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,60.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550232,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550233,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,45.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550234,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,555.09738,[M+Cl]-,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550235,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,555.09738,[M+Cl]-,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550236,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,555.09738,[M+Cl]-,60.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550237,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,555.09738,[M+Cl]-,15.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550238,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,555.09738,[M+Cl]-,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550239,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,20.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550240,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,20.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550241,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,60.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550242,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,519.1207,[M-H]-,45.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550243,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550244,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550245,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,60.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550246,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,30.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550247,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550248,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550249,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550250,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,60.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550251,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,30.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550252,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@@H]1CCC[C@H](N2c3ccccc3Oc3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
550253,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550254,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550255,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,60.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550256,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,15.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550257,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1,521.13525,[M+H]+,20.0,test,O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
550258,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,531.13193,[M-H]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550259,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,531.13193,[M-H]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550260,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,531.13193,[M-H]-,60.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550261,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,531.13193,[M-H]-,15.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550262,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,531.13193,[M-H]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550263,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,531.13193,[M-H]-,60.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550264,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,531.13193,[M-H]-,15.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550265,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,531.13193,[M-H]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550266,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,567.10861,[M+Cl]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550267,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,567.10861,[M+Cl]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550268,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,567.10861,[M+Cl]-,60.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550269,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,567.10861,[M+Cl]-,15.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550270,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,567.10861,[M+Cl]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550271,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,577.13741,[M+FA]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550272,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,577.13741,[M+FA]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550273,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,577.13741,[M+FA]-,60.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550274,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,577.13741,[M+FA]-,15.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550275,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,577.13741,[M+FA]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550276,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,577.13741,[M+FA]-,60.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550277,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,577.13741,[M+FA]-,15.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550278,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,577.13741,[M+FA]-,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550279,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,533.14649,[M+H]+,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550280,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,533.14649,[M+H]+,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550281,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,533.14649,[M+H]+,60.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550282,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,533.14649,[M+H]+,30.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550283,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1,533.14649,[M+H]+,20.0,test,O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
550284,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1,434.18745,[M+H]+,20.0,test,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1
550285,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1,434.18745,[M+H]+,20.0,test,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1
550286,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1,434.18745,[M+H]+,60.0,test,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1
550287,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1,434.18745,[M+H]+,30.0,test,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1
550288,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1,434.18745,[M+H]+,20.0,test,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1
550289,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1,434.18745,[M+H]+,60.0,test,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1
550290,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1,434.18745,[M+H]+,30.0,test,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1
550291,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1,434.18745,[M+H]+,20.0,test,O=C(N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1)C1(c2ccccc2)CCOCC1
550292,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,20.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550293,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,20.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550294,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,60.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550295,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,15.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550296,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,20.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550297,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,20.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550298,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,20.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550299,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,60.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550300,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,30.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550301,CNc1ncc2cc(-c3c(Cl)cc(-c4cccc(C)n4)cc3)c(=O)n(CC3OCC(N)CO3)c2n1,493.17494,[M+H]+,20.0,test,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1
550302,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,607.15921,[M+FA]-,20.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550303,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,607.15921,[M+FA]-,15.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550304,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,607.15921,[M+FA]-,15.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550305,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,563.16829,[M+H]+,20.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550306,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,563.16829,[M+H]+,20.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550307,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,563.16829,[M+H]+,60.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550308,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,563.16829,[M+H]+,30.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550309,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,563.16829,[M+H]+,20.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550310,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,563.16829,[M+H]+,60.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550311,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,563.16829,[M+H]+,30.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550312,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1,563.16829,[M+H]+,20.0,test,Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1
550313,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O,433.20343,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O
550314,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O,433.20343,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O
550315,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O,433.20343,[M+H]+,45.0,test,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O
550316,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O,433.20343,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O
550317,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O,433.20343,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O
550318,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O,433.20343,[M+H]+,45.0,test,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O
550319,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O,433.20343,[M+H]+,60.0,test,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O
550320,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O,433.20343,[M+H]+,20.0,test,Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O
550321,CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(/C=N/OC(C)(C)C)c3Cn1c2=O,448.1867,[M+H]+,20.0,test,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
550322,CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(/C=N/OC(C)(C)C)c3Cn1c2=O,448.1867,[M+H]+,20.0,test,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
550323,CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(/C=N/OC(C)(C)C)c3Cn1c2=O,448.1867,[M+H]+,60.0,test,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
550324,CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(/C=N/OC(C)(C)C)c3Cn1c2=O,448.1867,[M+H]+,30.0,test,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
550325,CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(/C=N/OC(C)(C)C)c3Cn1c2=O,448.1867,[M+H]+,20.0,test,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
550326,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,446.17215,[M-H]-,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550327,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,446.17215,[M-H]-,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550328,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,446.17215,[M-H]-,60.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550329,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,446.17215,[M-H]-,30.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550330,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,446.17215,[M-H]-,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550331,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,492.17762,[M+FA]-,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550332,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,492.17762,[M+FA]-,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550333,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,492.17762,[M+FA]-,60.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550334,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,492.17762,[M+FA]-,15.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550335,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,492.17762,[M+FA]-,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550336,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,492.17762,[M+FA]-,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550337,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,492.17762,[M+FA]-,15.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550338,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,492.17762,[M+FA]-,60.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550339,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,446.17215,[M-H]-,20.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550340,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,446.17215,[M-H]-,20.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550341,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,446.17215,[M-H]-,45.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550342,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,446.17215,[M-H]-,60.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550343,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1,492.17762,[M+FA]-,20.0,test,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1
550344,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1,492.17762,[M+FA]-,20.0,test,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1
550345,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1,492.17762,[M+FA]-,60.0,test,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1
550346,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1,448.1867,[M+H]+,20.0,test,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1
550347,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1,448.1867,[M+H]+,20.0,test,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1
550348,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1,448.1867,[M+H]+,45.0,test,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1
550349,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1,448.1867,[M+H]+,60.0,test,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1
550350,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1,448.1867,[M+H]+,20.0,test,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)n(C)n2)c1
550351,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,448.1867,[M+H]+,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550352,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,448.1867,[M+H]+,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550353,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,448.1867,[M+H]+,60.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550354,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,448.1867,[M+H]+,15.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550355,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21,448.1867,[M+H]+,20.0,test,CCN1C(=O)c2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21
550356,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,448.1867,[M+H]+,20.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550357,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,448.1867,[M+H]+,20.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550358,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,448.1867,[M+H]+,45.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550359,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,448.1867,[M+H]+,60.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550360,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,448.1867,[M+H]+,20.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550361,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,448.1867,[M+H]+,45.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550362,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,448.1867,[M+H]+,60.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550363,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1,448.1867,[M+H]+,20.0,test,CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1
550364,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cnccc3)C2)cc1,426.19355,[M-H]-,20.0,test,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
550365,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cnccc3)C2)cc1,426.19355,[M-H]-,20.0,test,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
550366,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cnccc3)C2)cc1,426.19355,[M-H]-,60.0,test,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
550367,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cnccc3)C2)cc1,428.2081,[M+H]+,20.0,test,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
550368,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cnccc3)C2)cc1,428.2081,[M+H]+,20.0,test,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
550369,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cnccc3)C2)cc1,428.2081,[M+H]+,60.0,test,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
550370,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cnccc3)C2)cc1,428.2081,[M+H]+,30.0,test,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
550371,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cnccc3)C2)cc1,428.2081,[M+H]+,20.0,test,CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
550372,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O,473.13932,[M+H]+,20.0,test,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O
550373,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O,473.13932,[M+H]+,20.0,test,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O
550374,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O,473.13932,[M+H]+,60.0,test,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O
550375,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O,473.13932,[M+H]+,30.0,test,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O
550376,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O,473.13932,[M+H]+,20.0,test,CCCC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O
550377,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550378,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,60.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550379,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,15.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550380,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550381,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,60.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550382,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,15.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550383,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550384,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550385,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550386,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,60.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550387,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,30.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550388,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550389,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,60.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550390,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,30.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550391,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550392,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550393,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,60.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550394,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,15.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550395,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550396,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,60.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550397,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,15.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550398,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,545.18805,[M+FA]-,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550399,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550400,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550401,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,60.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550402,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,30.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550403,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550404,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,60.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550405,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,30.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550406,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,501.19712,[M+H]+,20.0,test,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
550407,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,429.17546,[M-H]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550408,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,429.17546,[M-H]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550409,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,429.17546,[M-H]-,60.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550410,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,429.17546,[M-H]-,30.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550411,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,429.17546,[M-H]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550412,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,465.15213,[M+Cl]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550413,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,465.15213,[M+Cl]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550414,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,465.15213,[M+Cl]-,60.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550415,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,465.15213,[M+Cl]-,15.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550416,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,465.15213,[M+Cl]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550417,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,475.18093,[M+FA]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550418,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,475.18093,[M+FA]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550419,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,475.18093,[M+FA]-,60.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550420,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,475.18093,[M+FA]-,30.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550421,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,475.18093,[M+FA]-,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550422,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,431.19001,[M+H]+,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550423,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,431.19001,[M+H]+,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550424,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,431.19001,[M+H]+,30.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550425,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,431.19001,[M+H]+,60.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550426,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,431.19001,[M+H]+,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550427,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,431.19001,[M+H]+,45.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550428,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,431.19001,[M+H]+,60.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550429,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1,431.19001,[M+H]+,20.0,test,O=C(CC1(n2cccc2)CCSCC1)NC(c1ccccc1)c1nc2ccccc2[nH]1
550430,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,475.18502,[M-H]-,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550431,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,475.18502,[M-H]-,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550432,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,475.18502,[M-H]-,60.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550433,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,475.18502,[M-H]-,15.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550434,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,475.18502,[M-H]-,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550435,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,475.18502,[M-H]-,60.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550436,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,475.18502,[M-H]-,15.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550437,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,475.18502,[M-H]-,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550438,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,511.16169,[M+Cl]-,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550439,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,511.16169,[M+Cl]-,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550440,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,511.16169,[M+Cl]-,60.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550441,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,511.16169,[M+Cl]-,15.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550442,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,511.16169,[M+Cl]-,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550443,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,477.19957,[M+H]+,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550444,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,477.19957,[M+H]+,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550445,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,477.19957,[M+H]+,60.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550446,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,477.19957,[M+H]+,30.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550447,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,477.19957,[M+H]+,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550448,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,477.19957,[M+H]+,60.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550449,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,477.19957,[M+H]+,30.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550450,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,477.19957,[M+H]+,20.0,test,Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
550451,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550452,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550453,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,60.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550454,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,30.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550455,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550456,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,30.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550457,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550458,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550459,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550460,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,60.0,test,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550461,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,30.0,test,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550462,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550463,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550464,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550465,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,60.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550466,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,30.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550467,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550468,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,60.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550469,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,30.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550470,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,374.21146,[M+H]+,20.0,test,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
550471,CCCC(NC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)n1)c1ccc(OCCN2CCOCC2)cc1,501.14657,[M-H]-,20.0,test,CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1
550472,CCCC(NC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)n1)c1ccc(OCCN2CCOCC2)cc1,501.14657,[M-H]-,20.0,test,CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1
550473,CCCC(NC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)n1)c1ccc(OCCN2CCOCC2)cc1,501.14657,[M-H]-,15.0,test,CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1
550474,CCCC(NC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)n1)c1ccc(OCCN2CCOCC2)cc1,503.16112,[M+H]+,20.0,test,CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1
550475,CCCC(NC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)n1)c1ccc(OCCN2CCOCC2)cc1,503.16112,[M+H]+,20.0,test,CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1
550476,CCCC(NC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)n1)c1ccc(OCCN2CCOCC2)cc1,503.16112,[M+H]+,60.0,test,CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1
550477,CCCC(NC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)n1)c1ccc(OCCN2CCOCC2)cc1,503.16112,[M+H]+,30.0,test,CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1
550478,CCCC(NC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)n1)c1ccc(OCCN2CCOCC2)cc1,503.16112,[M+H]+,20.0,test,CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1
550479,CN(CCCNC(=O)c1cc2c(cc1)nc1CCCCc1c2Cl)Cc1ccccc1,422.19937,[M+H]+,20.0,test,CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
550480,CN(CCCNC(=O)c1cc2c(cc1)nc1CCCCc1c2Cl)Cc1ccccc1,422.19937,[M+H]+,20.0,test,CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
550481,CN(CCCNC(=O)c1cc2c(cc1)nc1CCCCc1c2Cl)Cc1ccccc1,422.19937,[M+H]+,60.0,test,CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
550482,CN(CCCNC(=O)c1cc2c(cc1)nc1CCCCc1c2Cl)Cc1ccccc1,422.19937,[M+H]+,20.0,test,CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
550483,CN(CCCNC(=O)c1cc2c(cc1)nc1CCCCc1c2Cl)Cc1ccccc1,422.19937,[M+H]+,45.0,test,CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
550484,CN(CCCNC(=O)c1cc2c(cc1)nc1CCCCc1c2Cl)Cc1ccccc1,422.19937,[M+H]+,60.0,test,CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
550485,CN(CCCNC(=O)c1cc2c(cc1)nc1CCCCc1c2Cl)Cc1ccccc1,422.19937,[M+H]+,20.0,test,CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
550486,CN(CCCNC(=O)c1cc2c(cc1)nc1CCCCc1c2Cl)Cc1ccccc1,422.19937,[M+H]+,45.0,test,CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
550487,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cc(Cl)ccc2)CC1,422.19937,[M+H]+,20.0,test,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
550488,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cc(Cl)ccc2)CC1,422.19937,[M+H]+,20.0,test,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
550489,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cc(Cl)ccc2)CC1,422.19937,[M+H]+,60.0,test,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
550490,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cc(Cl)ccc2)CC1,422.19937,[M+H]+,30.0,test,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
550491,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cc(Cl)ccc2)CC1,422.19937,[M+H]+,20.0,test,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
550492,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cc(Cl)ccc2)CC1,422.19937,[M+H]+,60.0,test,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
550493,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cc(Cl)ccc2)CC1,422.19937,[M+H]+,30.0,test,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
550494,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cc(Cl)ccc2)CC1,422.19937,[M+H]+,20.0,test,O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
550495,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2c1cc(Cl)cc2,438.19428,[M+H]+,20.0,test,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
550496,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2c1cc(Cl)cc2,438.19428,[M+H]+,20.0,test,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
550497,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2c1cc(Cl)cc2,438.19428,[M+H]+,60.0,test,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
550498,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2c1cc(Cl)cc2,438.19428,[M+H]+,30.0,test,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
550499,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2c1cc(Cl)cc2,438.19428,[M+H]+,20.0,test,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
550500,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2c1cc(Cl)cc2,438.19428,[M+H]+,60.0,test,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
550501,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2c1cc(Cl)cc2,438.19428,[M+H]+,30.0,test,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
550502,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2c1cc(Cl)cc2,438.19428,[M+H]+,20.0,test,CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
550503,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,495.17077,[M-H]-,20.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550504,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,495.17077,[M-H]-,20.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550505,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,495.17077,[M-H]-,60.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550506,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,495.17077,[M-H]-,60.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550507,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,497.18532,[M+H]+,20.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550508,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,497.18532,[M+H]+,20.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550509,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,497.18532,[M+H]+,60.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550510,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,497.18532,[M+H]+,30.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550511,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,497.18532,[M+H]+,20.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550512,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,497.18532,[M+H]+,30.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550513,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,497.18532,[M+H]+,60.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550514,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O,497.18532,[M+H]+,20.0,test,CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c1)NC(=O)CCC2=O
550515,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550516,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550517,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,60.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550518,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550519,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,45.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550520,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,495.22274,[M+Na]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550521,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,495.22274,[M+Na]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550522,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,495.22274,[M+Na]+,60.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550523,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,495.22274,[M+Na]+,15.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550524,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,495.22274,[M+Na]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550525,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,495.22274,[M+Na]+,60.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550526,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,495.22274,[M+Na]+,15.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550527,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,495.22274,[M+Na]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550528,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550529,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550530,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,60.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550531,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550532,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,45.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550533,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,60.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550534,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,20.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550535,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3c(C)n1)c(=O)n2C,473.2408,[M+H]+,45.0,test,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
550536,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,423.18131,[M-H]-,20.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550537,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,423.18131,[M-H]-,20.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550538,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,423.18131,[M-H]-,60.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550539,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,423.18131,[M-H]-,20.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550540,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,423.18131,[M-H]-,45.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550541,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(cc(O)c(OC)c3CC=C(C)C)oc2c1,423.18131,[M-H]-,20.0,test,COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
550542,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(cc(O)c(OC)c3CC=C(C)C)oc2c1,423.18131,[M-H]-,20.0,test,COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
550543,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(cc(O)c(OC)c3CC=C(C)C)oc2c1,423.18131,[M-H]-,60.0,test,COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
550544,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(cc(O)c(OC)c3CC=C(C)C)oc2c1,423.18131,[M-H]-,20.0,test,COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
550545,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(cc(O)c(OC)c3CC=C(C)C)oc2c1,423.18131,[M-H]-,45.0,test,COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
550546,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,425.19586,[M+H]+,20.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550547,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,425.19586,[M+H]+,20.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550548,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,425.19586,[M+H]+,60.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550549,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,425.19586,[M+H]+,30.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550550,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,425.19586,[M+H]+,20.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550551,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,425.19586,[M+H]+,60.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550552,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,425.19586,[M+H]+,30.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550553,COc1c(CC(=O)c2c(O)cc3OC(C)(C)C(O)Cc3c2)ccc2c1C=CC(C)(C)O2,425.19586,[M+H]+,20.0,test,COc1c(CC(=O)c2cc3c(cc2O)OC(C)(C)C(O)C3)ccc2c1C=CC(C)(C)O2
550554,CC(C)=CCc1c(O)c(CC=C(C)C)c2OCC(c3c(O)cc(O)cc3)C(=O)c2c1O,423.18131,[M-H]-,20.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
550555,CC(C)=CCc1c(O)c(CC=C(C)C)c2OCC(c3c(O)cc(O)cc3)C(=O)c2c1O,423.18131,[M-H]-,20.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
550556,CC(C)=CCc1c(O)c(CC=C(C)C)c2OCC(c3c(O)cc(O)cc3)C(=O)c2c1O,423.18131,[M-H]-,60.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
550557,CC(C)=CCc1c(O)c(CC=C(C)C)c2OCC(c3c(O)cc(O)cc3)C(=O)c2c1O,423.18131,[M-H]-,30.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
550558,CC(C)=CCc1c(O)c(CC=C(C)C)c2OCC(c3c(O)cc(O)cc3)C(=O)c2c1O,423.18131,[M-H]-,20.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
550559,CC(C)=CCc1c(O)c(CC=C(C)C)c2OCC(c3c(O)cc(O)cc3)C(=O)c2c1O,423.18131,[M-H]-,45.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
550560,CC(C)=CCc1c(O)c(CC=C(C)C)c2OCC(c3c(O)cc(O)cc3)C(=O)c2c1O,423.18131,[M-H]-,60.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
550561,CC(C)=CCc1c(O)c(CC=C(C)C)c2OCC(c3c(O)cc(O)cc3)C(=O)c2c1O,423.18131,[M-H]-,20.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
550562,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,423.18131,[M-H]-,20.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
550563,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,423.18131,[M-H]-,20.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
550564,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,423.18131,[M-H]-,60.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
550565,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,423.18131,[M-H]-,30.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
550566,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,423.18131,[M-H]-,20.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
550567,CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(c3cc(O)cc(O)c3)CC(=O)c2c1O,423.18131,[M-H]-,20.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)CC(c1cc(O)cc(O)c1)O2
550568,CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(c3cc(O)cc(O)c3)CC(=O)c2c1O,423.18131,[M-H]-,20.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)CC(c1cc(O)cc(O)c1)O2
550569,CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(c3cc(O)cc(O)c3)CC(=O)c2c1O,423.18131,[M-H]-,60.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)CC(c1cc(O)cc(O)c1)O2
550570,CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(c3cc(O)cc(O)c3)CC(=O)c2c1O,423.18131,[M-H]-,30.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)CC(c1cc(O)cc(O)c1)O2
550571,CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(c3cc(O)cc(O)c3)CC(=O)c2c1O,423.18131,[M-H]-,20.0,test,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)CC(c1cc(O)cc(O)c1)O2
550572,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)OC(c1cc(O)c(O)cc1)CC2=O,423.18131,[M-H]-,20.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)c(O)c1)O2
550573,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)OC(c1cc(O)c(O)cc1)CC2=O,423.18131,[M-H]-,20.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)c(O)c1)O2
550574,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)OC(c1cc(O)c(O)cc1)CC2=O,423.18131,[M-H]-,60.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)c(O)c1)O2
550575,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)OC(c1cc(O)c(O)cc1)CC2=O,423.18131,[M-H]-,30.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)c(O)c1)O2
550576,CC(C)=CCC/C(C)=C/Cc1c(O)c2c(cc1O)OC(c1cc(O)c(O)cc1)CC2=O,423.18131,[M-H]-,20.0,test,CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)c(O)c1)O2
550577,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,423.18131,[M-H]-,20.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550578,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,423.18131,[M-H]-,20.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550579,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,423.18131,[M-H]-,45.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550580,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,423.18131,[M-H]-,60.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550581,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,423.18131,[M-H]-,20.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550582,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC,425.19586,[M+H]+,20.0,test,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
550583,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC,425.19586,[M+H]+,20.0,test,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
550584,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC,425.19586,[M+H]+,60.0,test,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
550585,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC,425.19586,[M+H]+,15.0,test,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
550586,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC,425.19586,[M+H]+,20.0,test,COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
550587,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,425.19586,[M+H]+,20.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550588,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,425.19586,[M+H]+,20.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550589,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,425.19586,[M+H]+,60.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550590,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,425.19586,[M+H]+,30.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550591,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,425.19586,[M+H]+,20.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550592,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,425.19586,[M+H]+,30.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550593,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,425.19586,[M+H]+,60.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550594,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC,425.19586,[M+H]+,20.0,test,COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
550595,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O,501.17662,[M+FA]-,20.0,test,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O
550596,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O,501.17662,[M+FA]-,20.0,test,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O
550597,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O,501.17662,[M+FA]-,60.0,test,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O
550598,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O,501.17662,[M+FA]-,30.0,test,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O
550599,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O,501.17662,[M+FA]-,20.0,test,C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)CC[C@]32C)[C@H](O)[C@@]1(C)OC4=O
550600,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O,457.18569,[M+H]+,20.0,test,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O
550601,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O,457.18569,[M+H]+,20.0,test,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O
550602,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O,457.18569,[M+H]+,60.0,test,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O
550603,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O,457.18569,[M+H]+,30.0,test,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O
550604,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O,457.18569,[M+H]+,20.0,test,C=C1C2(C)CC3C4(C)OC(C5OC56C4=CC(=O)OC6(C)C)C3(C)C13C(=O)OC(C)C3(O)C2=O
550605,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,542.24342,[M+H]+,20.0,test,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1
550606,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,542.24342,[M+H]+,20.0,test,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1
550607,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,542.24342,[M+H]+,60.0,test,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1
550608,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,542.24342,[M+H]+,20.0,test,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1
550609,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,542.24342,[M+H]+,45.0,test,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1
550610,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,542.24342,[M+H]+,60.0,test,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1
550611,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,542.24342,[M+H]+,20.0,test,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1
550612,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,542.24342,[M+H]+,45.0,test,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1
550613,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,483.20492,[M-H]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550614,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,483.20492,[M-H]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550615,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,483.20492,[M-H]-,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550616,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,483.20492,[M-H]-,15.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550617,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,483.20492,[M-H]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550618,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,519.1816,[M+Cl]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550619,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,519.1816,[M+Cl]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550620,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,519.1816,[M+Cl]-,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550621,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,519.1816,[M+Cl]-,15.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550622,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,519.1816,[M+Cl]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550623,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,529.2104,[M+FA]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550624,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,529.2104,[M+FA]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550625,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,529.2104,[M+FA]-,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550626,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,529.2104,[M+FA]-,15.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550627,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,529.2104,[M+FA]-,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550628,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550629,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550630,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550631,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,30.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550632,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550633,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550634,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,30.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550635,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550636,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,484.21165,[M]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550637,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,484.21165,[M]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550638,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,484.21165,[M]+,30.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550639,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,484.21165,[M]+,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550640,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,484.21165,[M]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550641,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550642,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550643,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550644,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,30.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550645,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550646,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550647,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,30.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550648,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550649,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550650,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550651,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550652,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,30.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550653,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550654,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,60.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550655,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,30.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550656,CNC(=O)O[C@H]1COc2c(cc(N3CCN(C4COC4)CC3)cc2)[C@@H]1NC(=O)c1ccc(F)cc1,485.21947,[M+H]+,20.0,test,CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1
550657,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,434.20853,[M-H]-,20.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550658,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,434.20853,[M-H]-,20.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550659,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,434.20853,[M-H]-,60.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550660,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,434.20853,[M-H]-,30.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550661,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,434.20853,[M-H]-,20.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550662,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,434.20853,[M-H]-,60.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550663,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,434.20853,[M-H]-,30.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550664,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,434.20853,[M-H]-,20.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550665,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,436.22308,[M+H]+,20.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550666,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,436.22308,[M+H]+,20.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550667,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,436.22308,[M+H]+,30.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550668,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,436.22308,[M+H]+,60.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550669,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,436.22308,[M+H]+,15.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550670,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,436.22308,[M+H]+,20.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550671,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,436.22308,[M+H]+,60.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550672,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2,436.22308,[M+H]+,20.0,test,CC(C)OCCCN1CC2=C(C1=O)C(c1ccc(OCc3ccccc3)cc1)NC(=O)N2
550673,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,434.20853,[M-H]-,20.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550674,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,434.20853,[M-H]-,20.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550675,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,434.20853,[M-H]-,45.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550676,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,434.20853,[M-H]-,60.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550677,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,434.20853,[M-H]-,20.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550678,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC,436.22308,[M+H]+,20.0,test,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC
550679,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC,436.22308,[M+H]+,20.0,test,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC
550680,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC,436.22308,[M+H]+,60.0,test,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC
550681,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC,436.22308,[M+H]+,15.0,test,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC
550682,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC,436.22308,[M+H]+,20.0,test,CCOc1ccc(CC(=O)N2CCCC2c2nc(-c3ccccc3C)no2)cc1OCC
550683,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,436.22308,[M+H]+,20.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550684,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,436.22308,[M+H]+,20.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550685,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,436.22308,[M+H]+,45.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550686,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,436.22308,[M+H]+,60.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550687,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,436.22308,[M+H]+,20.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550688,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,436.22308,[M+H]+,60.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550689,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,436.22308,[M+H]+,45.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550690,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1,436.22308,[M+H]+,20.0,test,COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc3cc(OC)c(OC)cc23)cc1
550691,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,450.20344,[M-H]-,20.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550692,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,450.20344,[M-H]-,20.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550693,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,450.20344,[M-H]-,60.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550694,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,450.20344,[M-H]-,30.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550695,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,450.20344,[M-H]-,20.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550696,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,452.218,[M+H]+,20.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550697,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,452.218,[M+H]+,20.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550698,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,452.218,[M+H]+,60.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550699,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,452.218,[M+H]+,15.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550700,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2c(cc(C)c(C)c2)N1,452.218,[M+H]+,20.0,test,CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(OC)cc2)c2cc(C)c(C)cc2N1
550701,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,406.20238,[M-H]-,20.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550702,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,406.20238,[M-H]-,20.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550703,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,406.20238,[M-H]-,60.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550704,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,406.20238,[M-H]-,30.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550705,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,406.20238,[M-H]-,20.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550706,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,406.20238,[M-H]-,45.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550707,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,406.20238,[M-H]-,60.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550708,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,406.20238,[M-H]-,20.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550709,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,408.21693,[M+H]+,20.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550710,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,408.21693,[M+H]+,20.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550711,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,408.21693,[M+H]+,60.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550712,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,408.21693,[M+H]+,30.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550713,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,408.21693,[M+H]+,20.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550714,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,408.21693,[M+H]+,60.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550715,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,408.21693,[M+H]+,30.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550716,COc1c(CC=C(C)C)c(O)c2c(=O)c3c(c(O)ccc3)n(C)c2c1CC=C(C)C,408.21693,[M+H]+,20.0,test,COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C
550717,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,20.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550718,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,20.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550719,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,60.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550720,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,30.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550721,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,20.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550722,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,20.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550723,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,20.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550724,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,60.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550725,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,20.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550726,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,45.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550727,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,60.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550728,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,20.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550729,OC(c1c2cc(Cl)cc(Cl)c2nc(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCN1,445.18079,[M+H]+,45.0,test,OC(c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1
550730,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,474.16889,[M-H]-,20.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550731,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,474.16889,[M-H]-,20.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550732,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,474.16889,[M-H]-,60.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550733,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,474.16889,[M-H]-,15.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550734,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,474.16889,[M-H]-,20.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550735,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,476.18344,[M+H]+,20.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550736,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,476.18344,[M+H]+,20.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550737,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,476.18344,[M+H]+,60.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550738,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,476.18344,[M+H]+,30.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550739,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,476.18344,[M+H]+,20.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550740,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,476.18344,[M+H]+,60.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550741,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,476.18344,[M+H]+,30.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550742,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O,476.18344,[M+H]+,20.0,test,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
550743,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,425.19696,[M-H]-,20.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550744,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,425.19696,[M-H]-,20.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550745,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,425.19696,[M-H]-,60.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550746,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,425.19696,[M-H]-,20.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550747,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,425.19696,[M-H]-,45.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550748,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,425.19696,[M-H]-,60.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550749,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,425.19696,[M-H]-,20.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550750,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,425.19696,[M-H]-,45.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550751,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,427.21151,[M+H]+,20.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550752,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,427.21151,[M+H]+,20.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550753,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,427.21151,[M+H]+,30.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550754,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,427.21151,[M+H]+,60.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550755,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,427.21151,[M+H]+,20.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550756,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,427.21151,[M+H]+,45.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550757,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,427.21151,[M+H]+,60.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550758,CCCCCc1cc2cc(O)cc(Oc3c(CCCCC)cc(O)cc3O)c2c(=O)o1,427.21151,[M+H]+,20.0,test,CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
550759,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1,393.25365,[M+H]+,45.0,test,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
550760,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1,393.25365,[M+H]+,45.0,test,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
550761,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1,393.25365,[M+H]+,45.0,test,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
550762,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1,393.25365,[M+H]+,60.0,test,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
550763,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1,393.25365,[M+H]+,20.0,test,O=C(NC1CCCCCC1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
550764,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,453.2395,[M+FA]-,20.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550765,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,453.2395,[M+FA]-,20.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550766,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,453.2395,[M+FA]-,60.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550767,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,453.2395,[M+FA]-,15.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550768,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,453.2395,[M+FA]-,20.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550769,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,409.24857,[M+H]+,20.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550770,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,409.24857,[M+H]+,20.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550771,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,409.24857,[M+H]+,30.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550772,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,409.24857,[M+H]+,60.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550773,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,409.24857,[M+H]+,15.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550774,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,409.24857,[M+H]+,20.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550775,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,409.24857,[M+H]+,60.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550776,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1,409.24857,[M+H]+,20.0,test,COc1ccc(CCC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)cc1
550777,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,475.19736,[M-H]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550778,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,475.19736,[M-H]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550779,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,475.19736,[M-H]-,60.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550780,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,475.19736,[M-H]-,15.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550781,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,475.19736,[M-H]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550782,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,511.17403,[M+Cl]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550783,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,511.17403,[M+Cl]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550784,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,511.17403,[M+Cl]-,60.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550785,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,511.17403,[M+Cl]-,30.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550786,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,511.17403,[M+Cl]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550787,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,521.20284,[M+FA]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550788,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,521.20284,[M+FA]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550789,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,521.20284,[M+FA]-,60.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550790,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,521.20284,[M+FA]-,15.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550791,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,521.20284,[M+FA]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550792,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,521.20284,[M+FA]-,60.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550793,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,521.20284,[M+FA]-,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550794,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,494.23846,[M+NH4]+,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550795,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,494.23846,[M+NH4]+,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550796,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,494.23846,[M+NH4]+,60.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550797,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,494.23846,[M+NH4]+,15.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550798,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,494.23846,[M+NH4]+,20.0,test,O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
550799,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cc(F)ccc4)CC3)cc2)CCN1,425.27112,[M+H]+,20.0,test,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
550800,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cc(F)ccc4)CC3)cc2)CCN1,425.27112,[M+H]+,20.0,test,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
550801,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cc(F)ccc4)CC3)cc2)CCN1,425.27112,[M+H]+,60.0,test,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
550802,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cc(F)ccc4)CC3)cc2)CCN1,425.27112,[M+H]+,20.0,test,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
550803,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cc(F)ccc4)CC3)cc2)CCN1,425.27112,[M+H]+,45.0,test,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
550804,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cc(F)ccc4)CC3)cc2)CCN1,425.27112,[M+H]+,60.0,test,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
550805,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cc(F)ccc4)CC3)cc2)CCN1,425.27112,[M+H]+,20.0,test,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
550806,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cc(F)ccc4)CC3)cc2)CCN1,425.27112,[M+H]+,45.0,test,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
550807,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,496.19299,[M+Cl]-,20.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550808,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,496.19299,[M+Cl]-,20.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550809,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,496.19299,[M+Cl]-,60.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550810,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,496.19299,[M+Cl]-,15.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550811,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,496.19299,[M+Cl]-,20.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550812,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,462.23087,[M+H]+,20.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550813,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,462.23087,[M+H]+,20.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550814,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,462.23087,[M+H]+,60.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550815,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,462.23087,[M+H]+,15.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550816,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,462.23087,[M+H]+,20.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550817,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,462.23087,[M+H]+,60.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550818,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,462.23087,[M+H]+,15.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550819,CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(CO)c(OCC3CCOCC3)cc2)cc1,462.23087,[M+H]+,20.0,test,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
550820,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,461.25448,[M+FA]-,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550821,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,461.25448,[M+FA]-,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550822,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,461.25448,[M+FA]-,60.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550823,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,461.25448,[M+FA]-,15.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550824,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,461.25448,[M+FA]-,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550825,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,399.25299,[M+H-H2O]+,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550826,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,399.25299,[M+H-H2O]+,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550827,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,399.25299,[M+H-H2O]+,60.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550828,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,399.25299,[M+H-H2O]+,15.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550829,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,399.25299,[M+H-H2O]+,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550830,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,399.25299,[M+H-H2O]+,60.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550831,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,399.25299,[M+H-H2O]+,15.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550832,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,399.25299,[M+H-H2O]+,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550833,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,439.24549,[M+Na]+,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550834,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1,439.24549,[M+Na]+,20.0,test,CC(C)=CCCC1(C)/C=C/C(OC(=O)C=C(C)C)C(C)(O)/C=C/C(=O)/C(CO)=C\C1
550835,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,445.11246,[M-H]-,20.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550836,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,445.11246,[M-H]-,20.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550837,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,445.11246,[M-H]-,30.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550838,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,445.11246,[M-H]-,20.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550839,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,447.12701,[M+H]+,20.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550840,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,447.12701,[M+H]+,20.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550841,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,447.12701,[M+H]+,60.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550842,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,447.12701,[M+H]+,20.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550843,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,447.12701,[M+H]+,45.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550844,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,447.12701,[M+H]+,60.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550845,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,447.12701,[M+H]+,20.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550846,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1)[nH]nc2)c1c(Cl)cc(F)cc1,447.12701,[M+H]+,45.0,test,CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
550847,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,516.09697,[M-H]-,20.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550848,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,516.09697,[M-H]-,20.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550849,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,516.09697,[M-H]-,60.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550850,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,516.09697,[M-H]-,15.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550851,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,516.09697,[M-H]-,20.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550852,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,516.09697,[M-H]-,60.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550853,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,516.09697,[M-H]-,15.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550854,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,516.09697,[M-H]-,20.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550855,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,518.11152,[M+H]+,20.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550856,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,518.11152,[M+H]+,20.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550857,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,518.11152,[M+H]+,60.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550858,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,518.11152,[M+H]+,30.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550859,Cn1cnc(-c2cc3nccc(Oc4c(F)cc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1,518.11152,[M+H]+,20.0,test,Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1
550860,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,462.16347,[M-H]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550861,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,462.16347,[M-H]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550862,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,462.16347,[M-H]-,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550863,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,462.16347,[M-H]-,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550864,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,462.16347,[M-H]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550865,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,508.16895,[M+FA]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550866,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,508.16895,[M+FA]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550867,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,508.16895,[M+FA]-,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550868,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,508.16895,[M+FA]-,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550869,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,508.16895,[M+FA]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550870,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,508.16895,[M+FA]-,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550871,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,508.16895,[M+FA]-,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550872,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,508.16895,[M+FA]-,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550873,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,464.17802,[M+H]+,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550874,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,464.17802,[M+H]+,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550875,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,464.17802,[M+H]+,20.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550876,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,464.17802,[M+H]+,60.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550877,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21,464.17802,[M+H]+,15.0,test,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
550878,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,407.18774,[M-H]-,20.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550879,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,407.18774,[M-H]-,20.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550880,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,407.18774,[M-H]-,60.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550881,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,407.18774,[M-H]-,30.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550882,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,407.18774,[M-H]-,20.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550883,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,443.16441,[M+Cl]-,15.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550884,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,443.16441,[M+Cl]-,15.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550885,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,443.16441,[M+Cl]-,20.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550886,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,443.16441,[M+Cl]-,60.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550887,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,443.16441,[M+Cl]-,15.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550888,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,409.20229,[M+H]+,20.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550889,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,409.20229,[M+H]+,20.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550890,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,409.20229,[M+H]+,30.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550891,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,409.20229,[M+H]+,60.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550892,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,409.20229,[M+H]+,20.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550893,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,409.20229,[M+H]+,45.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550894,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,409.20229,[M+H]+,60.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550895,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,409.20229,[M+H]+,20.0,test,O=C(CCn1ccc2ccccc21)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
550896,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(cc3CCCCc3n2)c1=O,457.16927,[M+H]+,20.0,test,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
550897,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(cc3CCCCc3n2)c1=O,457.16927,[M+H]+,20.0,test,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
550898,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(cc3CCCCc3n2)c1=O,457.16927,[M+H]+,60.0,test,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
550899,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(cc3CCCCc3n2)c1=O,457.16927,[M+H]+,15.0,test,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
550900,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(cc3CCCCc3n2)c1=O,457.16927,[M+H]+,20.0,test,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
550901,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(cc3CCCCc3n2)c1=O,457.16927,[M+H]+,60.0,test,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
550902,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(cc3CCCCc3n2)c1=O,457.16927,[M+H]+,15.0,test,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
550903,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(cc3CCCCc3n2)c1=O,457.16927,[M+H]+,20.0,test,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
550904,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,487.12679,[M-H]-,20.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550905,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,487.12679,[M-H]-,20.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550906,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,487.12679,[M-H]-,60.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550907,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,487.12679,[M-H]-,30.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550908,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,487.12679,[M-H]-,20.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550909,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,489.14134,[M+H]+,20.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550910,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,489.14134,[M+H]+,20.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550911,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,489.14134,[M+H]+,30.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550912,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,489.14134,[M+H]+,60.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550913,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,489.14134,[M+H]+,15.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550914,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,489.14134,[M+H]+,20.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550915,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,489.14134,[M+H]+,60.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550916,Cc1cc(C)c(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)cc1,489.14134,[M+H]+,20.0,test,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
550917,Cc1c(CCOC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)scn1,446.13381,[M]+,20.0,test,Cc1ncsc1CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
550918,Cc1c(CCOC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)scn1,446.13381,[M]+,20.0,test,Cc1ncsc1CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
550919,Cc1c(CCOC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)scn1,446.13381,[M]+,60.0,test,Cc1ncsc1CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
550920,Cc1c(CCOC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)scn1,446.13381,[M]+,20.0,test,Cc1ncsc1CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
550921,Cc1c(CCOC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)scn1,446.13381,[M]+,45.0,test,Cc1ncsc1CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
550922,Cc1c(CCOC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)scn1,446.13381,[M]+,60.0,test,Cc1ncsc1CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
550923,Cc1c(CCOC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)scn1,446.13381,[M]+,20.0,test,Cc1ncsc1CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
550924,Cc1c(CCOC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)scn1,446.13381,[M]+,45.0,test,Cc1ncsc1CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
550925,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,430.166,[M-H]-,20.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550926,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,430.166,[M-H]-,20.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550927,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,430.166,[M-H]-,60.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550928,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,430.166,[M-H]-,15.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550929,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,430.166,[M-H]-,20.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550930,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,432.18055,[M+H]+,20.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550931,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,432.18055,[M+H]+,20.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550932,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,432.18055,[M+H]+,60.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550933,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,432.18055,[M+H]+,15.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550934,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,432.18055,[M+H]+,20.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550935,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,432.18055,[M+H]+,45.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550936,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,432.18055,[M+H]+,20.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550937,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,432.18055,[M+H]+,60.0,test,Cc1cc(O)cc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
550938,Cc1cc(CN2CCC(=C3c4c(cc(Cl)cc4)CCc4c3nccc4)CC2)cnc1,416.1888,[M+H]+,20.0,test,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
550939,Cc1cc(CN2CCC(=C3c4c(cc(Cl)cc4)CCc4c3nccc4)CC2)cnc1,416.1888,[M+H]+,20.0,test,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
550940,Cc1cc(CN2CCC(=C3c4c(cc(Cl)cc4)CCc4c3nccc4)CC2)cnc1,416.1888,[M+H]+,60.0,test,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
550941,Cc1cc(CN2CCC(=C3c4c(cc(Cl)cc4)CCc4c3nccc4)CC2)cnc1,416.1888,[M+H]+,30.0,test,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
550942,Cc1cc(CN2CCC(=C3c4c(cc(Cl)cc4)CCc4c3nccc4)CC2)cnc1,416.1888,[M+H]+,20.0,test,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
550943,Cc1cc(CN2CCC(=C3c4c(cc(Cl)cc4)CCc4c3nccc4)CC2)cnc1,416.1888,[M+H]+,60.0,test,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
550944,Cc1cc(CN2CCC(=C3c4c(cc(Cl)cc4)CCc4c3nccc4)CC2)cnc1,416.1888,[M+H]+,30.0,test,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
550945,Cc1cc(CN2CCC(=C3c4c(cc(Cl)cc4)CCc4c3nccc4)CC2)cnc1,416.1888,[M+H]+,20.0,test,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
550946,O=C(O)C[C@H]1CCc2c1[nH]c1c2cc(OCc2cc(C(F)(F)F)c(C3CCCC3)cc2)cc1,458.19375,[M+H]+,20.0,test,O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
550947,O=C(O)C[C@H]1CCc2c1[nH]c1c2cc(OCc2cc(C(F)(F)F)c(C3CCCC3)cc2)cc1,458.19375,[M+H]+,20.0,test,O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
550948,O=C(O)C[C@H]1CCc2c1[nH]c1c2cc(OCc2cc(C(F)(F)F)c(C3CCCC3)cc2)cc1,458.19375,[M+H]+,60.0,test,O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
550949,O=C(O)C[C@H]1CCc2c1[nH]c1c2cc(OCc2cc(C(F)(F)F)c(C3CCCC3)cc2)cc1,458.19375,[M+H]+,30.0,test,O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
550950,O=C(O)C[C@H]1CCc2c1[nH]c1c2cc(OCc2cc(C(F)(F)F)c(C3CCCC3)cc2)cc1,458.19375,[M+H]+,20.0,test,O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
550951,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,397.19215,[M-H]-,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550952,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,397.19215,[M-H]-,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550953,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,397.19215,[M-H]-,60.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550954,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,397.19215,[M-H]-,30.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550955,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,397.19215,[M-H]-,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550956,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,443.19763,[M+FA]-,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550957,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,443.19763,[M+FA]-,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550958,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,443.19763,[M+FA]-,60.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550959,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,443.19763,[M+FA]-,15.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550960,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,443.19763,[M+FA]-,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550961,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,399.2067,[M+H]+,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550962,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,399.2067,[M+H]+,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550963,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,399.2067,[M+H]+,60.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550964,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,399.2067,[M+H]+,15.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550965,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)NC(=O)C2,399.2067,[M+H]+,20.0,test,CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
550966,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1,399.2067,[M+H]+,20.0,test,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
550967,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1,399.2067,[M+H]+,20.0,test,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
550968,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1,399.2067,[M+H]+,60.0,test,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
550969,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1,399.2067,[M+H]+,30.0,test,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
550970,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1,399.2067,[M+H]+,20.0,test,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
550971,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1,399.2067,[M+H]+,60.0,test,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
550972,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1,399.2067,[M+H]+,30.0,test,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
550973,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1,399.2067,[M+H]+,20.0,test,COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
550974,CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)[nH]2)n(CCC)c1=O,485.19428,[M-H]-,20.0,test,CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O
550975,CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)[nH]2)n(CCC)c1=O,485.19428,[M-H]-,20.0,test,CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O
550976,CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)[nH]2)n(CCC)c1=O,485.19428,[M-H]-,60.0,test,CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O
550977,CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)[nH]2)n(CCC)c1=O,485.19428,[M-H]-,30.0,test,CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O
550978,CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)[nH]2)n(CCC)c1=O,485.19428,[M-H]-,20.0,test,CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O
550979,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,529.13515,[M-H]-,20.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550980,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,529.13515,[M-H]-,20.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550981,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,529.13515,[M-H]-,60.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550982,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,529.13515,[M-H]-,30.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550983,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,529.13515,[M-H]-,20.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550984,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,529.13515,[M-H]-,60.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550985,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,529.13515,[M-H]-,30.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550986,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,529.13515,[M-H]-,20.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550987,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,531.1497,[M+H]+,20.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550988,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,531.1497,[M+H]+,20.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550989,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,531.1497,[M+H]+,60.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550990,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,531.1497,[M+H]+,15.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550991,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,531.1497,[M+H]+,20.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550992,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,531.1497,[M+H]+,60.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550993,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,531.1497,[M+H]+,15.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550994,COc1c(O)cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2cc(O)c(O)cc2)cc1,531.1497,[M+H]+,20.0,test,COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc1O
550995,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,529.13515,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
550996,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,529.13515,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
550997,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,529.13515,[M-H]-,60.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
550998,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,529.13515,[M-H]-,30.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
550999,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,529.13515,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551000,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,529.13515,[M-H]-,60.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551001,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,529.13515,[M-H]-,30.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551002,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,529.13515,[M-H]-,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551003,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,513.13914,[M+H-H2O]+,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551004,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,513.13914,[M+H-H2O]+,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551005,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,513.13914,[M+H-H2O]+,60.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551006,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,513.13914,[M+H-H2O]+,30.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551007,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,513.13914,[M+H-H2O]+,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551008,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,513.13914,[M+H-H2O]+,30.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551009,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,513.13914,[M+H-H2O]+,60.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551010,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,513.13914,[M+H-H2O]+,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551011,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,531.1497,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551012,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,531.1497,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551013,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,531.1497,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551014,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,531.1497,[M+H]+,15.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551015,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,531.1497,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551016,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,531.1497,[M+H]+,60.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551017,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,531.1497,[M+H]+,20.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551018,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,531.1497,[M+H]+,15.0,test,COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
551019,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1,418.20128,[M+H]+,20.0,test,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1
551020,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1,418.20128,[M+H]+,20.0,test,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1
551021,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1,418.20128,[M+H]+,60.0,test,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1
551022,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1,418.20128,[M+H]+,20.0,test,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1
551023,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1,418.20128,[M+H]+,60.0,test,Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1
551024,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O,418.20128,[M+H]+,30.0,test,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O
551025,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O,418.20128,[M+H]+,30.0,test,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O
551026,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O,418.20128,[M+H]+,20.0,test,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O
551027,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O,418.20128,[M+H]+,60.0,test,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O
551028,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O,418.20128,[M+H]+,30.0,test,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2[nH]c1=O
551029,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551030,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551031,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551032,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551033,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551034,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551035,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551036,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551037,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551038,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551039,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551040,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551041,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551042,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551043,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551044,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551045,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551046,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551047,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551048,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551049,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551050,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551051,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551052,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551053,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551054,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551055,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551056,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551057,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551058,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551059,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551060,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551061,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551062,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551063,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551064,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,60.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551065,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,20.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551066,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,531.15604,[M+H]+,45.0,test,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551067,COc1c(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3CC(F)(F)F)ccc(N2CCN(C)CC2)c1,528.23293,[M+H]+,20.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F
551068,COc1c(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3CC(F)(F)F)ccc(N2CCN(C)CC2)c1,528.23293,[M+H]+,20.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F
551069,COc1c(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3CC(F)(F)F)ccc(N2CCN(C)CC2)c1,528.23293,[M+H]+,60.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F
551070,COc1c(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3CC(F)(F)F)ccc(N2CCN(C)CC2)c1,528.23293,[M+H]+,20.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F
551071,COc1c(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3CC(F)(F)F)ccc(N2CCN(C)CC2)c1,528.23293,[M+H]+,45.0,test,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F
551072,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,401.22235,[M+H]+,20.0,test,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
551073,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,401.22235,[M+H]+,20.0,test,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
551074,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,401.22235,[M+H]+,45.0,test,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
551075,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,401.22235,[M+H]+,60.0,test,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
551076,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,401.22235,[M+H]+,20.0,test,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
551077,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,401.22235,[M+H]+,45.0,test,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
551078,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,401.22235,[M+H]+,60.0,test,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
551079,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,401.22235,[M+H]+,20.0,test,O=C(OCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
551080,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,401.22235,[M+H]+,20.0,test,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
551081,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,401.22235,[M+H]+,20.0,test,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
551082,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,401.22235,[M+H]+,60.0,test,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
551083,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,401.22235,[M+H]+,30.0,test,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
551084,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,401.22235,[M+H]+,20.0,test,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
551085,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,401.22235,[M+H]+,60.0,test,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
551086,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,401.22235,[M+H]+,20.0,test,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
551087,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,401.22235,[M+H]+,30.0,test,COc1ccc(C(=O)CC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
551088,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,447.17479,[M-H]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551089,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,447.17479,[M-H]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551090,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,447.17479,[M-H]-,60.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551091,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,447.17479,[M-H]-,30.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551092,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,447.17479,[M-H]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551093,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,493.18027,[M+FA]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551094,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,493.18027,[M+FA]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551095,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,493.18027,[M+FA]-,60.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551096,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,493.18027,[M+FA]-,15.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551097,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,493.18027,[M+FA]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551098,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,493.18027,[M+FA]-,15.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551099,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,493.18027,[M+FA]-,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551100,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,493.18027,[M+FA]-,60.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551101,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,449.18934,[M+H]+,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551102,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,449.18934,[M+H]+,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551103,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,449.18934,[M+H]+,60.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551104,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,449.18934,[M+H]+,15.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551105,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,449.18934,[M+H]+,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551106,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,449.18934,[M+H]+,15.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551107,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,449.18934,[M+H]+,60.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551108,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1,449.18934,[M+H]+,20.0,test,O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1
551109,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,479.18238,[M-H]-,20.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551110,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,479.18238,[M-H]-,20.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551111,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,479.18238,[M-H]-,60.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551112,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,479.18238,[M-H]-,20.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551113,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,479.18238,[M-H]-,60.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551114,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,479.18238,[M-H]-,20.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551115,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,481.19693,[M+H]+,20.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551116,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,481.19693,[M+H]+,20.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551117,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,481.19693,[M+H]+,60.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551118,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,481.19693,[M+H]+,30.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551119,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,481.19693,[M+H]+,20.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551120,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,481.19693,[M+H]+,60.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551121,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,481.19693,[M+H]+,30.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551122,CC(=O)N1CCC2(CC1)CC(=O)c1c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)O2,481.19693,[M+H]+,20.0,test,CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1O2
551123,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1,457.23465,[M+H]+,20.0,test,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
551124,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1,457.23465,[M+H]+,20.0,test,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
551125,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1,457.23465,[M+H]+,60.0,test,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
551126,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1,457.23465,[M+H]+,30.0,test,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
551127,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1,457.23465,[M+H]+,20.0,test,CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
551128,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,455.2201,[M-H]-,20.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551129,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,455.2201,[M-H]-,20.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551130,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,455.2201,[M-H]-,60.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551131,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,455.2201,[M-H]-,20.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551132,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,455.2201,[M-H]-,45.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551133,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,457.23465,[M+H]+,20.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551134,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,457.23465,[M+H]+,20.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551135,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,457.23465,[M+H]+,30.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551136,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,457.23465,[M+H]+,60.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551137,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,457.23465,[M+H]+,20.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551138,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,457.23465,[M+H]+,45.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551139,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,457.23465,[M+H]+,60.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551140,O=C(CCCCCNC(=O)c1nccnc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,457.23465,[M+H]+,20.0,test,O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
551141,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,547.14571,[M-H]-,20.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551142,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,547.14571,[M-H]-,20.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551143,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,547.14571,[M-H]-,60.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551144,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,547.14571,[M-H]-,45.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551145,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,547.14571,[M-H]-,60.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551146,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,547.14571,[M-H]-,45.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551147,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,549.16027,[M+H]+,20.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551148,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,549.16027,[M+H]+,20.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551149,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,549.16027,[M+H]+,60.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551150,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,549.16027,[M+H]+,30.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551151,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,549.16027,[M+H]+,20.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551152,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,549.16027,[M+H]+,60.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551153,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,549.16027,[M+H]+,30.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551154,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,549.16027,[M+H]+,20.0,test,O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551155,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,547.14571,[M-H]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551156,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,547.14571,[M-H]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551157,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,547.14571,[M-H]-,45.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551158,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,547.14571,[M-H]-,60.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551159,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,547.14571,[M-H]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551160,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,547.14571,[M-H]-,45.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551161,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,547.14571,[M-H]-,60.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551162,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,547.14571,[M-H]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551163,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,583.12239,[M+Cl]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551164,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,583.12239,[M+Cl]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551165,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,583.12239,[M+Cl]-,60.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
551166,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,583.12239,[M+Cl]-,15.0,test,O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
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551248,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551249,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,563.14063,[M-H]-,45.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551250,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551251,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551252,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,563.14063,[M-H]-,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551253,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551254,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,563.14063,[M-H]-,45.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551255,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,609.14611,[M+FA]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551256,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,609.14611,[M+FA]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551257,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,609.14611,[M+FA]-,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551258,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,609.14611,[M+FA]-,15.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551259,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,609.14611,[M+FA]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551260,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,609.14611,[M+FA]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551261,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,609.14611,[M+FA]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551262,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,609.14611,[M+FA]-,60.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551263,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,609.14611,[M+FA]-,15.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551264,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,609.14611,[M+FA]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551265,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,563.14063,[M-H]-,20.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551266,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,563.14063,[M-H]-,20.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551267,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,563.14063,[M-H]-,60.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551268,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,563.14063,[M-H]-,15.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551269,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,563.14063,[M-H]-,20.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551270,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,563.14063,[M-H]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
551271,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,563.14063,[M-H]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
551272,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,563.14063,[M-H]-,60.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
551273,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,563.14063,[M-H]-,30.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
551274,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,563.14063,[M-H]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
551275,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551276,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551277,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,563.14063,[M-H]-,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551278,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551279,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,563.14063,[M-H]-,45.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
551280,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,563.14063,[M-H]-,20.0,test,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
551281,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,563.14063,[M-H]-,20.0,test,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
551282,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,563.14063,[M-H]-,60.0,test,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
551283,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,563.14063,[M-H]-,20.0,test,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
551284,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,563.14063,[M-H]-,45.0,test,CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
551285,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551286,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551287,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,563.14063,[M-H]-,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551288,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,563.14063,[M-H]-,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551289,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551290,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,563.14063,[M-H]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551291,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,563.14063,[M-H]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551292,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,563.14063,[M-H]-,60.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551293,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,563.14063,[M-H]-,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551294,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,563.14063,[M-H]-,45.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551295,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,565.15518,[M+H]+,20.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551296,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,565.15518,[M+H]+,20.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551297,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,565.15518,[M+H]+,60.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551298,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,565.15518,[M+H]+,15.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551299,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,565.15518,[M+H]+,20.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551300,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,565.15518,[M+H]+,60.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551301,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,565.15518,[M+H]+,15.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551302,O=C1c2ccccc2C(=O)c2c(O)c(CO)c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,565.15518,[M+H]+,20.0,test,O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O
551303,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551304,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551305,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551306,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551307,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551308,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551309,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551310,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(O)c2,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12
551311,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551312,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551313,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551314,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551315,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551316,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551317,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551318,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
551319,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551320,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551321,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,565.15518,[M+H]+,60.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551322,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,565.15518,[M+H]+,15.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551323,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551324,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,565.15518,[M+H]+,60.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551325,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,565.15518,[M+H]+,15.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551326,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
551327,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551328,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551329,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551330,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551331,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551332,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551333,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551334,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
551335,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551336,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551337,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,565.15518,[M+H]+,60.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551338,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,565.15518,[M+H]+,30.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551339,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
551340,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12,565.15518,[M+H]+,60.0,test,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)c(O)cc(O)c12
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551386,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,563.14063,[M-H]-,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551387,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551388,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,563.14063,[M-H]-,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551389,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,563.14063,[M-H]-,45.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551390,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,563.14063,[M-H]-,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551391,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551392,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551393,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551394,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551395,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,15.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551396,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551397,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551398,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551399,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551400,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551401,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
551402,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
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551405,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
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551407,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
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551409,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,565.15518,[M+H]+,15.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
551410,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
551411,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,565.15518,[M+H]+,30.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
551412,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
551413,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,565.15518,[M+H]+,60.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
551414,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,565.15518,[M+H]+,20.0,test,O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
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551433,O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1,452.2344,[M+H]+,60.0,test,O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
551434,O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1,452.2344,[M+H]+,30.0,test,O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
551435,O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1,452.2344,[M+H]+,20.0,test,O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
551436,NCc1ccc(-c2cc3c(OCC3)c(S(=O)(=O)Nc3c(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)scc3)c2)cc1,587.1741,[M+H]+,20.0,test,NCc1ccc(-c2cc3c(c(S(=O)(=O)Nc4ccsc4C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)c2)OCC3)cc1
551437,NCc1ccc(-c2cc3c(OCC3)c(S(=O)(=O)Nc3c(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)scc3)c2)cc1,587.1741,[M+H]+,20.0,test,NCc1ccc(-c2cc3c(c(S(=O)(=O)Nc4ccsc4C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)c2)OCC3)cc1
551438,NCc1ccc(-c2cc3c(OCC3)c(S(=O)(=O)Nc3c(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)scc3)c2)cc1,587.1741,[M+H]+,20.0,test,NCc1ccc(-c2cc3c(c(S(=O)(=O)Nc4ccsc4C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)c2)OCC3)cc1
551439,NCc1ccc(-c2cc3c(OCC3)c(S(=O)(=O)Nc3c(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)scc3)c2)cc1,587.1741,[M+H]+,45.0,test,NCc1ccc(-c2cc3c(c(S(=O)(=O)Nc4ccsc4C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)c2)OCC3)cc1
551440,NCc1ccc(-c2cc3c(OCC3)c(S(=O)(=O)Nc3c(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)scc3)c2)cc1,587.1741,[M+H]+,20.0,test,NCc1ccc(-c2cc3c(c(S(=O)(=O)Nc4ccsc4C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)c2)OCC3)cc1
551441,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,517.17154,[M-H]-,20.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551442,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,517.17154,[M-H]-,20.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551443,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,517.17154,[M-H]-,60.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551444,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,517.17154,[M-H]-,30.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551445,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,517.17154,[M-H]-,20.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551446,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,563.17701,[M+FA]-,20.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551447,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,563.17701,[M+FA]-,20.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551448,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,563.17701,[M+FA]-,60.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551449,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,563.17701,[M+FA]-,15.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551450,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,563.17701,[M+FA]-,20.0,test,CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
551451,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551452,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551453,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,60.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551454,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551455,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,45.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551456,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,60.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551457,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551458,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,45.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551459,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551460,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551461,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,60.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551462,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,20.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551463,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4c(Cl)cc(Cl)cc4)O3)cc2)CC1,532.18767,[M+H]+,45.0,test,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
551464,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1,467.22754,[M+H]+,20.0,test,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1
551465,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1,467.22754,[M+H]+,20.0,test,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1
551466,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1,467.22754,[M+H]+,60.0,test,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1
551467,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1,467.22754,[M+H]+,20.0,test,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1
551468,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1,467.22754,[M+H]+,45.0,test,O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCN1CCN(c2ccccc2)CC1
551469,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,483.21684,[M+Cl]-,20.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551470,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,493.24564,[M+FA]-,20.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551471,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,493.24564,[M+FA]-,60.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551472,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,493.24564,[M+FA]-,15.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551473,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,493.24564,[M+FA]-,20.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551474,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,493.24564,[M+FA]-,60.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551475,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,493.24564,[M+FA]-,15.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551476,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,493.24564,[M+FA]-,20.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551477,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,447.24016,[M-H]-,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551478,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,447.24016,[M-H]-,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551479,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,447.24016,[M-H]-,60.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551480,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,447.24016,[M-H]-,30.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551481,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,447.24016,[M-H]-,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551482,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,483.21684,[M+Cl]-,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551483,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,493.24564,[M+FA]-,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551484,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,493.24564,[M+FA]-,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551485,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,493.24564,[M+FA]-,60.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551486,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,493.24564,[M+FA]-,15.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551487,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,493.24564,[M+FA]-,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551488,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,493.24564,[M+FA]-,60.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551489,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,493.24564,[M+FA]-,15.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551490,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,493.24564,[M+FA]-,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551491,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,449.25472,[M+H]+,20.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551492,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,449.25472,[M+H]+,20.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551493,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,449.25472,[M+H]+,60.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551494,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,449.25472,[M+H]+,30.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551495,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,449.25472,[M+H]+,20.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551496,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,449.25472,[M+H]+,60.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551497,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,449.25472,[M+H]+,30.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551498,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1,449.25472,[M+H]+,20.0,test,NC(=O)CN1CCCN(C(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1
551499,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,449.25472,[M+H]+,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551500,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,449.25472,[M+H]+,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551501,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,449.25472,[M+H]+,60.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551502,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,449.25472,[M+H]+,15.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551503,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,449.25472,[M+H]+,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551504,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,449.25472,[M+H]+,60.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551505,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,449.25472,[M+H]+,15.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551506,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1,449.25472,[M+H]+,20.0,test,CC(NC(=O)N1CC(c2ccccc2)C2COCCC21)c1ccc(NC(=O)NC2CC2)cc1
551507,COc1c(Cn2nc(C)cc2C)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,449.25472,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
551508,COc1c(Cn2nc(C)cc2C)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,449.25472,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
551509,COc1c(Cn2nc(C)cc2C)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,449.25472,[M+H]+,60.0,test,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
551510,COc1c(Cn2nc(C)cc2C)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,449.25472,[M+H]+,30.0,test,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
551511,COc1c(Cn2nc(C)cc2C)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,449.25472,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
551512,COc1c(Cn2nc(C)cc2C)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,449.25472,[M+H]+,60.0,test,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
551513,COc1c(Cn2nc(C)cc2C)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,449.25472,[M+H]+,30.0,test,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
551514,COc1c(Cn2nc(C)cc2C)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,449.25472,[M+H]+,20.0,test,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
551515,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,447.24016,[M-H]-,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551516,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,447.24016,[M-H]-,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551517,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,447.24016,[M-H]-,60.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551518,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,447.24016,[M-H]-,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551519,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,447.24016,[M-H]-,60.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551520,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,483.21684,[M+Cl]-,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551521,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,483.21684,[M+Cl]-,15.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551522,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,493.24564,[M+FA]-,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551523,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,493.24564,[M+FA]-,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551524,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,493.24564,[M+FA]-,60.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551525,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,493.24564,[M+FA]-,15.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551526,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,493.24564,[M+FA]-,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551527,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,493.24564,[M+FA]-,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551528,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,493.24564,[M+FA]-,60.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551529,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,493.24564,[M+FA]-,15.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551530,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,449.25472,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551531,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,449.25472,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551532,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,449.25472,[M+H]+,60.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551533,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,449.25472,[M+H]+,30.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551534,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,449.25472,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551535,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,449.25472,[M+H]+,20.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551536,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,449.25472,[M+H]+,30.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551537,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1,449.25472,[M+H]+,60.0,test,Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(NC(=O)C(C)C)c4)C3)CC2)c1
551538,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,495.20715,[M-H]-,20.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551539,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,495.20715,[M-H]-,20.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551540,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,495.20715,[M-H]-,60.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551541,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,495.20715,[M-H]-,20.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551542,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,495.20715,[M-H]-,60.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551543,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,495.20715,[M-H]-,20.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551544,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,497.2217,[M+H]+,20.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551545,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,497.2217,[M+H]+,20.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551546,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,497.2217,[M+H]+,60.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551547,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,497.2217,[M+H]+,20.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551548,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,497.2217,[M+H]+,45.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551549,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,497.2217,[M+H]+,60.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551550,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,497.2217,[M+H]+,20.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551551,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,497.2217,[M+H]+,45.0,test,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
551552,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,503.25246,[M-H]-,20.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551553,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,503.25246,[M-H]-,20.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551554,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,503.25246,[M-H]-,60.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551555,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,503.25246,[M-H]-,20.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551556,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,503.25246,[M-H]-,45.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551557,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,505.26701,[M+H]+,20.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551558,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,505.26701,[M+H]+,20.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551559,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,505.26701,[M+H]+,60.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551560,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,505.26701,[M+H]+,20.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551561,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,505.26701,[M+H]+,45.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551562,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,505.26701,[M+H]+,60.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551563,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,505.26701,[M+H]+,20.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551564,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3c(C)c(C)c(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1,505.26701,[M+H]+,45.0,test,C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1
551565,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,437.24458,[M-H]-,45.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551566,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,437.24458,[M-H]-,45.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551567,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,437.24458,[M-H]-,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551568,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,437.24458,[M-H]-,60.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551569,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,437.24458,[M-H]-,45.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551570,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,483.25006,[M+FA]-,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551571,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,483.25006,[M+FA]-,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551572,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,483.25006,[M+FA]-,60.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551573,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,483.25006,[M+FA]-,15.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551574,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,483.25006,[M+FA]-,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551575,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,483.25006,[M+FA]-,60.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551576,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,483.25006,[M+FA]-,15.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551577,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,483.25006,[M+FA]-,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551578,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,437.24458,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551579,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,437.24458,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551580,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,437.24458,[M-H]-,60.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551581,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,437.24458,[M-H]-,30.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551582,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,437.24458,[M-H]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551583,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,473.22126,[M+Cl]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551584,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,473.22126,[M+Cl]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551585,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,473.22126,[M+Cl]-,60.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551586,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,473.22126,[M+Cl]-,15.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551587,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,473.22126,[M+Cl]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551588,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,483.25006,[M+FA]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551589,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,483.25006,[M+FA]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551590,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,483.25006,[M+FA]-,60.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551591,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,483.25006,[M+FA]-,15.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551592,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,483.25006,[M+FA]-,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551593,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,439.25913,[M+H]+,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551594,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,439.25913,[M+H]+,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551595,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,439.25913,[M+H]+,60.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551596,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,439.25913,[M+H]+,30.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551597,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,439.25913,[M+H]+,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551598,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,439.25913,[M+H]+,60.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551599,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,439.25913,[M+H]+,30.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551600,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1,439.25913,[M+H]+,20.0,test,COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1
551601,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,439.25913,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551602,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,439.25913,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551603,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,439.25913,[M+H]+,60.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551604,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,439.25913,[M+H]+,30.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551605,Cc1cc(OCC(=O)NC2CCCCC2NC(=O)COc2c(C)ccc(C)c2)c(C)cc1,439.25913,[M+H]+,20.0,test,Cc1ccc(C)c(OCC(=O)NC2CCCCC2NC(=O)COc2cc(C)ccc2C)c1
551606,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,537.19775,[M-H]-,20.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551607,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,537.19775,[M-H]-,20.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551608,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,537.19775,[M-H]-,60.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551609,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,537.19775,[M-H]-,15.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551610,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,537.19775,[M-H]-,20.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551611,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,583.20323,[M+FA]-,20.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551612,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,583.20323,[M+FA]-,20.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551613,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,583.20323,[M+FA]-,60.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551614,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,583.20323,[M+FA]-,15.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551615,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,583.20323,[M+FA]-,20.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551616,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,583.20323,[M+FA]-,20.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551617,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,583.20323,[M+FA]-,20.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551618,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,583.20323,[M+FA]-,60.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551619,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,583.20323,[M+FA]-,15.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551620,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,583.20323,[M+FA]-,20.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551621,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,537.19775,[M-H]-,20.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551622,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,537.19775,[M-H]-,20.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551623,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,537.19775,[M-H]-,60.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551624,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,537.19775,[M-H]-,30.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551625,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,583.20323,[M+FA]-,20.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551626,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,583.20323,[M+FA]-,20.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551627,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,583.20323,[M+FA]-,60.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
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551678,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,556.23885,[M+NH4]+,15.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551679,COc1c(O)ccc(C(O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)C2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
551680,COc1c(O)ccc(C[C@@]2(O)CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H]2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O
551681,COc1c(O)ccc(C[C@@]2(O)CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H]2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O
551682,COc1c(O)ccc(C[C@@]2(O)CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H]2CO)c1,556.23885,[M+NH4]+,60.0,test,COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O
551683,COc1c(O)ccc(C[C@@]2(O)CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H]2CO)c1,556.23885,[M+NH4]+,15.0,test,COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O
551684,COc1c(O)ccc(C[C@@]2(O)CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H]2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O
551685,COc1c(O)ccc(C[C@@]2(O)CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H]2CO)c1,556.23885,[M+NH4]+,60.0,test,COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O
551686,COc1c(O)ccc(C[C@@]2(O)CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H]2CO)c1,556.23885,[M+NH4]+,15.0,test,COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O
551687,COc1c(O)ccc(C[C@@]2(O)CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H]2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O
551688,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,556.23885,[M+NH4]+,20.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551689,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,556.23885,[M+NH4]+,20.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551690,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,556.23885,[M+NH4]+,60.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551691,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,556.23885,[M+NH4]+,15.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551692,COc1c(O)cc2c(c1)C[C@@](O)(CO)[C@H](CO)[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,556.23885,[M+NH4]+,20.0,test,COc1cc2c(cc1O)[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)[C@@H](CO)[C@](O)(CO)C2
551693,COc1c(O)cc2CC(O)(CO)C(CO)C(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)c2c1,556.23885,[M+NH4]+,20.0,test,COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
551694,COc1c(O)cc2CC(O)(CO)C(CO)C(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)c2c1,556.23885,[M+NH4]+,20.0,test,COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
551695,COc1c(O)cc2CC(O)(CO)C(CO)C(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)c2c1,556.23885,[M+NH4]+,60.0,test,COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
551696,COc1c(O)cc2CC(O)(CO)C(CO)C(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)c2c1,556.23885,[M+NH4]+,15.0,test,COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
551697,COc1c(O)cc2CC(O)(CO)C(CO)C(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)c2c1,556.23885,[M+NH4]+,20.0,test,COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
551698,COc1c(O)cc2CC(O)(CO)C(CO)C(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)c2c1,556.23885,[M+NH4]+,60.0,test,COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
551699,COc1c(O)cc2CC(O)(CO)C(CO)C(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)c2c1,556.23885,[M+NH4]+,15.0,test,COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
551700,COc1c(O)cc2CC(O)(CO)C(CO)C(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)cc3)c2c1,556.23885,[M+NH4]+,20.0,test,COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
551701,COc1c(O)ccc([C@H]2OC[C@](O)(Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O
551702,COc1c(O)ccc([C@H]2OC[C@](O)(Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O
551703,COc1c(O)ccc([C@H]2OC[C@](O)(Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]2CO)c1,556.23885,[M+NH4]+,60.0,test,COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O
551704,COc1c(O)ccc([C@H]2OC[C@](O)(Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]2CO)c1,556.23885,[M+NH4]+,15.0,test,COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O
551705,COc1c(O)ccc([C@H]2OC[C@](O)(Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O
551706,COc1c(O)ccc([C@H]2OC[C@](O)(Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]2CO)c1,556.23885,[M+NH4]+,60.0,test,COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O
551707,COc1c(O)ccc([C@H]2OC[C@](O)(Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]2CO)c1,556.23885,[M+NH4]+,15.0,test,COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O
551708,COc1c(O)ccc([C@H]2OC[C@](O)(Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]2CO)c1,556.23885,[M+NH4]+,20.0,test,COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O
551709,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,556.23885,[M+NH4]+,20.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551710,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,556.23885,[M+NH4]+,20.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551711,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,556.23885,[M+NH4]+,60.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551712,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,556.23885,[M+NH4]+,15.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551713,COc1c(O)cc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2c(OC)cc(/C=C/CO)cc2)cc1,556.23885,[M+NH4]+,20.0,test,COc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
551714,Oc1cc2c(c(O)c1)-c1c(O)cc(cc1O)CCCC=CCCCCCCCCC2,409.23843,[M-H]-,20.0,test,Oc1cc(O)c2c(c1)CCCCCCCCCC=CCCCc1cc(O)c-2c(O)c1
551715,Oc1cc2c(c(O)c1)-c1c(O)cc(cc1O)CCCC=CCCCCCCCCC2,409.23843,[M-H]-,20.0,test,Oc1cc(O)c2c(c1)CCCCCCCCCC=CCCCc1cc(O)c-2c(O)c1
551716,Oc1cc2c(c(O)c1)-c1c(O)cc(cc1O)CCCC=CCCCCCCCCC2,409.23843,[M-H]-,60.0,test,Oc1cc(O)c2c(c1)CCCCCCCCCC=CCCCc1cc(O)c-2c(O)c1
551717,Oc1cc2c(c(O)c1)-c1c(O)cc(cc1O)CCCC=CCCCCCCCCC2,409.23843,[M-H]-,20.0,test,Oc1cc(O)c2c(c1)CCCCCCCCCC=CCCCc1cc(O)c-2c(O)c1
551718,Oc1cc2c(c(O)c1)-c1c(O)cc(cc1O)CCCC=CCCCCCCCCC2,409.23843,[M-H]-,45.0,test,Oc1cc(O)c2c(c1)CCCCCCCCCC=CCCCc1cc(O)c-2c(O)c1
551719,Oc1cc2c(c(O)c1)-c1c(O)cc(cc1O)CCCC=CCCCCCCCCC2,409.23843,[M-H]-,60.0,test,Oc1cc(O)c2c(c1)CCCCCCCCCC=CCCCc1cc(O)c-2c(O)c1
551720,Oc1cc2c(c(O)c1)-c1c(O)cc(cc1O)CCCC=CCCCCCCCCC2,409.23843,[M-H]-,20.0,test,Oc1cc(O)c2c(c1)CCCCCCCCCC=CCCCc1cc(O)c-2c(O)c1
551721,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551722,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551723,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,15.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551724,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,60.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551725,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,30.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551726,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551727,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,60.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551728,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551729,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551730,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551731,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,60.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551732,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,30.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551733,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551734,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,60.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551735,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,30.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551736,COc1c(OC)cc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1,457.2697,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
551737,CC(=O)OC1C(O)CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2CCC3C(=O)OC(c4cocc4)CC3(C)C21,585.21888,[M+FA]-,20.0,test,CC(=O)OC1C(O)CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2CCC3C(=O)OC(c4ccoc4)CC3(C)C21
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551785,CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21,392.30602,[M]+,20.0,test,CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21
551786,CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21,392.30602,[M]+,60.0,test,CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21
551787,CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21,392.30602,[M]+,20.0,test,CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21
551788,CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21,392.30602,[M]+,60.0,test,CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21
551789,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,495.30891,[M+FA]-,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
551790,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,495.30891,[M+FA]-,15.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
551791,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,495.30891,[M+FA]-,15.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
551792,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,495.30891,[M+FA]-,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
551793,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,495.30891,[M+FA]-,60.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
551794,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,451.31799,[M+H]+,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
551795,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,451.31799,[M+H]+,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
551796,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,451.31799,[M+H]+,45.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
551797,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,451.31799,[M+H]+,60.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
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551799,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,451.31799,[M+H]+,60.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
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551801,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1,451.31799,[M+H]+,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1
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551810,C/C(=C\CO)CC/C=C(\C)C(=O)O[C@H]1[C@H](OC2OC=C(C(=O)O)C3CCC(C)(O)C23)O[C@H](CO)[C@@H](O)[C@@H]1O,541.22905,[M-H]-,20.0,test,C/C(=C\CO)CC/C=C(\C)C(=O)O[C@H]1[C@H](OC2OC=C(C(=O)O)C3CCC(C)(O)C23)O[C@H](CO)[C@@H](O)[C@@H]1O
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551814,C/C(=C\CO)CC/C=C(\C)C(=O)O[C@H]1[C@H](OC2OC=C(C(=O)O)C3CCC(C)(O)C23)O[C@H](CO)[C@@H](O)[C@@H]1O,541.22905,[M-H]-,20.0,test,C/C(=C\CO)CC/C=C(\C)C(=O)O[C@H]1[C@H](OC2OC=C(C(=O)O)C3CCC(C)(O)C23)O[C@H](CO)[C@@H](O)[C@@H]1O
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551819,C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H]3C[C@@H](C(C)CO)[C@H](COC(=O)C[C@H]21)[C@H]3C,560.27015,[M+NH4]+,20.0,test,C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H]3C[C@@H](C(C)CO)[C@H](COC(=O)C[C@H]21)[C@H]3C
551820,C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H]3C[C@@H](C(C)CO)[C@H](COC(=O)C[C@H]21)[C@H]3C,560.27015,[M+NH4]+,60.0,test,C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H]3C[C@@H](C(C)CO)[C@H](COC(=O)C[C@H]21)[C@H]3C
551821,C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H]3C[C@@H](C(C)CO)[C@H](COC(=O)C[C@H]21)[C@H]3C,560.27015,[M+NH4]+,15.0,test,C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H]3C[C@@H](C(C)CO)[C@H](COC(=O)C[C@H]21)[C@H]3C
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551938,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,448.30575,[M+H-H2O]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551939,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,448.30575,[M+H-H2O]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551940,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,448.30575,[M+H-H2O]+,60.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551941,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,448.30575,[M+H-H2O]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551942,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,448.30575,[M+H-H2O]+,60.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551943,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,466.31631,[M+H]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551944,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,466.31631,[M+H]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551945,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,466.31631,[M+H]+,60.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551946,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,466.31631,[M+H]+,15.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551947,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,466.31631,[M+H]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551948,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,466.31631,[M+H]+,60.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551949,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,466.31631,[M+H]+,15.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551950,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,466.31631,[M+H]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
551951,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O,466.31631,[M+H]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O
551952,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O,466.31631,[M+H]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O
551953,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O,466.31631,[M+H]+,60.0,test,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O
551954,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O,466.31631,[M+H]+,15.0,test,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O
551955,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O,466.31631,[M+H]+,20.0,test,C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O
551956,CCOc1cc2c(cc1)c(-c1cc(F)ccc1)nn(CC(=O)N(C)c1cc3c(cc1)nc(C)o3)c2=O,487.17761,[M+H]+,20.0,test,CCOc1ccc2c(-c3cccc(F)c3)nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1
551957,CCOc1cc2c(cc1)c(-c1cc(F)ccc1)nn(CC(=O)N(C)c1cc3c(cc1)nc(C)o3)c2=O,487.17761,[M+H]+,20.0,test,CCOc1ccc2c(-c3cccc(F)c3)nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1
551958,CCOc1cc2c(cc1)c(-c1cc(F)ccc1)nn(CC(=O)N(C)c1cc3c(cc1)nc(C)o3)c2=O,487.17761,[M+H]+,60.0,test,CCOc1ccc2c(-c3cccc(F)c3)nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1
551959,CCOc1cc2c(cc1)c(-c1cc(F)ccc1)nn(CC(=O)N(C)c1cc3c(cc1)nc(C)o3)c2=O,487.17761,[M+H]+,30.0,test,CCOc1ccc2c(-c3cccc(F)c3)nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1
551960,CCOc1cc2c(cc1)c(-c1cc(F)ccc1)nn(CC(=O)N(C)c1cc3c(cc1)nc(C)o3)c2=O,487.17761,[M+H]+,20.0,test,CCOc1ccc2c(-c3cccc(F)c3)nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1
551961,COc1c(OC)c2c[n+]3c(-c4cc5c(cc4CC3)OCO5)c(Cc3ccccc3F)c2cc1,444.16056,[M]+,20.0,test,COc1ccc2c(Cc3ccccc3F)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
551962,COc1c(OC)c2c[n+]3c(-c4cc5c(cc4CC3)OCO5)c(Cc3ccccc3F)c2cc1,444.16056,[M]+,20.0,test,COc1ccc2c(Cc3ccccc3F)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
551963,COc1c(OC)c2c[n+]3c(-c4cc5c(cc4CC3)OCO5)c(Cc3ccccc3F)c2cc1,444.16056,[M]+,60.0,test,COc1ccc2c(Cc3ccccc3F)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
551964,COc1c(OC)c2c[n+]3c(-c4cc5c(cc4CC3)OCO5)c(Cc3ccccc3F)c2cc1,444.16056,[M]+,45.0,test,COc1ccc2c(Cc3ccccc3F)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
551965,COc1c(OC)c2c[n+]3c(-c4cc5c(cc4CC3)OCO5)c(Cc3ccccc3F)c2cc1,444.16056,[M]+,60.0,test,COc1ccc2c(Cc3ccccc3F)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
551966,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,560.17265,[M-H]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551967,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,560.17265,[M-H]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551968,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,560.17265,[M-H]-,60.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551969,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,560.17265,[M-H]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551970,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,560.17265,[M-H]-,45.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551971,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,560.17265,[M-H]-,60.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551972,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,560.17265,[M-H]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551973,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,560.17265,[M-H]-,45.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551974,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,596.14933,[M+Cl]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551975,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,596.14933,[M+Cl]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551976,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,596.14933,[M+Cl]-,60.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551977,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,596.14933,[M+Cl]-,15.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551978,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,596.14933,[M+Cl]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551979,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,606.17813,[M+FA]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551980,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,606.17813,[M+FA]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551981,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,606.17813,[M+FA]-,60.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551982,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,606.17813,[M+FA]-,15.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551983,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,606.17813,[M+FA]-,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551984,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,562.18721,[M+H]+,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551985,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,562.18721,[M+H]+,20.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551986,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,562.18721,[M+H]+,60.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551987,COc1c(F)c(F)c(Oc2nn3c(-c4cc(C)c(C(=O)NC5CC5)cc4)cnc3c(NCCC(F)(F)F)c2)cc1,562.18721,[M+H]+,60.0,test,COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
551988,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,456.17289,[M-H]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551989,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,456.17289,[M-H]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551990,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,456.17289,[M-H]-,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551991,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,456.17289,[M-H]-,15.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551992,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,456.17289,[M-H]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551993,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,492.14957,[M+Cl]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551994,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,492.14957,[M+Cl]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551995,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,492.14957,[M+Cl]-,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551996,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,492.14957,[M+Cl]-,15.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551997,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,492.14957,[M+Cl]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551998,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,502.17837,[M+FA]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
551999,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,502.17837,[M+FA]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552000,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,502.17837,[M+FA]-,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552001,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,502.17837,[M+FA]-,15.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552002,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,502.17837,[M+FA]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552003,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,502.17837,[M+FA]-,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552004,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,502.17837,[M+FA]-,15.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552005,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,502.17837,[M+FA]-,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552006,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,458.18745,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552007,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,458.18745,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552008,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,458.18745,[M+H]+,45.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552009,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,458.18745,[M+H]+,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552010,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,458.18745,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552011,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,458.18745,[M+H]+,45.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552012,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,458.18745,[M+H]+,60.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552013,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1,458.18745,[M+H]+,20.0,test,COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCC(c1ccccc1)c1ccccc1
552014,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552015,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552016,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552017,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,30.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552018,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552019,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552020,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552021,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552022,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,30.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552023,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552024,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552025,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,30.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552026,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,455.16125,[M-H]-,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552027,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552028,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552029,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552030,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,15.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552031,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552032,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552033,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,15.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552034,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552035,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552036,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552037,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552038,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,15.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552039,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552040,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552041,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,15.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552042,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552043,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552044,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552045,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552046,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,15.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552047,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552048,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552049,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,15.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552050,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552051,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552052,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552053,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552054,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,15.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552055,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552056,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,60.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552057,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,15.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552058,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,457.1758,[M+H]+,20.0,test,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
552059,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,565.14638,[M+FA]-,20.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552060,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,565.14638,[M+FA]-,20.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552061,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,565.14638,[M+FA]-,60.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552062,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,565.14638,[M+FA]-,15.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552063,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,565.14638,[M+FA]-,20.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552064,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,503.1449,[M+H-H2O]+,20.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552065,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,503.1449,[M+H-H2O]+,20.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552066,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,503.1449,[M+H-H2O]+,60.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552067,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,503.1449,[M+H-H2O]+,30.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552068,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2cc3c(cc2)OCO3)c2cc3c(cc2)OCO3)CC1,503.1449,[M+H-H2O]+,20.0,test,O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
552069,Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)ccc1,456.17402,[M+H]+,20.0,test,Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1
552070,Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)ccc1,456.17402,[M+H]+,20.0,test,Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1
552071,Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)ccc1,456.17402,[M+H]+,60.0,test,Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1
552072,Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)ccc1,456.17402,[M+H]+,30.0,test,Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1
552073,Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)ccc1,456.17402,[M+H]+,20.0,test,Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1
552074,Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)ccc1,456.17402,[M+H]+,60.0,test,Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1
552075,Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)ccc1,456.17402,[M+H]+,30.0,test,Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1
552076,Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)ccc1,456.17402,[M+H]+,20.0,test,Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1
552077,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1,471.20268,[M+H]+,20.0,test,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1
552078,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1,471.20268,[M+H]+,20.0,test,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1
552079,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1,471.20268,[M+H]+,60.0,test,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1
552080,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1,471.20268,[M+H]+,30.0,test,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1
552081,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1,471.20268,[M+H]+,20.0,test,COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1
552082,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,498.17337,[M-H]-,20.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552083,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,498.17337,[M-H]-,20.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552084,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,498.17337,[M-H]-,60.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552085,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,498.17337,[M-H]-,30.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552086,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,498.17337,[M-H]-,20.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552087,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,498.17337,[M-H]-,60.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552088,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,498.17337,[M-H]-,30.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552089,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,498.17337,[M-H]-,20.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552090,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,500.18792,[M+H]+,20.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552091,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,500.18792,[M+H]+,20.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552092,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,500.18792,[M+H]+,60.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552093,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,500.18792,[M+H]+,30.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552094,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1,500.18792,[M+H]+,20.0,test,CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1
552095,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C\c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,20.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
552096,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C\c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,20.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
552097,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C\c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,60.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
552098,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C\c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,15.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
552099,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C\c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,20.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
552100,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C\c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,60.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
552101,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C\c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,15.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
552102,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C\c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,20.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
552103,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C/c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,20.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C/c4ccc(C(C)(C)O)cc4)ccc32)cc1
552104,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C/c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,20.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C/c4ccc(C(C)(C)O)cc4)ccc32)cc1
552105,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C/c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,60.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C/c4ccc(C(C)(C)O)cc4)ccc32)cc1
552106,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C/c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,20.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C/c4ccc(C(C)(C)O)cc4)ccc32)cc1
552107,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C/c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,45.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C/c4ccc(C(C)(C)O)cc4)ccc32)cc1
552108,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C/c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,60.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C/c4ccc(C(C)(C)O)cc4)ccc32)cc1
552109,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C/c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,20.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C/c4ccc(C(C)(C)O)cc4)ccc32)cc1
552110,CC(C)Oc1ccc(-n2cnc3c2ccc(/C=C/c2ccc(C(C)(C)O)cc2)c3)cc1,413.22235,[M+H]+,45.0,test,CC(C)Oc1ccc(-n2cnc3cc(/C=C/c4ccc(C(C)(C)O)cc4)ccc32)cc1
552111,CN(C)Cc1cc(N=C(c2ccccc2)c2c(O)[nH]c3c2ccc(C(=O)N(C)C)c3)ccc1,441.2285,[M+H]+,20.0,test,CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1
552112,CN(C)Cc1cc(N=C(c2ccccc2)c2c(O)[nH]c3c2ccc(C(=O)N(C)C)c3)ccc1,441.2285,[M+H]+,20.0,test,CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1
552113,CN(C)Cc1cc(N=C(c2ccccc2)c2c(O)[nH]c3c2ccc(C(=O)N(C)C)c3)ccc1,441.2285,[M+H]+,60.0,test,CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1
552114,CN(C)Cc1cc(N=C(c2ccccc2)c2c(O)[nH]c3c2ccc(C(=O)N(C)C)c3)ccc1,441.2285,[M+H]+,30.0,test,CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1
552115,CN(C)Cc1cc(N=C(c2ccccc2)c2c(O)[nH]c3c2ccc(C(=O)N(C)C)c3)ccc1,441.2285,[M+H]+,20.0,test,CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1
552116,CN(C)Cc1cc(N=C(c2ccccc2)c2c(O)[nH]c3c2ccc(C(=O)N(C)C)c3)ccc1,441.2285,[M+H]+,30.0,test,CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1
552117,CN(C)Cc1cc(N=C(c2ccccc2)c2c(O)[nH]c3c2ccc(C(=O)N(C)C)c3)ccc1,441.2285,[M+H]+,20.0,test,CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1
552118,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,439.21395,[M-H]-,30.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552119,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,439.21395,[M-H]-,30.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552120,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,439.21395,[M-H]-,20.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552121,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,439.21395,[M-H]-,60.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552122,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,439.21395,[M-H]-,30.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552123,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,485.21943,[M+FA]-,20.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552124,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,485.21943,[M+FA]-,20.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552125,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,485.21943,[M+FA]-,60.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552126,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,485.21943,[M+FA]-,15.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552127,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,485.21943,[M+FA]-,20.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552128,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,485.21943,[M+FA]-,60.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552129,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,485.21943,[M+FA]-,15.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552130,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,485.21943,[M+FA]-,20.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552131,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,441.2285,[M+H]+,20.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552132,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,441.2285,[M+H]+,20.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552133,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,441.2285,[M+H]+,60.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552134,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,441.2285,[M+H]+,15.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552135,C=CC(C)(C)c1c(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)c2ccccc2[nH]1,441.2285,[M+H]+,20.0,test,C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
552136,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1,441.2285,[M+H]+,20.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
552137,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1,441.2285,[M+H]+,20.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
552138,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1,441.2285,[M+H]+,30.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
552139,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1,441.2285,[M+H]+,60.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
552140,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1,441.2285,[M+H]+,15.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
552141,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1,441.2285,[M+H]+,20.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
552142,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1,441.2285,[M+H]+,20.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
552143,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1,441.2285,[M+H]+,60.0,test,O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
552144,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cnccc2)c1,521.18532,[M+H]+,20.0,test,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
552145,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cnccc2)c1,521.18532,[M+H]+,20.0,test,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
552146,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cnccc2)c1,521.18532,[M+H]+,60.0,test,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
552147,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cnccc2)c1,521.18532,[M+H]+,30.0,test,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
552148,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cnccc2)c1,521.18532,[M+H]+,20.0,test,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
552149,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cnccc2)c1,521.18532,[M+H]+,60.0,test,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
552150,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cnccc2)c1,521.18532,[M+H]+,30.0,test,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
552151,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cnccc2)c1,521.18532,[M+H]+,20.0,test,CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
552152,COc1c2c(O)ccc(C3OC(C)C(O)C(C)(O)C3O)c2c2oc(=O)c3c(c(OC)cc(C)c3)c2c1,497.18061,[M+H]+,20.0,test,COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(C3OC(C)C(O)C(C)(O)C3O)ccc(O)c12
552153,COc1c2c(O)ccc(C3OC(C)C(O)C(C)(O)C3O)c2c2oc(=O)c3c(c(OC)cc(C)c3)c2c1,497.18061,[M+H]+,20.0,test,COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(C3OC(C)C(O)C(C)(O)C3O)ccc(O)c12
552154,COc1c2c(O)ccc(C3OC(C)C(O)C(C)(O)C3O)c2c2oc(=O)c3c(c(OC)cc(C)c3)c2c1,497.18061,[M+H]+,60.0,test,COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(C3OC(C)C(O)C(C)(O)C3O)ccc(O)c12
552155,COc1c2c(O)ccc(C3OC(C)C(O)C(C)(O)C3O)c2c2oc(=O)c3c(c(OC)cc(C)c3)c2c1,497.18061,[M+H]+,15.0,test,COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(C3OC(C)C(O)C(C)(O)C3O)ccc(O)c12
552156,COc1c2c(O)ccc(C3OC(C)C(O)C(C)(O)C3O)c2c2oc(=O)c3c(c(OC)cc(C)c3)c2c1,497.18061,[M+H]+,20.0,test,COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(C3OC(C)C(O)C(C)(O)C3O)ccc(O)c12
552157,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552158,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552159,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,60.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552160,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552161,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,75.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552162,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,60.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552163,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552164,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,75.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552165,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,563.19055,[M+Cl]-,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552166,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,563.19055,[M+Cl]-,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552167,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,563.19055,[M+Cl]-,60.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552168,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,529.22842,[M+H]+,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552169,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,529.22842,[M+H]+,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552170,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,529.22842,[M+H]+,60.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552171,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,529.22842,[M+H]+,60.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552172,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,75.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552173,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,75.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552174,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552175,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,60.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552176,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,527.21387,[M-H]-,75.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552177,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,529.22842,[M+H]+,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552178,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,529.22842,[M+H]+,20.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552179,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,529.22842,[M+H]+,60.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552180,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3c(C(F)(F)F)ccc(C(F)(F)F)c3)CC[C@@H]12,529.22842,[M+H]+,60.0,test,C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
552181,CC1(C)CCC(C)(C)c2c1cc(/C=C/c1ccc(C(=O)O)cc1)c(Cn1cccn1)c2,415.238,[M+H]+,20.0,test,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
552182,CC1(C)CCC(C)(C)c2c1cc(/C=C/c1ccc(C(=O)O)cc1)c(Cn1cccn1)c2,415.238,[M+H]+,20.0,test,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
552183,CC1(C)CCC(C)(C)c2c1cc(/C=C/c1ccc(C(=O)O)cc1)c(Cn1cccn1)c2,415.238,[M+H]+,60.0,test,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
552184,CC1(C)CCC(C)(C)c2c1cc(/C=C/c1ccc(C(=O)O)cc1)c(Cn1cccn1)c2,415.238,[M+H]+,15.0,test,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
552185,CC1(C)CCC(C)(C)c2c1cc(/C=C/c1ccc(C(=O)O)cc1)c(Cn1cccn1)c2,415.238,[M+H]+,20.0,test,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
552186,CC1(C)CCC(C)(C)c2c1cc(/C=C/c1ccc(C(=O)O)cc1)c(Cn1cccn1)c2,415.238,[M+H]+,60.0,test,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
552187,CC1(C)CCC(C)(C)c2c1cc(/C=C/c1ccc(C(=O)O)cc1)c(Cn1cccn1)c2,415.238,[M+H]+,15.0,test,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
552188,CC1(C)CCC(C)(C)c2c1cc(/C=C/c1ccc(C(=O)O)cc1)c(Cn1cccn1)c2,415.238,[M+H]+,20.0,test,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
552189,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,415.238,[M+H]+,20.0,test,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
552190,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,415.238,[M+H]+,20.0,test,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
552191,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,415.238,[M+H]+,60.0,test,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
552192,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,415.238,[M+H]+,30.0,test,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
552193,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,415.238,[M+H]+,20.0,test,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
552194,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,443.24415,[M+H]+,20.0,test,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
552195,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,443.24415,[M+H]+,20.0,test,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
552196,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,443.24415,[M+H]+,60.0,test,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
552197,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,443.24415,[M+H]+,15.0,test,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
552198,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,443.24415,[M+H]+,20.0,test,O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
552199,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,20.0,test,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
552200,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,20.0,test,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
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552202,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,20.0,test,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
552203,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,45.0,test,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
552204,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,623.16176,[M+FA]-,15.0,test,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
552205,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,623.16176,[M+FA]-,15.0,test,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
552206,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,623.16176,[M+FA]-,60.0,test,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
552207,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552208,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552209,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,60.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552210,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,30.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552211,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552212,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,60.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552213,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,30.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552214,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,577.15628,[M-H]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552215,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,613.13296,[M+Cl]-,15.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552216,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,613.13296,[M+Cl]-,15.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552217,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,613.13296,[M+Cl]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552218,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,613.13296,[M+Cl]-,60.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552219,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,613.13296,[M+Cl]-,15.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552220,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,623.16176,[M+FA]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
552221,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,623.16176,[M+FA]-,20.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
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552223,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,623.16176,[M+FA]-,15.0,test,C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
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552426,C[C@@H]1O[C@@H](c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,579.17083,[M+H]+,20.0,test,C[C@@H]1O[C@@H](c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O
552427,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552428,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552429,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,60.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552430,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,30.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552431,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552432,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552433,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552434,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,60.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552435,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,30.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552436,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552437,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,60.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552438,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,30.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552439,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552440,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552441,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552442,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,60.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552443,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,30.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552444,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552445,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,60.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552446,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,30.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552447,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,500.2238,[M-H]-,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552448,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552449,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552450,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,60.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552451,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,30.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552452,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,502.23836,[M+H]+,20.0,test,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
552453,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,536.2337,[M+FA]-,20.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552454,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,536.2337,[M+FA]-,20.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552455,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,536.2337,[M+FA]-,60.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552456,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,536.2337,[M+FA]-,15.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552457,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,536.2337,[M+FA]-,20.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552458,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,536.2337,[M+FA]-,60.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552459,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,536.2337,[M+FA]-,15.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552460,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,536.2337,[M+FA]-,20.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552461,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,492.24277,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552462,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,492.24277,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552463,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,492.24277,[M+H]+,60.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552464,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,492.24277,[M+H]+,30.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552465,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,492.24277,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552466,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,492.24277,[M+H]+,30.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552467,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,492.24277,[M+H]+,20.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552468,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1,492.24277,[M+H]+,60.0,test,COc1ccccc1N1CCN(c2cc(SCC(=O)NC(C)CCc3ccccc3)ncn2)CC1
552469,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,474.25106,[M-H]-,20.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552470,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,474.25106,[M-H]-,20.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552471,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,474.25106,[M-H]-,60.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552472,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,474.25106,[M-H]-,20.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552473,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,474.25106,[M-H]-,45.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552474,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,520.25654,[M+FA]-,20.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552475,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,520.25654,[M+FA]-,20.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552476,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,520.25654,[M+FA]-,60.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552477,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,520.25654,[M+FA]-,15.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552478,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,520.25654,[M+FA]-,20.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552479,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,476.26562,[M+H]+,45.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552480,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,476.26562,[M+H]+,45.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552481,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,476.26562,[M+H]+,20.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552482,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,476.26562,[M+H]+,60.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552483,O=C(CN1CCCCCC1)Nc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1,476.26562,[M+H]+,45.0,test,O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
552484,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2c(C)ccc(C(=O)NC3CC3)c2)c1=O,476.26562,[M+H]+,20.0,test,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O
552485,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2c(C)ccc(C(=O)NC3CC3)c2)c1=O,476.26562,[M+H]+,20.0,test,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O
552486,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2c(C)ccc(C(=O)NC3CC3)c2)c1=O,476.26562,[M+H]+,60.0,test,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O
552487,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2c(C)ccc(C(=O)NC3CC3)c2)c1=O,476.26562,[M+H]+,15.0,test,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O
552488,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2c(C)ccc(C(=O)NC3CC3)c2)c1=O,476.26562,[M+H]+,20.0,test,CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O
552489,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,470.1926,[M-H]-,20.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552490,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,470.1926,[M-H]-,20.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552491,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,470.1926,[M-H]-,60.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552492,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,470.1926,[M-H]-,30.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552493,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,470.1926,[M-H]-,20.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552494,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,470.1926,[M-H]-,60.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552495,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,470.1926,[M-H]-,30.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552496,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,470.1926,[M-H]-,20.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552497,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,472.20715,[M+H]+,20.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552498,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,472.20715,[M+H]+,20.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552499,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,472.20715,[M+H]+,60.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552500,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,472.20715,[M+H]+,15.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552501,CC(C)c1cc2c(cc1)n(Cc1ccc(Cl)cc1)c(CC(C)(C)C(=O)O)c2SC(C)(C)C,472.20715,[M+H]+,20.0,test,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
552502,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552503,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552504,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,60.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552505,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552506,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,45.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552507,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552508,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552509,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,60.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552510,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552511,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,45.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552512,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,60.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552513,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,20.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552514,COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc(F)c(C(=O)NC2CCN(C)CC2)c1,562.2748,[M+H]+,45.0,test,COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
552515,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,463.26023,[M+FA]-,15.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552516,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,463.26023,[M+FA]-,20.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552517,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,419.2693,[M+H]+,20.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552518,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,419.2693,[M+H]+,20.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552519,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,419.2693,[M+H]+,60.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552520,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,419.2693,[M+H]+,15.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552521,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,419.2693,[M+H]+,20.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552522,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,419.2693,[M+H]+,60.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552523,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,419.2693,[M+H]+,15.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552524,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2,419.2693,[M+H]+,20.0,test,CC(C)CN1C(=O)c2ccccc2C(C(=O)NCCc2ccccc2)C12CCCCC2
552525,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1,579.2685,[M+FA]-,20.0,test,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1
552526,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1,579.2685,[M+FA]-,20.0,test,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1
552527,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1,579.2685,[M+FA]-,15.0,test,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1
552528,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1,579.2685,[M+FA]-,20.0,test,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1
552529,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1,535.27758,[M+H]+,20.0,test,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1
552530,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1,535.27758,[M+H]+,20.0,test,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1
552531,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1,535.27758,[M+H]+,60.0,test,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1
552532,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1,535.27758,[M+H]+,45.0,test,COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1
552533,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552534,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552535,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552536,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,15.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552537,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552538,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552539,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,15.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552540,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552541,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,569.17951,[M+Cl]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552542,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,569.17951,[M+Cl]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552543,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552544,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552545,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552546,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,15.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552547,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552548,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552549,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,15.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552550,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552551,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552552,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552553,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,60.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
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552557,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
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552559,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
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552562,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
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552565,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552566,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552567,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,60.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552568,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,15.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552569,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552570,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552571,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552572,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552573,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,15.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552574,COc1c(OC)cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552575,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC
552576,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC
552577,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC
552578,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)cc2)cc1,579.20831,[M+FA]-,15.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC
552579,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC
552580,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552581,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552582,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552583,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,15.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552584,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552585,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,60.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552586,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,15.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552587,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,579.20831,[M+FA]-,20.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552588,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552589,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552590,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,60.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552591,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,15.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552592,COc1c(OC)cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
552593,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC
552594,COc1c(OC)cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)cc2)cc1,552.24393,[M+NH4]+,20.0,test,COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC
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552637,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,583.20213,[M+H]+,20.0,test,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
552638,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,583.20213,[M+H]+,60.0,test,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
552639,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,583.20213,[M+H]+,15.0,test,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
552640,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,583.20213,[M+H]+,20.0,test,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
552641,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,583.20213,[M+H]+,60.0,test,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
552642,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,583.20213,[M+H]+,15.0,test,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
552643,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,583.20213,[M+H]+,20.0,test,O=C(CCc1ccccc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
552644,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,627.19306,[M+FA]-,20.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552645,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,627.19306,[M+FA]-,20.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552646,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,627.19306,[M+FA]-,60.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552647,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,627.19306,[M+FA]-,15.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552648,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,627.19306,[M+FA]-,20.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552649,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,627.19306,[M+FA]-,60.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552650,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,627.19306,[M+FA]-,20.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552651,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,627.19306,[M+FA]-,15.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552652,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,600.22868,[M+NH4]+,20.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552653,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,600.22868,[M+NH4]+,20.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552654,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,600.22868,[M+NH4]+,60.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552655,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,600.22868,[M+NH4]+,15.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552656,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,600.22868,[M+NH4]+,20.0,test,COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
552657,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,434.2802,[M+H]+,20.0,test,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1
552658,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,434.2802,[M+H]+,20.0,test,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1
552659,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,434.2802,[M+H]+,60.0,test,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1
552660,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,434.2802,[M+H]+,20.0,test,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1
552661,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,434.2802,[M+H]+,45.0,test,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1
552662,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,434.2802,[M+H]+,60.0,test,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1
552663,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,434.2802,[M+H]+,20.0,test,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1
552664,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,434.2802,[M+H]+,45.0,test,O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1
552665,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,567.20831,[M-H]-,20.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552666,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,567.20831,[M-H]-,20.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552667,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,567.20831,[M-H]-,60.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552668,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,567.20831,[M-H]-,20.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552669,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,567.20831,[M-H]-,45.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552670,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,586.24941,[M+NH4]+,20.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552671,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,586.24941,[M+NH4]+,20.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552672,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,586.24941,[M+NH4]+,60.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552673,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,586.24941,[M+NH4]+,15.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552674,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,586.24941,[M+NH4]+,20.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552675,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,586.24941,[M+NH4]+,60.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552676,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,586.24941,[M+NH4]+,15.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552677,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,586.24941,[M+NH4]+,20.0,test,CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
552678,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552679,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552680,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552681,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552682,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552683,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552684,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552685,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552686,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552687,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552688,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552689,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552690,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552691,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552692,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552693,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552694,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552695,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552696,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552697,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552698,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552699,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552700,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552701,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552702,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552703,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552704,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552705,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552706,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552707,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552708,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552709,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552710,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552711,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,548.2425,[M+H]+,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552712,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552713,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552714,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552715,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,30.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552716,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552717,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552718,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552719,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552720,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552721,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552722,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,60.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552723,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,15.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552724,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552725,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552726,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552727,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,30.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552728,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,582.20462,[M+Cl]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
552729,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,592.23342,[M+FA]-,20.0,test,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
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552753,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,488.26538,[M-H]-,30.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552754,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,488.26538,[M-H]-,20.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552755,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,488.26538,[M-H]-,60.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552756,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,488.26538,[M-H]-,30.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552757,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,488.26538,[M-H]-,20.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552758,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,490.27993,[M+H]+,15.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552759,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,490.27993,[M+H]+,15.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552760,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,490.27993,[M+H]+,20.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552761,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,490.27993,[M+H]+,60.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552762,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,490.27993,[M+H]+,15.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552763,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,507.30648,[M+NH4]+,20.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552764,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,507.30648,[M+NH4]+,20.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552765,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,507.30648,[M+NH4]+,60.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552766,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,507.30648,[M+NH4]+,15.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552767,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,507.30648,[M+NH4]+,20.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552768,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,507.30648,[M+NH4]+,60.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552769,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,507.30648,[M+NH4]+,15.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
552770,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O,507.30648,[M+NH4]+,20.0,test,CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O
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552773,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,509.32456,[M+FA]-,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552774,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,509.32456,[M+FA]-,60.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552775,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,509.32456,[M+FA]-,15.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552776,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,509.32456,[M+FA]-,15.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552777,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,509.32456,[M+FA]-,60.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552778,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,509.32456,[M+FA]-,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552779,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,465.33364,[M+H]+,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552780,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,465.33364,[M+H]+,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552781,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,465.33364,[M+H]+,60.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552782,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,465.33364,[M+H]+,15.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552783,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,465.33364,[M+H]+,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552784,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,465.33364,[M+H]+,60.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552785,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1,465.33364,[M+H]+,20.0,test,CCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
552786,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21,377.2839,[M+H-2H2O]+,20.0,test,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21
552787,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21,377.2839,[M+H-2H2O]+,20.0,test,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21
552788,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21,377.2839,[M+H-2H2O]+,60.0,test,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21
552789,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21,377.2839,[M+H-2H2O]+,30.0,test,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21
552790,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21,377.2839,[M+H-2H2O]+,20.0,test,C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]21[C@@H]2CC3=C(C[C@@H](O)C[C@@H]3O)[C@@H]21
552791,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,412.32101,[M+H]+,20.0,test,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
552792,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,412.32101,[M+H]+,20.0,test,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
552793,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,412.32101,[M+H]+,45.0,test,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
552794,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,412.32101,[M+H]+,60.0,test,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
552795,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,412.32101,[M+H]+,20.0,test,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
552796,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,412.32101,[M+H]+,20.0,test,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
552797,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,412.32101,[M+H]+,60.0,test,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
552798,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,554.29707,[M+FA]-,20.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
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552801,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,554.29707,[M+FA]-,15.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
552802,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,554.29707,[M+FA]-,20.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
552803,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,510.30614,[M+H]+,20.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
552804,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,510.30614,[M+H]+,20.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
552805,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,510.30614,[M+H]+,60.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
552806,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,510.30614,[M+H]+,20.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
552807,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,510.30614,[M+H]+,60.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
552808,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O,510.30614,[M+H]+,20.0,test,C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC5(O)[C@@H](C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O
552809,COc1c(OCCOCCN(C)C)cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1,516.36566,[M+H]+,20.0,test,COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
552810,COc1c(OCCOCCN(C)C)cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1,516.36566,[M+H]+,20.0,test,COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
552811,COc1c(OCCOCCN(C)C)cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1,516.36566,[M+H]+,60.0,test,COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
552812,COc1c(OCCOCCN(C)C)cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1,516.36566,[M+H]+,20.0,test,COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
552813,COc1c(OCCOCCN(C)C)cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1,516.36566,[M+H]+,45.0,test,COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
552814,COc1c(OCCOCCN(C)C)cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1,516.36566,[M+H]+,60.0,test,COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
552815,COc1c(OCCOCCN(C)C)cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1,516.36566,[M+H]+,20.0,test,COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
552816,COc1c(OCCOCCN(C)C)cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1,516.36566,[M+H]+,45.0,test,COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
552817,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,367.33594,[M+H-2H2O]+,20.0,test,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
552818,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,367.33594,[M+H-2H2O]+,20.0,test,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
552819,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,367.33594,[M+H-2H2O]+,60.0,test,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
552820,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,367.33594,[M+H-2H2O]+,30.0,test,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
552821,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,367.33594,[M+H-2H2O]+,20.0,test,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
552822,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,559.31239,[M+FA]-,20.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552823,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,559.31239,[M+FA]-,20.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552824,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,559.31239,[M+FA]-,60.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552825,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,559.31239,[M+FA]-,15.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552826,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,559.31239,[M+FA]-,20.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552827,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,532.34801,[M+NH4]+,20.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552828,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,532.34801,[M+NH4]+,20.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552829,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,532.34801,[M+NH4]+,60.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552830,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,532.34801,[M+NH4]+,15.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552831,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O,532.34801,[M+NH4]+,20.0,test,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O
552832,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,481.14051,[M-H]-,20.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552833,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,481.14051,[M-H]-,20.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552834,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,481.14051,[M-H]-,60.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552835,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,481.14051,[M-H]-,30.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552836,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,481.14051,[M-H]-,20.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552837,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,483.15506,[M+H]+,20.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552838,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,483.15506,[M+H]+,20.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552839,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,483.15506,[M+H]+,60.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552840,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,483.15506,[M+H]+,30.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552841,O=C(COc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)NC(Cc1c[nH]c2ccccc12)C(=O)O,483.15506,[M+H]+,20.0,test,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
552842,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,551.1195,[M-H]-,20.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552843,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,551.1195,[M-H]-,20.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552844,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,551.1195,[M-H]-,60.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552845,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,551.1195,[M-H]-,30.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552846,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,551.1195,[M-H]-,20.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552847,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,570.1606,[M+NH4]+,20.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552848,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,570.1606,[M+NH4]+,20.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552849,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,570.1606,[M+NH4]+,60.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552850,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,570.1606,[M+NH4]+,15.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552851,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1,570.1606,[M+NH4]+,20.0,test,COC(=O)C1c2c(/C=C/C(=O)OC(Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2OC1c1ccc(O)c(O)c1
552852,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,515.1314,[M-H]-,20.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552853,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,515.1314,[M-H]-,20.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552854,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,515.1314,[M-H]-,60.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552855,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,515.1314,[M-H]-,20.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552856,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,515.1314,[M-H]-,45.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552857,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,517.14595,[M+H]+,20.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552858,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,517.14595,[M+H]+,20.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552859,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,517.14595,[M+H]+,60.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552860,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,517.14595,[M+H]+,15.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552861,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,517.14595,[M+H]+,20.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552862,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,517.14595,[M+H]+,60.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552863,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1,517.14595,[M+H]+,20.0,test,O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4Cl)CC3)n2)cc1
552864,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2c1cc(C(=O)O)cc2,470.16091,[M-H]-,20.0,test,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)O)cc12
552865,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2c1cc(C(=O)O)cc2,470.16091,[M-H]-,20.0,test,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)O)cc12
552866,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2c1cc(C(=O)O)cc2,470.16091,[M-H]-,60.0,test,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)O)cc12
552867,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2c1cc(C(=O)O)cc2,470.16091,[M-H]-,30.0,test,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)O)cc12
552868,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2c1cc(C(=O)O)cc2,470.16091,[M-H]-,20.0,test,CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)O)cc12
552869,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,470.16091,[M-H]-,20.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552870,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,470.16091,[M-H]-,20.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552871,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,470.16091,[M-H]-,60.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552872,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,470.16091,[M-H]-,20.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552873,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,470.16091,[M-H]-,60.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552874,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,470.16091,[M-H]-,20.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552875,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,470.16091,[M-H]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552876,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,470.16091,[M-H]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552877,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,470.16091,[M-H]-,60.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552878,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,470.16091,[M-H]-,15.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552879,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,470.16091,[M-H]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552880,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,516.16639,[M+FA]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552881,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,516.16639,[M+FA]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552882,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,516.16639,[M+FA]-,60.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552883,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,516.16639,[M+FA]-,15.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552884,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,516.16639,[M+FA]-,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552885,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,472.17546,[M+H]+,20.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552886,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,472.17546,[M+H]+,20.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552887,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,472.17546,[M+H]+,60.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552888,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,472.17546,[M+H]+,30.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552889,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,472.17546,[M+H]+,20.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552890,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,472.17546,[M+H]+,60.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552891,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,472.17546,[M+H]+,30.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552892,Cc1c(Cc2ccccc2)c(=O)oc2c1ccc(OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2,472.17546,[M+H]+,20.0,test,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12
552893,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,472.17546,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552894,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,472.17546,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552895,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,472.17546,[M+H]+,60.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552896,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,472.17546,[M+H]+,30.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552897,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2,472.17546,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
552898,Cc1ncc(-c2nn(-c3ccc(Nc4nccc(-c5cc(N6CCOCC6)ccc5)n4)cc3)cn2)cc1,491.23023,[M+H]+,20.0,test,Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1
552899,Cc1ncc(-c2nn(-c3ccc(Nc4nccc(-c5cc(N6CCOCC6)ccc5)n4)cc3)cn2)cc1,491.23023,[M+H]+,20.0,test,Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1
552900,Cc1ncc(-c2nn(-c3ccc(Nc4nccc(-c5cc(N6CCOCC6)ccc5)n4)cc3)cn2)cc1,491.23023,[M+H]+,60.0,test,Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1
552901,Cc1ncc(-c2nn(-c3ccc(Nc4nccc(-c5cc(N6CCOCC6)ccc5)n4)cc3)cn2)cc1,491.23023,[M+H]+,20.0,test,Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1
552902,Cc1ncc(-c2nn(-c3ccc(Nc4nccc(-c5cc(N6CCOCC6)ccc5)n4)cc3)cn2)cc1,491.23023,[M+H]+,60.0,test,Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1
552903,COc1c(OC)cc2CN(C(=O)/C=C/c3c(-c4ccccc4)n(C)c4c3cccn4)CCc2c1,454.21252,[M+H]+,20.0,test,COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2
552904,COc1c(OC)cc2CN(C(=O)/C=C/c3c(-c4ccccc4)n(C)c4c3cccn4)CCc2c1,454.21252,[M+H]+,20.0,test,COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2
552905,COc1c(OC)cc2CN(C(=O)/C=C/c3c(-c4ccccc4)n(C)c4c3cccn4)CCc2c1,454.21252,[M+H]+,60.0,test,COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2
552906,COc1c(OC)cc2CN(C(=O)/C=C/c3c(-c4ccccc4)n(C)c4c3cccn4)CCc2c1,454.21252,[M+H]+,20.0,test,COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2
552907,COc1c(OC)cc2CN(C(=O)/C=C/c3c(-c4ccccc4)n(C)c4c3cccn4)CCc2c1,454.21252,[M+H]+,45.0,test,COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2
552908,COc1c(OC)cc2CN(C(=O)/C=C/c3c(-c4ccccc4)n(C)c4c3cccn4)CCc2c1,454.21252,[M+H]+,60.0,test,COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2
552909,COc1c(OC)cc2CN(C(=O)/C=C/c3c(-c4ccccc4)n(C)c4c3cccn4)CCc2c1,454.21252,[M+H]+,20.0,test,COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2
552910,COc1c(OC)cc2CN(C(=O)/C=C/c3c(-c4ccccc4)n(C)c4c3cccn4)CCc2c1,454.21252,[M+H]+,45.0,test,COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2
552911,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,453.20524,[M]+,20.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552912,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,454.21252,[M+H]+,20.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552913,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,454.21252,[M+H]+,20.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552914,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,454.21252,[M+H]+,60.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552915,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,454.21252,[M+H]+,30.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552916,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,454.21252,[M+H]+,20.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552917,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,454.21252,[M+H]+,60.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552918,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,454.21252,[M+H]+,30.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552919,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1,454.21252,[M+H]+,20.0,test,CCOc1ccc(N2C(=O)C3C(c4ccccc4)N4CCCN4C3(c3ccccc3)C2=O)cc1
552920,CC(c1ccc(-c2cn3ncc(-c4ccc(S(N)(=O)=O)c5ccccc45)c3nc2)cc1)N1CCCC1,498.19582,[M+H]+,20.0,test,CC(c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1)N1CCCC1
552921,CC(c1ccc(-c2cn3ncc(-c4ccc(S(N)(=O)=O)c5ccccc45)c3nc2)cc1)N1CCCC1,498.19582,[M+H]+,20.0,test,CC(c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1)N1CCCC1
552922,CC(c1ccc(-c2cn3ncc(-c4ccc(S(N)(=O)=O)c5ccccc45)c3nc2)cc1)N1CCCC1,498.19582,[M+H]+,60.0,test,CC(c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1)N1CCCC1
552923,CC(c1ccc(-c2cn3ncc(-c4ccc(S(N)(=O)=O)c5ccccc45)c3nc2)cc1)N1CCCC1,498.19582,[M+H]+,30.0,test,CC(c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1)N1CCCC1
552924,CC(c1ccc(-c2cn3ncc(-c4ccc(S(N)(=O)=O)c5ccccc45)c3nc2)cc1)N1CCCC1,498.19582,[M+H]+,20.0,test,CC(c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1)N1CCCC1
552925,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,520.16447,[M-H]-,20.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552926,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,520.16447,[M-H]-,20.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552927,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,520.16447,[M-H]-,30.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552928,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,520.16447,[M-H]-,60.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552929,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,520.16447,[M-H]-,20.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552930,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,520.16447,[M-H]-,45.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552931,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,520.16447,[M-H]-,60.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552932,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,520.16447,[M-H]-,20.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552933,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,522.17903,[M+H]+,20.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552934,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,522.17903,[M+H]+,20.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552935,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,522.17903,[M+H]+,60.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552936,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,522.17903,[M+H]+,15.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552937,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,522.17903,[M+H]+,20.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552938,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,522.17903,[M+H]+,60.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552939,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,522.17903,[M+H]+,15.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552940,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c(C(=O)O)cc(Cl)cc1,522.17903,[M+H]+,20.0,test,O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)O
552941,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552942,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552943,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,60.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552944,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,30.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552945,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552946,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,60.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552947,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,30.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552948,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552949,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,533.21182,[M-H]-,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552950,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,533.21182,[M-H]-,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552951,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,533.21182,[M-H]-,60.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552952,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,533.21182,[M-H]-,45.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552953,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,569.1885,[M+Cl]-,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552954,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,569.1885,[M+Cl]-,60.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552955,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552956,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552957,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,60.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552958,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,30.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552959,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552960,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,60.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552961,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,30.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552962,N[C@@H]1c2c(nccc2)[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4c3cccn4)CC2)CC[C@H]1c1c(F)c(F)ccc1,535.22637,[M+H]+,20.0,test,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
552963,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,486.20344,[M-H]-,20.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552964,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,486.20344,[M-H]-,20.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552965,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,486.20344,[M-H]-,60.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552966,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,486.20344,[M-H]-,30.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552967,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,486.20344,[M-H]-,20.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552968,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,486.20344,[M-H]-,60.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552969,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,486.20344,[M-H]-,30.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552970,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,486.20344,[M-H]-,20.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552971,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,488.218,[M+H]+,20.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552972,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,488.218,[M+H]+,20.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552973,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,488.218,[M+H]+,60.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552974,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,488.218,[M+H]+,30.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552975,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,488.218,[M+H]+,20.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552976,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,488.218,[M+H]+,60.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552977,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,488.218,[M+H]+,30.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552978,COC(=O)c1c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cnccc3)C2c2ccc(C(C)C)cc2)c(C)[nH]1,488.218,[M+H]+,20.0,test,COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(C(C)C)cc2)c1C
552979,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1,484.21656,[M+H]+,20.0,test,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1
552980,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1,484.21656,[M+H]+,20.0,test,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1
552981,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1,484.21656,[M+H]+,60.0,test,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1
552982,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1,484.21656,[M+H]+,30.0,test,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1
552983,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1,484.21656,[M+H]+,20.0,test,O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1
552984,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552985,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552986,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,60.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552987,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552988,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,45.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552989,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,478.23608,[M-H]-,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552990,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,478.23608,[M-H]-,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552991,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,478.23608,[M-H]-,60.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552992,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,478.23608,[M-H]-,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552993,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,478.23608,[M-H]-,60.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552994,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552995,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552996,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,60.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552997,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,20.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552998,Cc1c(Nc2nccc(-c3cnccc3)n2)cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1,480.25063,[M+H]+,45.0,test,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
552999,CCN=c1cc2oc3c(cc(C)c(NCC)c3)c(-c3ccccc3C(=O)OCC)c-2cc1C,443.23292,[M+H]+,20.0,test,CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C
553000,CCN=c1cc2oc3c(cc(C)c(NCC)c3)c(-c3ccccc3C(=O)OCC)c-2cc1C,443.23292,[M+H]+,20.0,test,CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C
553001,CCN=c1cc2oc3c(cc(C)c(NCC)c3)c(-c3ccccc3C(=O)OCC)c-2cc1C,443.23292,[M+H]+,60.0,test,CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C
553002,CCN=c1cc2oc3c(cc(C)c(NCC)c3)c(-c3ccccc3C(=O)OCC)c-2cc1C,443.23292,[M+H]+,60.0,test,CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C
553003,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C,525.17662,[M-H]-,20.0,test,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C
553004,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C,525.17662,[M-H]-,20.0,test,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C
553005,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C,525.17662,[M-H]-,60.0,test,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C
553006,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C,525.17662,[M-H]-,30.0,test,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C
553007,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C,525.17662,[M-H]-,20.0,test,C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C
553008,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,607.18436,[M-H]-,20.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553009,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,607.18436,[M-H]-,20.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553010,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,607.18436,[M-H]-,60.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553011,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,607.18436,[M-H]-,20.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553012,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,607.18436,[M-H]-,60.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553013,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,607.18436,[M-H]-,20.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553014,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,609.19892,[M+H]+,20.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553015,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,609.19892,[M+H]+,20.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553016,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,609.19892,[M+H]+,60.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553017,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,609.19892,[M+H]+,20.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553018,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,609.19892,[M+H]+,45.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553019,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,609.19892,[M+H]+,60.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553020,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,609.19892,[M+H]+,20.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553021,Cc1c2oc(=O)c3c(CCN(C(=O)c4cc(OC(F)(F)F)c(NS(C)(=O)=O)cc4)C3)c2ccc1N1CCN(C)[C@@H](C)C1,609.19892,[M+H]+,45.0,test,Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3
553022,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,458.24382,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
553023,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,458.24382,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
553024,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,458.24382,[M+H]+,60.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
553025,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,458.24382,[M+H]+,15.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
553026,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,458.24382,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
553027,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,458.24382,[M+H]+,60.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
553028,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,458.24382,[M+H]+,15.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
553029,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,458.24382,[M+H]+,20.0,test,COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
553030,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,20.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553031,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,20.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553032,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,60.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553033,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,20.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553034,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,45.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553035,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,60.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553036,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,20.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553037,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,45.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553038,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,458.23368,[M+FA]-,20.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553039,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,458.23368,[M+FA]-,60.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553040,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,20.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553041,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,20.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553042,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,60.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553043,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,20.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553044,Oc1cc2c(cc1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CC2,414.24275,[M+H]+,45.0,test,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
553045,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,476.20786,[M-H]-,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553046,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,476.20786,[M-H]-,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553047,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,476.20786,[M-H]-,45.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553048,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,476.20786,[M-H]-,60.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553049,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,476.20786,[M-H]-,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553050,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,476.20786,[M-H]-,45.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553051,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,476.20786,[M-H]-,60.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553052,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,476.20786,[M-H]-,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553053,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,512.18454,[M+Cl]-,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553054,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,522.21334,[M+FA]-,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553055,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,522.21334,[M+FA]-,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553056,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,522.21334,[M+FA]-,60.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553057,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,522.21334,[M+FA]-,15.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553058,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,522.21334,[M+FA]-,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553059,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,478.22241,[M+H]+,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553060,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,478.22241,[M+H]+,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553061,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,478.22241,[M+H]+,60.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553062,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,478.22241,[M+H]+,15.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553063,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,478.22241,[M+H]+,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553064,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,478.22241,[M+H]+,60.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553065,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,478.22241,[M+H]+,15.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553066,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,478.22241,[M+H]+,20.0,test,COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
553067,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,20.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553068,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,20.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553069,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,60.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553070,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,20.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553071,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,45.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553072,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,60.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553073,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,20.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553074,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,45.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553075,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,20.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553076,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,20.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553077,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,60.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553078,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,20.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553079,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,45.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553080,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,60.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553081,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,20.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553082,CN(C(=O)/C=C/c1cocc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4c5c(c(O)cc4)O[C@@H]1[C@]52CCN3CC1CC1,477.2384,[M+H]+,45.0,test,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
553083,COc1c(Cl)cc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2C[C@H](C)N2CCOCC2)cc1,509.23139,[M+H]+,20.0,test,COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
553084,COc1c(Cl)cc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2C[C@H](C)N2CCOCC2)cc1,509.23139,[M+H]+,20.0,test,COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
553085,COc1c(Cl)cc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2C[C@H](C)N2CCOCC2)cc1,509.23139,[M+H]+,60.0,test,COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
553086,COc1c(Cl)cc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2C[C@H](C)N2CCOCC2)cc1,509.23139,[M+H]+,30.0,test,COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
553087,COc1c(Cl)cc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2C[C@H](C)N2CCOCC2)cc1,509.23139,[M+H]+,20.0,test,COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
553088,COc1c(Cl)cc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2C[C@H](C)N2CCOCC2)cc1,509.23139,[M+H]+,60.0,test,COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
553089,COc1c(Cl)cc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2C[C@H](C)N2CCOCC2)cc1,509.23139,[M+H]+,30.0,test,COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
553090,COc1c(Cl)cc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2C[C@H](C)N2CCOCC2)cc1,509.23139,[M+H]+,20.0,test,COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
553091,COc1c(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)ccc(N2CCC(O)CC2)c1,536.2326,[M+H]+,20.0,test,COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
553092,COc1c(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)ccc(N2CCC(O)CC2)c1,536.2326,[M+H]+,20.0,test,COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
553093,COc1c(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)ccc(N2CCC(O)CC2)c1,536.2326,[M+H]+,60.0,test,COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
553094,COc1c(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)ccc(N2CCC(O)CC2)c1,536.2326,[M+H]+,20.0,test,COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
553095,COc1c(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)ccc(N2CCC(O)CC2)c1,536.2326,[M+H]+,45.0,test,COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
553096,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553097,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553098,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553099,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553100,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553101,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553102,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553103,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553104,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553105,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553106,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553107,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553108,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553109,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553110,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553111,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553112,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553113,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553114,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553115,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553116,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553117,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553118,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553119,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553120,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553121,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553122,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553123,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553124,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553125,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553126,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553127,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553128,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553129,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553130,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553131,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553132,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553133,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553134,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553135,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553136,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553137,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,60.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553138,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,30.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553139,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,500.27685,[M+H]+,20.0,test,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
553140,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,478.22242,[M+H-H2O]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553141,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,478.22242,[M+H-H2O]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553142,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,478.22242,[M+H-H2O]+,60.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553143,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,478.22242,[M+H-H2O]+,30.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553144,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,478.22242,[M+H-H2O]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553145,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,496.23298,[M+H]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553146,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,496.23298,[M+H]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553147,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,496.23298,[M+H]+,30.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553148,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,496.23298,[M+H]+,60.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553149,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,496.23298,[M+H]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553150,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,513.25953,[M+NH4]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553151,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,513.25953,[M+NH4]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553152,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,513.25953,[M+NH4]+,60.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553153,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,513.25953,[M+NH4]+,15.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553154,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,513.25953,[M+NH4]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553155,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,513.25953,[M+NH4]+,60.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553156,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,513.25953,[M+NH4]+,15.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553157,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O,513.25953,[M+NH4]+,20.0,test,C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)OC=C[C@@](C)(O)C1=O
553158,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C,486.29758,[M+H]+,20.0,test,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C
553159,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C,486.29758,[M+H]+,20.0,test,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C
553160,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C,486.29758,[M+H]+,45.0,test,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C
553161,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C,486.29758,[M+H]+,60.0,test,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C
553162,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C,486.29758,[M+H]+,20.0,test,Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(C6CCCCC6)CC5)n4ccn3n2)cc1C
553163,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,500.27795,[M-H]-,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553164,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,500.27795,[M-H]-,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553165,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,500.27795,[M-H]-,60.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553166,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,500.27795,[M-H]-,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553167,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,500.27795,[M-H]-,45.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553168,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,500.27795,[M-H]-,60.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553169,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,500.27795,[M-H]-,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553170,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,500.27795,[M-H]-,45.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553171,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,536.25462,[M+Cl]-,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553172,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,536.25462,[M+Cl]-,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553173,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,536.25462,[M+Cl]-,60.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553174,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,536.25462,[M+Cl]-,15.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553175,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,536.25462,[M+Cl]-,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553176,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,502.2925,[M+H]+,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553177,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,502.2925,[M+H]+,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553178,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,502.2925,[M+H]+,60.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553179,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,502.2925,[M+H]+,30.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553180,CCc1c(NC(=O)N2Cc3c(C2)c(NC(=O)c2ccc(N4CCN(C)CC4)cc2)n[nH]3)c(CC)ccc1,502.2925,[M+H]+,20.0,test,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
553181,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,495.2323,[M-H]-,20.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
553182,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,495.2323,[M-H]-,20.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
553183,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,495.2323,[M-H]-,60.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
553184,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,495.2323,[M-H]-,20.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
553185,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,495.2323,[M-H]-,45.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
553186,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,495.2323,[M-H]-,60.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
553187,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,495.2323,[M-H]-,20.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
553188,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,495.2323,[M-H]-,45.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
553189,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C,531.20898,[M+Cl]-,20.0,test,CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)cc2)C1(C)C
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553209,COc1c(O)cc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1,611.19814,[M-H]-,20.0,test,COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O
553210,COc1c(O)cc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1,611.19814,[M-H]-,45.0,test,COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O
553211,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21,467.29043,[M+H]+,20.0,test,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
553212,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21,467.29043,[M+H]+,20.0,test,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
553213,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21,467.29043,[M+H]+,45.0,test,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
553214,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21,467.29043,[M+H]+,60.0,test,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
553215,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21,467.29043,[M+H]+,20.0,test,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
553216,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21,467.29043,[M+H]+,60.0,test,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
553217,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21,467.29043,[M+H]+,45.0,test,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
553218,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21,467.29043,[M+H]+,20.0,test,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
553219,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,517.24747,[M+Cl]-,15.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553220,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,517.24747,[M+Cl]-,60.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553221,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,527.27627,[M+FA]-,20.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553222,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,527.27627,[M+FA]-,20.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553223,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,527.27627,[M+FA]-,60.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553224,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,527.27627,[M+FA]-,15.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553225,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,527.27627,[M+FA]-,20.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553226,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,527.27627,[M+FA]-,60.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553227,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,527.27627,[M+FA]-,15.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553228,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC,527.27627,[M+FA]-,20.0,test,CCOc1cc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OCC)c1OCC
553229,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,493.28203,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553230,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,493.28203,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553231,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,493.28203,[M-H]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553232,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,493.28203,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553233,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,493.28203,[M-H]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553234,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,493.28203,[M-H]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553235,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,529.25871,[M+Cl]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553236,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,529.25871,[M+Cl]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553237,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,529.25871,[M+Cl]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553238,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,529.25871,[M+Cl]-,15.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553239,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,539.28751,[M+FA]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553240,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,539.28751,[M+FA]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553241,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,539.28751,[M+FA]-,60.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553242,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,539.28751,[M+FA]-,15.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
553243,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C,539.28751,[M+FA]-,20.0,test,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C
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553292,C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,494.32986,[M+H]+,30.0,test,C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
553293,C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,494.32986,[M+H]+,20.0,test,C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
553294,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,516.16639,[M-H]-,20.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553295,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,516.16639,[M-H]-,20.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553296,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,516.16639,[M-H]-,60.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553297,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,516.16639,[M-H]-,30.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553298,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,516.16639,[M-H]-,20.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553299,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,518.18094,[M+H]+,20.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553300,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,518.18094,[M+H]+,20.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553301,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,518.18094,[M+H]+,60.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553302,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,518.18094,[M+H]+,30.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553303,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,518.18094,[M+H]+,20.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553304,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,518.18094,[M+H]+,60.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553305,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,518.18094,[M+H]+,30.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553306,O=C(O)CCc1c(OCc2cc3c(cc2)c(=O)[nH]o3)ccc(C(=O)c2c(O)cc(OC3CCCC3)cc2)c1,518.18094,[M+H]+,20.0,test,O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1
553307,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,534.21223,[M-H]-,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553308,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,534.21223,[M-H]-,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553309,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,534.21223,[M-H]-,60.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553310,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,534.21223,[M-H]-,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553311,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,534.21223,[M-H]-,60.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553312,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,580.21771,[M+FA]-,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553313,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,580.21771,[M+FA]-,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553314,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,580.21771,[M+FA]-,60.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553315,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,536.22679,[M+H]+,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553316,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,536.22679,[M+H]+,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553317,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,536.22679,[M+H]+,60.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553318,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,536.22679,[M+H]+,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553319,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,536.22679,[M+H]+,45.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553320,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,536.22679,[M+H]+,60.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553321,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,536.22679,[M+H]+,20.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553322,Cc1c(-c2cc3cnc(NCCN4CCOCC4)nc3cc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,536.22679,[M+H]+,45.0,test,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
553323,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553324,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553325,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553326,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,30.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553327,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553328,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553329,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553330,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553331,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553332,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553333,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,45.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553334,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553335,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,45.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553336,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553337,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553338,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553339,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,30.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553340,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553341,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553342,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,30.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553343,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,571.19739,[M-H]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553344,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,607.17407,[M+Cl]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553345,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,607.17407,[M+Cl]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553346,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,607.17407,[M+Cl]-,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553347,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,607.17407,[M+Cl]-,15.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553348,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,607.17407,[M+Cl]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553349,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,617.20287,[M+FA]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553350,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,617.20287,[M+FA]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553351,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,617.20287,[M+FA]-,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553352,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,617.20287,[M+FA]-,15.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553353,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,617.20287,[M+FA]-,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553354,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553355,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553356,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553357,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553358,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,45.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553359,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,60.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553360,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,20.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553361,COc1cccc(N2CCN(C3=Nc4c(cccc4F)[C@H](CC(=O)O)N3c3c(OC)ccc(C(F)(F)F)c3)CC2)c1,573.21194,[M+H]+,45.0,test,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
553362,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,660.13638,[M+Cl]-,20.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553363,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,660.13638,[M+Cl]-,20.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553364,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,660.13638,[M+Cl]-,60.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553365,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,660.13638,[M+Cl]-,15.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553366,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,660.13638,[M+Cl]-,20.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553367,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,626.17426,[M+H]+,20.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553368,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,626.17426,[M+H]+,20.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553369,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,626.17426,[M+H]+,60.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553370,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,626.17426,[M+H]+,30.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553371,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,626.17426,[M+H]+,20.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553372,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,626.17426,[M+H]+,60.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553373,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,626.17426,[M+H]+,30.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553374,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,626.17426,[M+H]+,20.0,test,CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
553375,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,483.19255,[M-H]-,20.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553376,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,483.19255,[M-H]-,20.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553377,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,483.19255,[M-H]-,60.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553378,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,483.19255,[M-H]-,30.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553379,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,483.19255,[M-H]-,20.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553380,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,483.19255,[M-H]-,60.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553381,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,483.19255,[M-H]-,30.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553382,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,483.19255,[M-H]-,20.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553383,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,485.2071,[M+H]+,20.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553384,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,485.2071,[M+H]+,20.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553385,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,485.2071,[M+H]+,45.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553386,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,485.2071,[M+H]+,60.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553387,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,485.2071,[M+H]+,20.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553388,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,485.2071,[M+H]+,60.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553389,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,485.2071,[M+H]+,45.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553390,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC,485.2071,[M+H]+,20.0,test,CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccccc1OC
553391,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,482.20853,[M-H]-,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553392,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,482.20853,[M-H]-,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553393,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,482.20853,[M-H]-,60.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553394,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,482.20853,[M-H]-,30.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553395,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,482.20853,[M-H]-,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553396,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,528.21401,[M+FA]-,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553397,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,528.21401,[M+FA]-,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553398,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,528.21401,[M+FA]-,60.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553399,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,528.21401,[M+FA]-,15.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553400,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,528.21401,[M+FA]-,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553401,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,484.22308,[M+H]+,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553402,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,484.22308,[M+H]+,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553403,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,484.22308,[M+H]+,60.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553404,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,484.22308,[M+H]+,30.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553405,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,484.22308,[M+H]+,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553406,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,484.22308,[M+H]+,60.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553407,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,484.22308,[M+H]+,30.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553408,COc1c(OC)cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1,484.22308,[M+H]+,20.0,test,COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC
553409,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,585.16136,[M-H]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553410,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,585.16136,[M-H]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553411,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,585.16136,[M-H]-,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553412,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,585.16136,[M-H]-,30.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553413,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,585.16136,[M-H]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553414,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,585.16136,[M-H]-,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553415,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,585.16136,[M-H]-,30.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553416,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,585.16136,[M-H]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553417,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,621.13804,[M+Cl]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553418,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,621.13804,[M+Cl]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553419,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,621.13804,[M+Cl]-,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553420,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,621.13804,[M+Cl]-,15.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553421,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,621.13804,[M+Cl]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553422,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,631.16684,[M+FA]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553423,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,631.16684,[M+FA]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553424,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,631.16684,[M+FA]-,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553425,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,631.16684,[M+FA]-,15.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553426,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,631.16684,[M+FA]-,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553427,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,587.17592,[M+H]+,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553428,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,587.17592,[M+H]+,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553429,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,587.17592,[M+H]+,60.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553430,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,587.17592,[M+H]+,15.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553431,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(-c3cc(O)ccc3)cc(O)cc2O)OC=C2C(=O)OCC[C@H]21,587.17592,[M+H]+,20.0,test,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21
553432,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,551.23878,[M-H]-,20.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553433,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,551.23878,[M-H]-,20.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553434,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,551.23878,[M-H]-,60.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553435,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,551.23878,[M-H]-,20.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553436,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,551.23878,[M-H]-,45.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553437,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,553.25333,[M+H]+,20.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553438,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,553.25333,[M+H]+,20.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553439,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,553.25333,[M+H]+,60.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553440,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,553.25333,[M+H]+,30.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
553441,CCN1CCN(Cc2c(C(F)(F)F)cc(NC(=O)c3cc(Oc4c5cc(C)[nH]c5ncn4)c(C)cc3)cc2)CC1,553.25333,[M+H]+,20.0,test,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
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553451,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,633.18249,[M+FA]-,60.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553452,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,633.18249,[M+FA]-,15.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553453,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,633.18249,[M+FA]-,20.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553454,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,633.18249,[M+FA]-,60.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553455,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,633.18249,[M+FA]-,15.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553456,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,633.18249,[M+FA]-,20.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553457,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,606.21811,[M+NH4]+,20.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553458,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,606.21811,[M+NH4]+,20.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553459,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,606.21811,[M+NH4]+,15.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553460,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,606.21811,[M+NH4]+,60.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553461,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,606.21811,[M+NH4]+,20.0,test,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
553462,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,615.27974,[M+FA]-,20.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553463,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,615.27974,[M+FA]-,20.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553464,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,615.27974,[M+FA]-,60.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553465,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,615.27974,[M+FA]-,15.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553466,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,615.27974,[M+FA]-,20.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553467,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,571.28881,[M+H]+,20.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553468,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,571.28881,[M+H]+,20.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553469,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,571.28881,[M+H]+,60.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553470,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,571.28881,[M+H]+,20.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553471,CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1,571.28881,[M+H]+,45.0,test,CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21
553472,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553473,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553474,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,60.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553475,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553476,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,45.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553477,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553478,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553479,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,60.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553480,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553481,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,544.26778,[M-H]-,45.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553482,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553483,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553484,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,60.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553485,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,30.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553486,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553487,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,60.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553488,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,30.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553489,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553490,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553491,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553492,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,60.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553493,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,30.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553494,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1,546.28233,[M+H]+,20.0,test,COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
553495,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C,526.24354,[M+H]+,20.0,test,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C
553496,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C,526.24354,[M+H]+,20.0,test,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C
553497,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C,526.24354,[M+H]+,60.0,test,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C
553498,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C,526.24354,[M+H]+,30.0,test,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C
553499,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C,526.24354,[M+H]+,20.0,test,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C
553500,CCCOc1ccc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2CCN2CCOCC2)cc1,489.28602,[M+H]+,20.0,test,CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
553501,CCCOc1ccc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2CCN2CCOCC2)cc1,489.28602,[M+H]+,20.0,test,CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
553502,CCCOc1ccc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2CCN2CCOCC2)cc1,489.28602,[M+H]+,60.0,test,CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
553503,CCCOc1ccc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2CCN2CCOCC2)cc1,489.28602,[M+H]+,20.0,test,CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
553504,CCCOc1ccc(CCc2nc3c(ccc(-c4c(C)onc4C)c3)n2CCN2CCOCC2)cc1,489.28602,[M+H]+,45.0,test,CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
553505,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1,489.28602,[M+H]+,20.0,test,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1
553506,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1,489.28602,[M+H]+,20.0,test,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1
553507,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1,489.28602,[M+H]+,60.0,test,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1
553508,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1,489.28602,[M+H]+,20.0,test,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1
553509,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1,489.28602,[M+H]+,45.0,test,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1
553510,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1,489.28602,[M+H]+,60.0,test,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1
553511,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1,489.28602,[M+H]+,20.0,test,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1
553512,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1,489.28602,[M+H]+,45.0,test,CC1CCCN(CCCNC(=O)c2cccc(CN3C(=O)C4CCCN4C(=O)c4ccccc43)c2)C1
553513,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,479.24391,[M-H]-,20.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553514,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,479.24391,[M-H]-,20.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553515,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,479.24391,[M-H]-,60.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553516,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,479.24391,[M-H]-,20.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553517,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,479.24391,[M-H]-,60.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553518,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,481.25847,[M+H]+,20.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553519,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,481.25847,[M+H]+,20.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553520,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,481.25847,[M+H]+,60.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553521,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,481.25847,[M+H]+,30.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553522,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,481.25847,[M+H]+,20.0,test,C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
553523,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,525.24939,[M+FA]-,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553524,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,525.24939,[M+FA]-,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553525,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,481.25847,[M+H]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553526,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,481.25847,[M+H]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553527,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,481.25847,[M+H]+,60.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553528,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,481.25847,[M+H]+,15.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553529,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,481.25847,[M+H]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553530,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,498.28501,[M+NH4]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553531,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,498.28501,[M+NH4]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553532,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,498.28501,[M+NH4]+,60.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553533,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,498.28501,[M+NH4]+,15.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553534,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,498.28501,[M+NH4]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553535,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,503.24041,[M+Na]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553536,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,503.24041,[M+Na]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553537,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,503.24041,[M+Na]+,60.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553538,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,503.24041,[M+Na]+,30.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553539,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C,503.24041,[M+Na]+,20.0,test,CC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
553540,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,623.23453,[M+FA]-,20.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553541,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,623.23453,[M+FA]-,20.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553542,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,623.23453,[M+FA]-,15.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553543,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,623.23453,[M+FA]-,60.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553544,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,623.23453,[M+FA]-,20.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553545,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,596.27015,[M+NH4]+,20.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553546,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,596.27015,[M+NH4]+,20.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553547,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,596.27015,[M+NH4]+,60.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553548,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,596.27015,[M+NH4]+,15.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553549,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,596.27015,[M+NH4]+,20.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553550,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,596.27015,[M+NH4]+,60.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553551,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,596.27015,[M+NH4]+,15.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553552,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1,596.27015,[M+NH4]+,20.0,test,C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1
553553,CN(C)c1c2C[C@H]3C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C3=C(O)c2c(O)c(NC(=O)CNC(C)(C)C)c1,584.27259,[M-H]-,20.0,test,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O
553554,CN(C)c1c2C[C@H]3C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C3=C(O)c2c(O)c(NC(=O)CNC(C)(C)C)c1,584.27259,[M-H]-,20.0,test,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O
553555,CN(C)c1c2C[C@H]3C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C3=C(O)c2c(O)c(NC(=O)CNC(C)(C)C)c1,584.27259,[M-H]-,60.0,test,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O
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553688,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,539.09837,[M-H]-,20.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553689,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,539.09837,[M-H]-,60.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553690,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,539.09837,[M-H]-,30.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553691,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,539.09837,[M-H]-,20.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553692,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,575.07505,[M+Cl]-,20.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553693,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,575.07505,[M+Cl]-,20.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553694,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,575.07505,[M+Cl]-,60.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553695,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,575.07505,[M+Cl]-,20.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553696,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,541.11292,[M+H]+,20.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553697,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,541.11292,[M+H]+,20.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553698,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,541.11292,[M+H]+,60.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553699,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,541.11292,[M+H]+,20.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553700,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,541.11292,[M+H]+,45.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553701,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,541.11292,[M+H]+,60.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553702,O=C1CC(c2cc(-c3c4oc(-c5ccc(O)cc5)cc(=O)c4c(O)cc3O)c(O)cc2)Oc2cc(O)cc(O)c12,541.11292,[M+H]+,45.0,test,O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21
553703,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)cc1O,541.11292,[M+H]+,20.0,test,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
553704,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)cc1O,541.11292,[M+H]+,20.0,test,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
553705,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)cc1O,541.11292,[M+H]+,30.0,test,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
553706,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)cc1O,541.11292,[M+H]+,60.0,test,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
553707,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)cc1O,541.11292,[M+H]+,15.0,test,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
553708,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)cc1O,541.11292,[M+H]+,20.0,test,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
553709,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)cc1O,541.11292,[M+H]+,60.0,test,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
553710,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)cc1O,541.11292,[M+H]+,20.0,test,O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
553711,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553712,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553713,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553714,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553715,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553716,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553717,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553718,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553719,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553720,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553721,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553722,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553723,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553724,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553725,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553726,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553727,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553728,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553729,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553730,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,45.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553731,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553732,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553733,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553734,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553735,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553736,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553737,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553738,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,559.22747,[M-H]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553739,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553740,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553741,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553742,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553743,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553744,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553745,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553746,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553747,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553748,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553749,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553750,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553751,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553752,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553753,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553754,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553755,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553756,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,595.20415,[M+Cl]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553757,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553758,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553759,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553760,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,15.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553761,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,605.23295,[M+FA]-,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553762,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553763,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553764,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553765,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553766,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,45.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553767,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553768,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553769,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,45.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553770,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553771,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553772,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553773,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553774,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,45.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553775,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,60.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553776,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,20.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553777,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,561.24202,[M+H]+,45.0,test,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
553778,C[C@H]1CN(c2nc(OCc3c(F)cc(Cl)cc3)ccc2)CCN1Cc1nc2c(cc(C(=O)O)cc2)n1C[C@@H]1CCO1,580.21214,[M+H]+,20.0,test,C[C@H]1CN(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1
553779,C[C@H]1CN(c2nc(OCc3c(F)cc(Cl)cc3)ccc2)CCN1Cc1nc2c(cc(C(=O)O)cc2)n1C[C@@H]1CCO1,580.21214,[M+H]+,20.0,test,C[C@H]1CN(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1
553780,C[C@H]1CN(c2nc(OCc3c(F)cc(Cl)cc3)ccc2)CCN1Cc1nc2c(cc(C(=O)O)cc2)n1C[C@@H]1CCO1,580.21214,[M+H]+,30.0,test,C[C@H]1CN(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1
553781,C[C@H]1CN(c2nc(OCc3c(F)cc(Cl)cc3)ccc2)CCN1Cc1nc2c(cc(C(=O)O)cc2)n1C[C@@H]1CCO1,580.21214,[M+H]+,60.0,test,C[C@H]1CN(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1
553782,C[C@H]1CN(c2nc(OCc3c(F)cc(Cl)cc3)ccc2)CCN1Cc1nc2c(cc(C(=O)O)cc2)n1C[C@@H]1CCO1,580.21214,[M+H]+,20.0,test,C[C@H]1CN(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1
553783,C[C@H]1CN(c2nc(OCc3c(F)cc(Cl)cc3)ccc2)CCN1Cc1nc2c(cc(C(=O)O)cc2)n1C[C@@H]1CCO1,580.21214,[M+H]+,45.0,test,C[C@H]1CN(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1
553784,C[C@H]1CN(c2nc(OCc3c(F)cc(Cl)cc3)ccc2)CCN1Cc1nc2c(cc(C(=O)O)cc2)n1C[C@@H]1CCO1,580.21214,[M+H]+,60.0,test,C[C@H]1CN(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1
553785,C[C@H]1CN(c2nc(OCc3c(F)cc(Cl)cc3)ccc2)CCN1Cc1nc2c(cc(C(=O)O)cc2)n1C[C@@H]1CCO1,580.21214,[M+H]+,20.0,test,C[C@H]1CN(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1
553786,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,455.24932,[M+H]+,20.0,test,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
553787,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,455.24932,[M+H]+,20.0,test,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
553788,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,455.24932,[M+H]+,60.0,test,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
553789,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,455.24932,[M+H]+,20.0,test,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
553790,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,455.24932,[M+H]+,45.0,test,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
553791,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,455.24932,[M+H]+,60.0,test,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
553792,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,455.24932,[M+H]+,20.0,test,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
553793,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,455.24932,[M+H]+,45.0,test,Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
553794,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,617.18648,[M+H]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553795,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,617.18648,[M+H]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553796,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,617.18648,[M+H]+,60.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553797,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,617.18648,[M+H]+,15.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553798,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,617.18648,[M+H]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553799,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,634.21303,[M+NH4]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553800,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,634.21303,[M+NH4]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553801,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,634.21303,[M+NH4]+,60.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553802,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,634.21303,[M+NH4]+,15.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553803,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1,634.21303,[M+NH4]+,20.0,test,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1
553804,COc1c(OC)c(OC)c2c(c1)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)Cc1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,20.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1
553805,COc1c(OC)c(OC)c2c(c1)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)Cc1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,20.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1
553806,COc1c(OC)c(OC)c2c(c1)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)Cc1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,60.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1
553807,COc1c(OC)c(OC)c2c(c1)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)Cc1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,15.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1
553808,COc1c(OC)c(OC)c2c(c1)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)Cc1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,20.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1
553809,COc1c(OC)c(OC)c2c(c1)C[C@H](C)[C@](C)(O)[C@@H](OC(=O)c1ccccc1)c1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,20.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2
553810,COc1c(OC)c(OC)c2c(c1)C[C@H](C)[C@](C)(O)[C@@H](OC(=O)c1ccccc1)c1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,20.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2
553811,COc1c(OC)c(OC)c2c(c1)C[C@H](C)[C@](C)(O)[C@@H](OC(=O)c1ccccc1)c1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,60.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2
553812,COc1c(OC)c(OC)c2c(c1)C[C@H](C)[C@](C)(O)[C@@H](OC(=O)c1ccccc1)c1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,15.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2
553813,COc1c(OC)c(OC)c2c(c1)C[C@H](C)[C@](C)(O)[C@@H](OC(=O)c1ccccc1)c1cc3c(OCO3)c(OC)c1-2,554.23846,[M+NH4]+,20.0,test,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2
553814,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,540.26163,[M+FA]-,20.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553815,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,540.26163,[M+FA]-,15.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553816,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,540.26163,[M+FA]-,20.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553817,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,540.26163,[M+FA]-,20.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553818,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,496.2707,[M+H]+,20.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553819,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,496.2707,[M+H]+,20.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553820,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,496.2707,[M+H]+,60.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553821,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,496.2707,[M+H]+,20.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553822,Cc1c(-c2cnc3c4c(cc(C(C)(C)O)cc4)n([C@H](c4ccccc4)C4CCOCC4)c3c2)n(C)nn1,496.2707,[M+H]+,45.0,test,Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
553823,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1,458.26897,[M+H]+,20.0,test,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
553824,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1,458.26897,[M+H]+,20.0,test,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
553825,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1,458.26897,[M+H]+,60.0,test,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
553826,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1,458.26897,[M+H]+,30.0,test,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
553827,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1,458.26897,[M+H]+,20.0,test,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
553828,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1,458.26897,[M+H]+,60.0,test,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
553829,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1,458.26897,[M+H]+,20.0,test,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
553830,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1,458.26897,[M+H]+,30.0,test,COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
553831,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,575.2446,[M-H]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553832,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,575.2446,[M-H]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553833,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,575.2446,[M-H]-,60.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553834,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,575.2446,[M-H]-,30.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553835,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,575.2446,[M-H]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553836,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,611.22128,[M+Cl]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553837,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,611.22128,[M+Cl]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553838,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,611.22128,[M+Cl]-,60.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553839,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,611.22128,[M+Cl]-,30.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553840,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,611.22128,[M+Cl]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553841,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,621.25008,[M+FA]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553842,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,621.25008,[M+FA]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553843,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,621.25008,[M+FA]-,60.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553844,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,621.25008,[M+FA]-,15.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553845,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,621.25008,[M+FA]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553846,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,621.25008,[M+FA]-,60.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553847,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,621.25008,[M+FA]-,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553848,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,577.25915,[M+H]+,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553849,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,577.25915,[M+H]+,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553850,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,577.25915,[M+H]+,60.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553851,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,577.25915,[M+H]+,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553852,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,577.25915,[M+H]+,45.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553853,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,577.25915,[M+H]+,60.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553854,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,577.25915,[M+H]+,20.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553855,CCOC(=O)c1cc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)ccc1,577.25915,[M+H]+,45.0,test,CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
553856,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3c(ccc(Cl)c3)Oc3c2cc(Cl)cc3)CC1,527.22266,[M]+,20.0,test,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1
553857,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3c(ccc(Cl)c3)Oc3c2cc(Cl)cc3)CC1,527.22266,[M]+,20.0,test,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1
553858,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3c(ccc(Cl)c3)Oc3c2cc(Cl)cc3)CC1,527.22266,[M]+,60.0,test,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1
553859,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3c(ccc(Cl)c3)Oc3c2cc(Cl)cc3)CC1,527.22266,[M]+,30.0,test,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1
553860,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3c(ccc(Cl)c3)Oc3c2cc(Cl)cc3)CC1,527.22266,[M]+,20.0,test,CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1
553861,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553862,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553863,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,60.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553864,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,15.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553865,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553866,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553867,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553868,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,60.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553869,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,15.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553870,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,691.21448,[M+FA]-,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553871,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553872,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553873,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,60.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553874,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,30.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553875,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553876,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553877,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553878,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,60.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553879,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,30.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553880,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1,647.22355,[M+H]+,20.0,test,CNc1nccc(CN(C2CCC(N)CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1
553881,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,559.25804,[M+Cl]-,20.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553882,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,525.29591,[M+H]+,20.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553883,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,525.29591,[M+H]+,20.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553884,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,525.29591,[M+H]+,30.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553885,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,525.29591,[M+H]+,60.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553886,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,525.29591,[M+H]+,15.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553887,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,525.29591,[M+H]+,20.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553888,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,525.29591,[M+H]+,60.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553889,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cc(OC)c(OC)cc1)c1cc(N)ccc1,525.29591,[M+H]+,20.0,test,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
553890,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,593.26035,[M-H]-,20.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553891,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,593.26035,[M-H]-,20.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553892,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,593.26035,[M-H]-,60.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553893,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,593.26035,[M-H]-,20.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553894,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,593.26035,[M-H]-,45.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553895,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,639.26583,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553896,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,639.26583,[M+FA]-,20.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553897,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,639.26583,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553898,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,639.26583,[M+FA]-,60.0,test,OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
553899,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,593.26035,[M-H]-,20.0,test,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
553900,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,593.26035,[M-H]-,20.0,test,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
553901,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,593.26035,[M-H]-,60.0,test,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
553902,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,593.26035,[M-H]-,45.0,test,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
553903,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,593.26035,[M-H]-,60.0,test,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
553904,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,593.26035,[M-H]-,45.0,test,OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
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554096,CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C,443.38836,[M+H-H2O]+,60.0,test,CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
554097,CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C,443.38836,[M+H-H2O]+,30.0,test,CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
554098,CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C,443.38836,[M+H-H2O]+,20.0,test,CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
554099,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,543.34579,[M+Cl]-,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554100,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,553.37459,[M+FA]-,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554101,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,553.37459,[M+FA]-,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554102,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,553.37459,[M+FA]-,60.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554103,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,553.37459,[M+FA]-,30.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554104,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,553.37459,[M+FA]-,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554105,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,553.37459,[M+FA]-,60.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554106,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,553.37459,[M+FA]-,30.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554107,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,553.37459,[M+FA]-,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554108,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,473.36255,[M+H-2H2O]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554109,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,473.36255,[M+H-2H2O]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554110,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,473.36255,[M+H-2H2O]+,60.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554111,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,473.36255,[M+H-2H2O]+,30.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554112,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,473.36255,[M+H-2H2O]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554113,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,491.37311,[M+H-H2O]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554114,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,491.37311,[M+H-H2O]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554115,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,491.37311,[M+H-H2O]+,60.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554116,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,491.37311,[M+H-H2O]+,15.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554117,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,491.37311,[M+H-H2O]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554118,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,509.38367,[M+H]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554119,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,509.38367,[M+H]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554120,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,509.38367,[M+H]+,60.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554121,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,509.38367,[M+H]+,15.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554122,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,509.38367,[M+H]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554123,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,509.38367,[M+H]+,60.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554124,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,509.38367,[M+H]+,15.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554125,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,509.38367,[M+H]+,20.0,test,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
554126,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,600.46812,[M+NH4]+,20.0,test,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
554127,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,600.46812,[M+NH4]+,20.0,test,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
554128,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,600.46812,[M+NH4]+,60.0,test,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
554129,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,600.46812,[M+NH4]+,30.0,test,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
554130,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,600.46812,[M+NH4]+,20.0,test,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
554131,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,524.21909,[M-H]-,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554132,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,524.21909,[M-H]-,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554133,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,524.21909,[M-H]-,60.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554134,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,524.21909,[M-H]-,30.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554135,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,524.21909,[M-H]-,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554136,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,570.22457,[M+FA]-,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554137,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,570.22457,[M+FA]-,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554138,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,570.22457,[M+FA]-,60.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554139,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,570.22457,[M+FA]-,15.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554140,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,570.22457,[M+FA]-,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554141,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,570.22457,[M+FA]-,60.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554142,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,570.22457,[M+FA]-,15.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554143,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,570.22457,[M+FA]-,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554144,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,526.23365,[M+H]+,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554145,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,526.23365,[M+H]+,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554146,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,526.23365,[M+H]+,60.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554147,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,526.23365,[M+H]+,30.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554148,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,526.23365,[M+H]+,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554149,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,526.23365,[M+H]+,60.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554150,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,526.23365,[M+H]+,30.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554151,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,526.23365,[M+H]+,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554152,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,548.21559,[M+Na]+,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554153,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,548.21559,[M+Na]+,20.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554154,COc1c(COc2c(C)cc(NC(C)=O)cc2C)cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,548.21559,[M+Na]+,45.0,test,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C
554155,COCCCc1c(C(=O)Nc2ccccc2-c2nc3c(ncc(CN4CCCC4)c3)s2)nc(-c2ccccc2)s1,570.19919,[M+H]+,20.0,test,COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1
554156,COCCCc1c(C(=O)Nc2ccccc2-c2nc3c(ncc(CN4CCCC4)c3)s2)nc(-c2ccccc2)s1,570.19919,[M+H]+,20.0,test,COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1
554157,COCCCc1c(C(=O)Nc2ccccc2-c2nc3c(ncc(CN4CCCC4)c3)s2)nc(-c2ccccc2)s1,570.19919,[M+H]+,60.0,test,COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1
554158,COCCCc1c(C(=O)Nc2ccccc2-c2nc3c(ncc(CN4CCCC4)c3)s2)nc(-c2ccccc2)s1,570.19919,[M+H]+,30.0,test,COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1
554159,COCCCc1c(C(=O)Nc2ccccc2-c2nc3c(ncc(CN4CCCC4)c3)s2)nc(-c2ccccc2)s1,570.19919,[M+H]+,20.0,test,COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1
554160,COCCCc1c(C(=O)Nc2ccccc2-c2nc3c(ncc(CN4CCCC4)c3)s2)nc(-c2ccccc2)s1,570.19919,[M+H]+,60.0,test,COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1
554161,COCCCc1c(C(=O)Nc2ccccc2-c2nc3c(ncc(CN4CCCC4)c3)s2)nc(-c2ccccc2)s1,570.19919,[M+H]+,30.0,test,COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1
554162,COCCCc1c(C(=O)Nc2ccccc2-c2nc3c(ncc(CN4CCCC4)c3)s2)nc(-c2ccccc2)s1,570.19919,[M+H]+,20.0,test,COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1
554163,Cc1c(N(C)C)ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1,507.24016,[M-H]-,20.0,test,Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C
554164,Cc1c(N(C)C)ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1,507.24016,[M-H]-,20.0,test,Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C
554165,Cc1c(N(C)C)ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1,507.24016,[M-H]-,60.0,test,Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C
554166,Cc1c(N(C)C)ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1,507.24016,[M-H]-,30.0,test,Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C
554167,Cc1c(N(C)C)ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1,507.24016,[M-H]-,20.0,test,Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C
554168,C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)OC(c4c(O)c5c(cc4)C(=O)c4c(ccc(C[C@@](C)(O)CC(=O)O)c4O)C5=O)C[C@H]3O[C@H]2CC1=O,595.1821,[M-H]-,20.0,test,C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)OC(c4ccc5c(c4O)C(=O)c4ccc(C[C@@](C)(O)CC(=O)O)c(O)c4C5=O)C[C@H]3O[C@H]2CC1=O
554169,C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)OC(c4c(O)c5c(cc4)C(=O)c4c(ccc(C[C@@](C)(O)CC(=O)O)c4O)C5=O)C[C@H]3O[C@H]2CC1=O,595.1821,[M-H]-,20.0,test,C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)OC(c4ccc5c(c4O)C(=O)c4ccc(C[C@@](C)(O)CC(=O)O)c(O)c4C5=O)C[C@H]3O[C@H]2CC1=O
554170,C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)OC(c4c(O)c5c(cc4)C(=O)c4c(ccc(C[C@@](C)(O)CC(=O)O)c4O)C5=O)C[C@H]3O[C@H]2CC1=O,595.1821,[M-H]-,60.0,test,C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)OC(c4ccc5c(c4O)C(=O)c4ccc(C[C@@](C)(O)CC(=O)O)c(O)c4C5=O)C[C@H]3O[C@H]2CC1=O
554171,C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)OC(c4c(O)c5c(cc4)C(=O)c4c(ccc(C[C@@](C)(O)CC(=O)O)c4O)C5=O)C[C@H]3O[C@H]2CC1=O,595.1821,[M-H]-,60.0,test,C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)OC(c4ccc5c(c4O)C(=O)c4ccc(C[C@@](C)(O)CC(=O)O)c(O)c4C5=O)C[C@H]3O[C@H]2CC1=O
554172,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,585.24987,[M-H]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554173,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,585.24987,[M-H]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554174,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,585.24987,[M-H]-,60.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554175,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,585.24987,[M-H]-,30.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554176,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,585.24987,[M-H]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554177,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,621.22655,[M+Cl]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554178,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,621.22655,[M+Cl]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554179,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,621.22655,[M+Cl]-,60.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554180,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,621.22655,[M+Cl]-,15.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554181,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,621.22655,[M+Cl]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554182,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,631.25535,[M+FA]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554183,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,631.25535,[M+FA]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554184,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,631.25535,[M+FA]-,60.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554185,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,631.25535,[M+FA]-,15.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554186,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,631.25535,[M+FA]-,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554187,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554188,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554189,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,60.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554190,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,30.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554191,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554192,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554193,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554194,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,60.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554195,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,30.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554196,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554197,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554198,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554199,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,60.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554200,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,30.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554201,CN(C)C/C=C/C(=O)Nc1cnc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1,587.26443,[M+H]+,20.0,test,CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
554202,COc1c(OC)cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4cc3C(C)C)cc2)cc1,551.25742,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
554203,COc1c(OC)cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4cc3C(C)C)cc2)cc1,551.25742,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
554204,COc1c(OC)cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4cc3C(C)C)cc2)cc1,551.25742,[M+H]+,60.0,test,COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
554205,COc1c(OC)cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4cc3C(C)C)cc2)cc1,551.25742,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
554206,COc1c(OC)cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4cc3C(C)C)cc2)cc1,551.25742,[M+H]+,45.0,test,COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
554207,COc1c(OC)cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4cc3C(C)C)cc2)cc1,551.25742,[M+H]+,60.0,test,COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
554208,COc1c(OC)cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4cc3C(C)C)cc2)cc1,551.25742,[M+H]+,20.0,test,COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
554209,COc1c(OC)cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4cc3C(C)C)cc2)cc1,551.25742,[M+H]+,45.0,test,COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
554210,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,550.25098,[M-H]-,60.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554211,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,550.25098,[M-H]-,60.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554212,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,586.22765,[M+Cl]-,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554213,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,586.22765,[M+Cl]-,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554214,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,586.22765,[M+Cl]-,30.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554215,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,586.22765,[M+Cl]-,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554216,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,596.25645,[M+FA]-,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554217,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,596.25645,[M+FA]-,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554218,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,596.25645,[M+FA]-,60.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554219,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,596.25645,[M+FA]-,15.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554220,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,596.25645,[M+FA]-,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554221,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,552.26553,[M+H]+,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554222,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,552.26553,[M+H]+,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554223,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,552.26553,[M+H]+,60.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554224,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,552.26553,[M+H]+,20.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554225,CN(CCCCCCNc1c2ccc(Cl)cc2ncc1)CCCCCCNc1c2ccc(Cl)cc2ncc1,552.26553,[M+H]+,60.0,test,CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12
554226,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554227,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554228,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554229,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554230,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554231,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554232,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554233,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554234,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554235,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,15.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554236,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554237,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554238,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554239,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554240,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554241,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554242,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554243,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554244,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,45.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554245,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554246,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,45.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554247,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554248,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554249,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554250,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,45.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554251,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554252,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,45.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554253,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554254,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554255,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554256,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554257,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554258,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554259,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554260,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554261,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,15.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554262,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554263,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554264,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554265,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554266,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,555.28982,[M-H]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554267,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554268,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554269,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,591.26649,[M+Cl]-,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554270,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554271,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554272,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554273,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,45.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554274,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554275,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,45.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554276,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554277,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,20.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554278,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554279,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,45.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554280,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,60.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554281,CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)c2c(ccc(NS(C)(=O)=O)c2)o1,557.30437,[M+H]+,45.0,test,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
554282,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O,567.31881,[M-H]-,20.0,test,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O
554283,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O,567.31881,[M-H]-,20.0,test,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O
554284,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O,567.31881,[M-H]-,60.0,test,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O
554285,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O,567.31881,[M-H]-,20.0,test,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O
554286,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O,567.31881,[M-H]-,45.0,test,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O
554287,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O,567.31881,[M-H]-,60.0,test,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O
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554331,CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,712.39882,[M+H]+,20.0,test,CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
554332,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,30.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554333,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,30.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554334,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,20.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554335,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,60.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554336,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,30.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554337,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,20.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554338,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,20.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554339,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,60.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554340,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,30.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554341,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,20.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554342,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,20.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554343,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,20.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554344,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,60.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554345,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,15.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554346,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,20.0,test,COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(OC)cc2)cc1
554347,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,20.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554348,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,20.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554349,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,60.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554350,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,30.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554351,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,20.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554352,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,60.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554353,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,30.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554354,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,569.14532,[M-H]-,20.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554355,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,20.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554356,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,20.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554357,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,60.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554358,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,15.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554359,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1,571.15987,[M+H]+,20.0,test,COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(OC)cc2)cc1
554360,CNc1nc(NC2CCN(Cc3ccc4c(c3C)cc(C#N)n4CC34CC(NC=O)(C3)C4)CC2)c2cc(CC(F)(F)F)sc2n1,637.26794,[M+H]+,20.0,test,CNc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC=O)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1
554361,CNc1nc(NC2CCN(Cc3ccc4c(c3C)cc(C#N)n4CC34CC(NC=O)(C3)C4)CC2)c2cc(CC(F)(F)F)sc2n1,637.26794,[M+H]+,20.0,test,CNc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC=O)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1
554362,CNc1nc(NC2CCN(Cc3ccc4c(c3C)cc(C#N)n4CC34CC(NC=O)(C3)C4)CC2)c2cc(CC(F)(F)F)sc2n1,637.26794,[M+H]+,60.0,test,CNc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC=O)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1
554363,CNc1nc(NC2CCN(Cc3ccc4c(c3C)cc(C#N)n4CC34CC(NC=O)(C3)C4)CC2)c2cc(CC(F)(F)F)sc2n1,637.26794,[M+H]+,30.0,test,CNc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC=O)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1
554364,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,655.21446,[M-H]-,20.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554365,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,655.21446,[M-H]-,20.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554366,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,655.21446,[M-H]-,60.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554367,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,655.21446,[M-H]-,15.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554368,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,655.21446,[M-H]-,20.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554369,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,655.21446,[M-H]-,60.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554370,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,655.21446,[M-H]-,15.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554371,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,655.21446,[M-H]-,20.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554372,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,657.22902,[M+H]+,20.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554373,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,657.22902,[M+H]+,20.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554374,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,657.22902,[M+H]+,60.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554375,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,657.22902,[M+H]+,15.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554376,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,657.22902,[M+H]+,20.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554377,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,657.22902,[M+H]+,60.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554378,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,657.22902,[M+H]+,15.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554379,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,657.22902,[M+H]+,20.0,test,CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
554380,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,509.2911,[M+H]+,20.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554381,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,509.2911,[M+H]+,20.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554382,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,509.2911,[M+H]+,60.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554383,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,509.2911,[M+H]+,30.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554384,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,509.2911,[M+H]+,20.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554385,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,509.2911,[M+H]+,60.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554386,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,509.2911,[M+H]+,30.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554387,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,509.2911,[M+H]+,20.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554388,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,531.27304,[M+Na]+,20.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554389,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,531.27304,[M+Na]+,20.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554390,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,531.27304,[M+Na]+,60.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554391,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,531.27304,[M+Na]+,20.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554392,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13,531.27304,[M+Na]+,45.0,test,C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C2OC2(C)C)[C@H]13
554393,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12,509.2911,[M+H]+,20.0,test,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12
554394,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12,509.2911,[M+H]+,20.0,test,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12
554395,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12,509.2911,[M+H]+,60.0,test,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12
554396,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12,509.2911,[M+H]+,30.0,test,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12
554397,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12,509.2911,[M+H]+,20.0,test,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12
554398,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12,509.2911,[M+H]+,60.0,test,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12
554399,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12,509.2911,[M+H]+,30.0,test,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12
554400,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12,509.2911,[M+H]+,20.0,test,C=CC(C)(C)C12CC3C(=O)N4C(CC5(C(C)(C)C=C)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12
554401,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,20.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554402,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,20.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554403,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,60.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554404,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,15.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554405,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,20.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554406,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,20.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554407,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,20.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554408,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,60.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554409,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,15.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554410,COc1cccc2c1C(=O)c1c(O)c3c(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O[C@@H]4CCCCO4)[C@H](C)O3)c(O)c1C2=O,628.23885,[M+H]+,20.0,test,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
554411,CC(C)CCN(CCC(C)C)C(=O)c1cn2c(CCCN3CCCC3)c(-c3ccc(C#N)cc3)nc2cc1,514.35404,[M+H]+,20.0,test,CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(CCCN3CCCC3)n2c1
554412,CC(C)CCN(CCC(C)C)C(=O)c1cn2c(CCCN3CCCC3)c(-c3ccc(C#N)cc3)nc2cc1,514.35404,[M+H]+,20.0,test,CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(CCCN3CCCC3)n2c1
554413,CC(C)CCN(CCC(C)C)C(=O)c1cn2c(CCCN3CCCC3)c(-c3ccc(C#N)cc3)nc2cc1,514.35404,[M+H]+,60.0,test,CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(CCCN3CCCC3)n2c1
554414,CC(C)CCN(CCC(C)C)C(=O)c1cn2c(CCCN3CCCC3)c(-c3ccc(C#N)cc3)nc2cc1,514.35404,[M+H]+,20.0,test,CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(CCCN3CCCC3)n2c1
554415,CC(C)CCN(CCC(C)C)C(=O)c1cn2c(CCCN3CCCC3)c(-c3ccc(C#N)cc3)nc2cc1,514.35404,[M+H]+,45.0,test,CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(CCCN3CCCC3)n2c1
554416,COc1c(O)ccc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)cc2)c1,721.24799,[M+Cl]-,20.0,test,COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
554417,COc1c(O)ccc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)cc2)c1,721.24799,[M+Cl]-,60.0,test,COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
554418,COc1c(O)ccc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)cc2)c1,721.24799,[M+Cl]-,20.0,test,COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
554419,COc1c(O)ccc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)cc2)c1,721.24799,[M+Cl]-,20.0,test,COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
554420,COc1c(O)ccc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)cc2)c1,731.27679,[M+FA]-,20.0,test,COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
554421,COc1c(O)ccc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)cc2)c1,731.27679,[M+FA]-,20.0,test,COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
554422,COc1c(O)ccc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)cc2)c1,731.27679,[M+FA]-,30.0,test,COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
554423,COc1c(O)ccc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)cc2)c1,731.27679,[M+FA]-,60.0,test,COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
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554594,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,564.21401,[M-H]-,30.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554595,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,564.21401,[M-H]-,20.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554596,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,566.22856,[M+H]+,20.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554597,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,566.22856,[M+H]+,20.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554598,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,566.22856,[M+H]+,60.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554599,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,566.22856,[M+H]+,20.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554600,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,566.22856,[M+H]+,45.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554601,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,566.22856,[M+H]+,60.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554602,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,566.22856,[M+H]+,20.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554603,COc1c2c(C)cn(C3CC3)c2cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccc(-c4cc(C(=O)O)cnc4)c2)O3)c1,566.22856,[M+H]+,45.0,test,COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1
554604,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554605,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554606,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,60.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554607,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,30.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554608,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554609,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,60.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554610,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,30.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554611,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554612,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554613,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554614,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,60.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554615,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,15.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554616,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554617,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,60.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554618,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,15.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554619,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554620,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554621,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554622,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,60.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554623,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,30.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554624,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554625,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,60.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554626,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,30.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554627,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,609.24671,[M-H]-,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554628,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554629,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554630,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,60.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554631,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,15.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554632,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554633,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,60.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554634,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,15.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554635,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2n[nH]nn2)cc1,611.26126,[M+H]+,20.0,test,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
554636,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,559.23374,[M-H]-,20.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554637,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,559.23374,[M-H]-,20.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554638,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,559.23374,[M-H]-,60.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554639,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,559.23374,[M-H]-,15.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554640,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,559.23374,[M-H]-,20.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554641,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,561.24829,[M+H]+,20.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554642,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,561.24829,[M+H]+,20.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554643,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,561.24829,[M+H]+,60.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554644,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,561.24829,[M+H]+,30.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554645,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,561.24829,[M+H]+,20.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554646,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,561.24829,[M+H]+,60.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554647,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,561.24829,[M+H]+,30.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554648,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2,561.24829,[M+H]+,20.0,test,CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
554649,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554650,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554651,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554652,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,30.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554653,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554654,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,618.24887,[M+Cl]-,15.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554655,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554656,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554657,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554658,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,15.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554659,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554660,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554661,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554662,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554663,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,30.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554664,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554665,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554666,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,30.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554667,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554668,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554669,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554670,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554671,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,30.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554672,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554673,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554674,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,30.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554675,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,582.27219,[M-H]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554676,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,618.24887,[M+Cl]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554677,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,618.24887,[M+Cl]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554678,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,618.24887,[M+Cl]-,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554679,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,618.24887,[M+Cl]-,15.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554680,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,618.24887,[M+Cl]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554681,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554682,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554683,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
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554685,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,628.27767,[M+FA]-,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
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554688,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,60.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554689,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,30.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
554690,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
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554693,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3c4c(c[nH]c4ccc3)C[C@H]21,584.28674,[M+H]+,20.0,test,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
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554700,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,707.21818,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
554701,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,707.21818,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
554702,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,707.21818,[M+H]+,30.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
554703,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,707.21818,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
554704,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,707.21818,[M+H]+,60.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
554705,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,707.21818,[M+H]+,30.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
554706,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,707.21818,[M+H]+,20.0,test,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
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554714,C[C@@H]1O[C@@H](OC2C(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4c3=O)OC(CO)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O,755.20402,[M-H]-,60.0,test,C[C@@H]1O[C@@H](OC2C(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4c3=O)OC(CO)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O
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554992,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,595.25621,[M-H]-,20.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
554993,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,595.25621,[M-H]-,20.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
554994,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,595.25621,[M-H]-,60.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
554995,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,595.25621,[M-H]-,15.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
554996,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,595.25621,[M-H]-,20.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
554997,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,595.25621,[M-H]-,60.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
554998,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,595.25621,[M-H]-,15.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
554999,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,595.25621,[M-H]-,20.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555000,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,597.27076,[M+H]+,20.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555001,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,597.27076,[M+H]+,20.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555002,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,597.27076,[M+H]+,45.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555003,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,597.27076,[M+H]+,60.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555004,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,597.27076,[M+H]+,20.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555005,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,597.27076,[M+H]+,45.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555006,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,597.27076,[M+H]+,60.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555007,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,597.27076,[M+H]+,20.0,test,C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
555008,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,20.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555009,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,20.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555010,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,60.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555011,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,30.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555012,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,20.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555013,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,60.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555014,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,30.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555015,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,20.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555016,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,20.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555017,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,20.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555018,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,60.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555019,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,30.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555020,Cc1cc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)ccc1,539.29043,[M+H]+,20.0,test,Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1
555021,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O,575.26394,[M+H]+,20.0,test,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O
555022,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O,575.26394,[M+H]+,20.0,test,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O
555023,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O,575.26394,[M+H]+,60.0,test,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O
555024,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O,575.26394,[M+H]+,20.0,test,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O
555025,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O,575.26394,[M+H]+,45.0,test,COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)c2ccccc2)C2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O
555026,COc1cc2c(c(OC)c1)c(=O)c(OCCCCN1CCN(C(=O)c3ccncc3)CC1)c(-c1cc(OC)c(OC)c(OC)c1)o2,634.27591,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(OCCCCN3CCN(C(=O)c4ccncc4)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
555027,COc1cc2c(c(OC)c1)c(=O)c(OCCCCN1CCN(C(=O)c3ccncc3)CC1)c(-c1cc(OC)c(OC)c(OC)c1)o2,634.27591,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(OCCCCN3CCN(C(=O)c4ccncc4)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
555028,COc1cc2c(c(OC)c1)c(=O)c(OCCCCN1CCN(C(=O)c3ccncc3)CC1)c(-c1cc(OC)c(OC)c(OC)c1)o2,634.27591,[M+H]+,60.0,test,COc1cc(OC)c2c(=O)c(OCCCCN3CCN(C(=O)c4ccncc4)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
555029,COc1cc2c(c(OC)c1)c(=O)c(OCCCCN1CCN(C(=O)c3ccncc3)CC1)c(-c1cc(OC)c(OC)c(OC)c1)o2,634.27591,[M+H]+,30.0,test,COc1cc(OC)c2c(=O)c(OCCCCN3CCN(C(=O)c4ccncc4)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
555030,COc1cc2c(c(OC)c1)c(=O)c(OCCCCN1CCN(C(=O)c3ccncc3)CC1)c(-c1cc(OC)c(OC)c(OC)c1)o2,634.27591,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(OCCCCN3CCN(C(=O)c4ccncc4)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
555031,COc1cc2c(c(OC)c1)c(=O)c(OCCCCN1CCN(C(=O)c3ccncc3)CC1)c(-c1cc(OC)c(OC)c(OC)c1)o2,634.27591,[M+H]+,60.0,test,COc1cc(OC)c2c(=O)c(OCCCCN3CCN(C(=O)c4ccncc4)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
555032,COc1cc2c(c(OC)c1)c(=O)c(OCCCCN1CCN(C(=O)c3ccncc3)CC1)c(-c1cc(OC)c(OC)c(OC)c1)o2,634.27591,[M+H]+,30.0,test,COc1cc(OC)c2c(=O)c(OCCCCN3CCN(C(=O)c4ccncc4)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
555033,COc1cc2c(c(OC)c1)c(=O)c(OCCCCN1CCN(C(=O)c3ccncc3)CC1)c(-c1cc(OC)c(OC)c(OC)c1)o2,634.27591,[M+H]+,20.0,test,COc1cc(OC)c2c(=O)c(OCCCCN3CCN(C(=O)c4ccncc4)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
555034,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,765.23489,[M+H]+,20.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555035,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,765.23489,[M+H]+,20.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555036,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,765.23489,[M+H]+,60.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555037,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,765.23489,[M+H]+,30.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555038,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,765.23489,[M+H]+,20.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555039,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,765.23489,[M+H]+,60.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555040,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,765.23489,[M+H]+,20.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555041,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,782.26144,[M+NH4]+,20.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555042,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,782.26144,[M+NH4]+,20.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
555043,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,782.26144,[M+NH4]+,60.0,test,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
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555104,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555105,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555106,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555107,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,30.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555108,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555109,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555110,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
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555112,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,30.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555113,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555114,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555115,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,30.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555116,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555117,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,617.33446,[M+FA]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555118,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,617.33446,[M+FA]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555119,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,617.33446,[M+FA]-,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555120,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,617.33446,[M+FA]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555121,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555122,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555123,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555124,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,30.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555125,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555126,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555127,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,30.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555128,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,571.32898,[M-H]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555129,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,617.33446,[M+FA]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555130,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,617.33446,[M+FA]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555131,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,617.33446,[M+FA]-,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555132,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,617.33446,[M+FA]-,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555133,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555134,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555135,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555136,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,30.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555137,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555138,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555139,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,30.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555140,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555141,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555142,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555143,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,60.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555144,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,30.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555145,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,573.34353,[M+H]+,20.0,test,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
555146,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,736.28537,[M+FA]-,20.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555147,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,736.28537,[M+FA]-,20.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555148,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,736.28537,[M+FA]-,60.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555149,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,736.28537,[M+FA]-,15.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555150,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,736.28537,[M+FA]-,20.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555151,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,736.28537,[M+FA]-,60.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555152,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,736.28537,[M+FA]-,15.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555153,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,736.28537,[M+FA]-,20.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555154,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,674.28389,[M+H-H2O]+,20.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555155,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,674.28389,[M+H-H2O]+,20.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555156,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,674.28389,[M+H-H2O]+,60.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555157,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,674.28389,[M+H-H2O]+,15.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555158,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,674.28389,[M+H-H2O]+,20.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555159,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,674.28389,[M+H-H2O]+,15.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
555160,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,674.28389,[M+H-H2O]+,20.0,test,COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
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555221,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,848.33941,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
555222,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,848.33941,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
555223,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,848.33941,[M+NH4]+,60.0,test,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
555224,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,848.33941,[M+NH4]+,15.0,test,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
555225,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,848.33941,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
555226,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,848.33941,[M+NH4]+,60.0,test,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
555227,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,848.33941,[M+NH4]+,15.0,test,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
555228,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,848.33941,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
555229,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555230,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555231,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,60.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555232,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,30.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555233,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555234,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,60.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555235,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,30.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555236,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555237,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555238,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555239,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,15.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555240,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,60.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555241,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,30.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555242,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555243,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,60.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555244,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,30.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555245,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555246,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555247,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,30.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555248,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,60.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555249,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,584.20317,[M-H]-,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555250,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555251,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555252,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,60.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555253,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,30.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555254,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555255,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,60.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555256,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,30.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555257,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.21772,[M+H]+,20.0,test,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
555258,CCc1c(NC(=O)c2nn(C)c3c2CCc2cnc(Nc4c(OC(F)(F)F)cc(C(=O)NC5CCN(C)CC5)cc4)nc2-3)c(CC)ccc1,675.30245,[M-H]-,20.0,test,CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2
555259,CCc1c(NC(=O)c2nn(C)c3c2CCc2cnc(Nc4c(OC(F)(F)F)cc(C(=O)NC5CCN(C)CC5)cc4)nc2-3)c(CC)ccc1,675.30245,[M-H]-,60.0,test,CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2
555260,CCc1c(NC(=O)c2nn(C)c3c2CCc2cnc(Nc4c(OC(F)(F)F)cc(C(=O)NC5CCN(C)CC5)cc4)nc2-3)c(CC)ccc1,721.30792,[M+FA]-,20.0,test,CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2
555261,CCc1c(NC(=O)c2nn(C)c3c2CCc2cnc(Nc4c(OC(F)(F)F)cc(C(=O)NC5CCN(C)CC5)cc4)nc2-3)c(CC)ccc1,721.30792,[M+FA]-,20.0,test,CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2
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555411,CC1(C)CC[C@]2(C(=O)O)CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]34C)[C@@H]2C1,649.35934,[M-H]-,60.0,test,CC1(C)CC[C@]2(C(=O)O)CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]34C)[C@@H]2C1
555412,CC1(C)CC[C@]2(C(=O)O)CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]34C)[C@@H]2C1,649.35934,[M-H]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]34C)[C@@H]2C1
555413,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,595.24631,[M-H]-,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555414,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,595.24631,[M-H]-,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555415,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,595.24631,[M-H]-,60.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555416,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,595.24631,[M-H]-,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555417,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,595.24631,[M-H]-,60.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555418,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,641.25179,[M+FA]-,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555419,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,641.25179,[M+FA]-,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555420,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,641.25179,[M+FA]-,60.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555421,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,641.25179,[M+FA]-,15.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555422,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,641.25179,[M+FA]-,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555423,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,597.26087,[M+H]+,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555424,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,597.26087,[M+H]+,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555425,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,597.26087,[M+H]+,60.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555426,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,597.26087,[M+H]+,20.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555427,C=CC(=O)Nc1cc2c(cc1)[nH]c(=O)n2C1CCN(Cc2ccc(-c3c(-c4ccccc4)cc4c(=O)[nH]ccc4n3)cc2)CC1,597.26087,[M+H]+,45.0,test,C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
555428,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C,585.28219,[M+FA]-,20.0,test,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C
555429,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C,585.28219,[M+FA]-,15.0,test,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C
555430,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C,585.28219,[M+FA]-,20.0,test,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C
555431,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C,541.29126,[M+H]+,30.0,test,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C
555432,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C,541.29126,[M+H]+,30.0,test,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C
555433,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C,541.29126,[M+H]+,20.0,test,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C
555434,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C,541.29126,[M+H]+,60.0,test,C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4c(C)cc(C)cc4C)cc3)C[C@@]21C
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555593,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,706.42189,[M-H]-,30.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555594,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,706.42189,[M-H]-,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555595,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,742.39857,[M+Cl]-,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555596,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,742.39857,[M+Cl]-,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555597,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,742.39857,[M+Cl]-,60.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555598,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,742.39857,[M+Cl]-,30.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555599,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,742.39857,[M+Cl]-,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555600,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,752.42737,[M+FA]-,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555601,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,752.42737,[M+FA]-,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555602,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,752.42737,[M+FA]-,60.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555603,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,752.42737,[M+FA]-,15.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555604,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,752.42737,[M+FA]-,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555605,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,752.42737,[M+FA]-,60.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555606,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,752.42737,[M+FA]-,15.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555607,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,752.42737,[M+FA]-,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555608,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,708.43645,[M+H]+,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555609,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,708.43645,[M+H]+,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555610,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,708.43645,[M+H]+,15.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555611,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,708.43645,[M+H]+,60.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555612,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,708.43645,[M+H]+,30.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555613,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,708.43645,[M+H]+,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555614,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,708.43645,[M+H]+,60.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555615,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,708.43645,[M+H]+,20.0,test,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
555616,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,609.29701,[M-H]-,45.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555617,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,655.30249,[M+FA]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555618,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,609.29701,[M-H]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555619,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,609.29701,[M-H]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555620,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,609.29701,[M-H]-,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555621,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,609.29701,[M-H]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555622,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,609.29701,[M-H]-,45.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555623,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,655.30249,[M+FA]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555624,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,655.30249,[M+FA]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555625,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,655.30249,[M+FA]-,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555626,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,655.30249,[M+FA]-,15.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555627,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,655.30249,[M+FA]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555628,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555629,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555630,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555631,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555632,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,45.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555633,COc1c(O)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2ccc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)cc2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2
555634,COc1c(O)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2ccc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)cc2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2
555635,COc1c(O)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2ccc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)cc2)c(O)cc1,611.31156,[M+H]+,60.0,test,COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2
555636,COc1c(O)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2ccc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)cc2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2
555637,COc1c(O)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2ccc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)cc2)c(O)cc1,611.31156,[M+H]+,45.0,test,COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2
555638,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555639,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555640,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555641,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555642,COc1c(OC)cc2c(c1)CCN(C)[C@@H]2Cc1cc(Oc2c(OC)cc3CCN(C)[C@H](Cc4ccc(O)cc4)c3c2)c(O)cc1,611.31156,[M+H]+,45.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555643,COc1ccc(C[C@@H]2c3cc(Oc4c(O)ccc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)c4)c(OC)cc3CCN2C)cc1,611.31156,[M+H]+,20.0,test,COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1
555644,COc1ccc(C[C@@H]2c3cc(Oc4c(O)ccc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)c4)c(OC)cc3CCN2C)cc1,611.31156,[M+H]+,20.0,test,COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1
555645,COc1ccc(C[C@@H]2c3cc(Oc4c(O)ccc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)c4)c(OC)cc3CCN2C)cc1,611.31156,[M+H]+,60.0,test,COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1
555646,COc1ccc(C[C@@H]2c3cc(Oc4c(O)ccc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)c4)c(OC)cc3CCN2C)cc1,611.31156,[M+H]+,20.0,test,COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1
555647,COc1ccc(C[C@@H]2c3cc(Oc4c(O)ccc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)c4)c(OC)cc3CCN2C)cc1,611.31156,[M+H]+,45.0,test,COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1
555648,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,609.29701,[M-H]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555649,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,609.29701,[M-H]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555650,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,609.29701,[M-H]-,45.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555651,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,609.29701,[M-H]-,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555652,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,609.29701,[M-H]-,45.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555653,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,609.29701,[M-H]-,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555654,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,655.30249,[M+FA]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555655,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,655.30249,[M+FA]-,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555656,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,655.30249,[M+FA]-,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555657,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,655.30249,[M+FA]-,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555658,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555659,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555660,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,611.31156,[M+H]+,45.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555661,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,611.31156,[M+H]+,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555662,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555663,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,611.31156,[M+H]+,45.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555664,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,611.31156,[M+H]+,60.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555665,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2,611.31156,[M+H]+,20.0,test,COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
555666,C[C@H]1CN(C2COC2)CCN1c1cnc(Nc2cc(-c3c(CO)c(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)ncc3)cn(C)c2=O)cc1,665.35583,[M+H]+,20.0,test,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
555667,C[C@H]1CN(C2COC2)CCN1c1cnc(Nc2cc(-c3c(CO)c(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)ncc3)cn(C)c2=O)cc1,665.35583,[M+H]+,20.0,test,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
555668,C[C@H]1CN(C2COC2)CCN1c1cnc(Nc2cc(-c3c(CO)c(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)ncc3)cn(C)c2=O)cc1,665.35583,[M+H]+,60.0,test,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
555669,C[C@H]1CN(C2COC2)CCN1c1cnc(Nc2cc(-c3c(CO)c(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)ncc3)cn(C)c2=O)cc1,665.35583,[M+H]+,30.0,test,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
555670,C[C@H]1CN(C2COC2)CCN1c1cnc(Nc2cc(-c3c(CO)c(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)ncc3)cn(C)c2=O)cc1,665.35583,[M+H]+,20.0,test,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
555671,C[C@H]1CN(C2COC2)CCN1c1cnc(Nc2cc(-c3c(CO)c(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)ncc3)cn(C)c2=O)cc1,665.35583,[M+H]+,60.0,test,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
555672,C[C@H]1CN(C2COC2)CCN1c1cnc(Nc2cc(-c3c(CO)c(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)ncc3)cn(C)c2=O)cc1,665.35583,[M+H]+,30.0,test,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
555673,C[C@H]1CN(C2COC2)CCN1c1cnc(Nc2cc(-c3c(CO)c(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)ncc3)cn(C)c2=O)cc1,665.35583,[M+H]+,20.0,test,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
555674,COc1c(O)ccc(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1,583.29717,[M]+,20.0,test,COc1cc(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O
555675,COc1c(O)ccc(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1,583.29717,[M]+,20.0,test,COc1cc(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O
555676,COc1c(O)ccc(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1,583.29717,[M]+,60.0,test,COc1cc(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O
555677,COc1c(O)ccc(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1,583.29717,[M]+,60.0,test,COc1cc(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O
555678,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O,583.29717,[M]+,20.0,test,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O
555679,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O,583.29717,[M]+,20.0,test,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O
555680,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O,583.29717,[M]+,60.0,test,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O
555681,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O,583.29717,[M]+,60.0,test,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O
555682,C/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4cocc4)CC4OC43C12C,655.34767,[M+H]+,20.0,test,C/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4ccoc4)CC4OC43C12C
555683,C/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4cocc4)CC4OC43C12C,655.34767,[M+H]+,20.0,test,C/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4ccoc4)CC4OC43C12C
555684,C/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4cocc4)CC4OC43C12C,655.34767,[M+H]+,60.0,test,C/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4ccoc4)CC4OC43C12C
555685,C/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4cocc4)CC4OC43C12C,655.34767,[M+H]+,15.0,test,C/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4ccoc4)CC4OC43C12C
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555758,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,866.19941,[M-H]-,45.0,test,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1
555759,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,868.21397,[M+H]+,30.0,test,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1
555760,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,868.21397,[M+H]+,30.0,test,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1
555761,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,868.21397,[M+H]+,60.0,test,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1
555762,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,868.21397,[M+H]+,30.0,test,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1
555763,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,603.36911,[M-H]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555764,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,603.36911,[M-H]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555765,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,603.36911,[M-H]-,60.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555766,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,603.36911,[M-H]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555767,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,603.36911,[M-H]-,45.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555768,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,603.36911,[M-H]-,60.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555769,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,603.36911,[M-H]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555770,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,603.36911,[M-H]-,45.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555771,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,649.37459,[M+FA]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555772,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,649.37459,[M+FA]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555773,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,649.37459,[M+FA]-,60.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555774,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,649.37459,[M+FA]-,15.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555775,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,649.37459,[M+FA]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555776,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,649.37459,[M+FA]-,60.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555777,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,649.37459,[M+FA]-,15.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555778,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,649.37459,[M+FA]-,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555779,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,605.38367,[M+H]+,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555780,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,605.38367,[M+H]+,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555781,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,605.38367,[M+H]+,60.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555782,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,605.38367,[M+H]+,15.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555783,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,605.38367,[M+H]+,20.0,test,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
555784,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O,799.37577,[M+FA]-,20.0,test,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O
555785,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O,799.37577,[M+FA]-,30.0,test,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O
555786,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O,799.37577,[M+FA]-,20.0,test,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O
555787,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O,799.37577,[M+FA]-,30.0,test,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O
555788,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O,772.41139,[M+NH4]+,20.0,test,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O
555789,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O,772.41139,[M+NH4]+,20.0,test,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O
555790,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O,772.41139,[M+NH4]+,60.0,test,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O
555791,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O,772.41139,[M+NH4]+,15.0,test,COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O
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556021,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,847.2091,[M-H]-,20.0,test,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
556022,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,847.2091,[M-H]-,20.0,test,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
556023,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,847.2091,[M-H]-,45.0,test,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
556024,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,847.2091,[M-H]-,60.0,test,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
556025,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,847.2091,[M-H]-,20.0,test,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
556026,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,847.2091,[M-H]-,60.0,test,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
556027,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,847.2091,[M-H]-,45.0,test,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
556028,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,847.2091,[M-H]-,20.0,test,O=C(O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(CO)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
556029,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,895.23023,[M+FA]-,20.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556030,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,895.23023,[M+FA]-,20.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556031,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,895.23023,[M+FA]-,60.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556032,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,895.23023,[M+FA]-,15.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556033,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,895.23023,[M+FA]-,20.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556034,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,895.23023,[M+FA]-,20.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556035,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,895.23023,[M+FA]-,60.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556036,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,895.23023,[M+FA]-,20.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556037,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,868.26585,[M+NH4]+,20.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556038,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,868.26585,[M+NH4]+,20.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556039,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,868.26585,[M+NH4]+,60.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556040,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,868.26585,[M+NH4]+,15.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556041,O=C1c2c(cccc2O)C(c2c(O)c3c(cc2)C(O)(C2OC(CO)C(O)C(O)C2O)c2c(C3=O)c(O)cc(CO)c2)(C2OC(CO)C(O)C(O)C2O)c2c1c(O)cc(CO)c2,868.26585,[M+NH4]+,20.0,test,O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
556042,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,871.37443,[M-H]-,20.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556043,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,871.37443,[M-H]-,20.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556044,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,871.37443,[M-H]-,60.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556045,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,871.37443,[M-H]-,30.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556046,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,871.37443,[M-H]-,60.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556047,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,907.3511,[M+Cl]-,30.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556048,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,907.3511,[M+Cl]-,60.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556049,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,907.3511,[M+Cl]-,60.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556050,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,917.3799,[M+FA]-,20.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556051,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,917.3799,[M+FA]-,20.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556052,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,917.3799,[M+FA]-,60.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556053,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,917.3799,[M+FA]-,15.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556054,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,917.3799,[M+FA]-,60.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556055,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,917.3799,[M+FA]-,15.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556056,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,873.38898,[M+H]+,20.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556057,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,873.38898,[M+H]+,20.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556058,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,873.38898,[M+H]+,60.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556059,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,873.38898,[M+H]+,30.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556060,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,873.38898,[M+H]+,20.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556061,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,873.38898,[M+H]+,60.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556062,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,873.38898,[M+H]+,30.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556063,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,873.38898,[M+H]+,20.0,test,C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
556064,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,883.3969,[M+FA]-,20.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556065,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,883.3969,[M+FA]-,20.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556066,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,883.3969,[M+FA]-,60.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556067,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,883.3969,[M+FA]-,30.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556068,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,883.3969,[M+FA]-,20.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556069,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,883.3969,[M+FA]-,60.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556070,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,883.3969,[M+FA]-,30.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556071,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,883.3969,[M+FA]-,20.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556072,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,856.43252,[M+NH4]+,20.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556073,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,856.43252,[M+NH4]+,20.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556074,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,856.43252,[M+NH4]+,60.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556075,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,856.43252,[M+NH4]+,15.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556076,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,856.43252,[M+NH4]+,20.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556077,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,856.43252,[M+NH4]+,60.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
556078,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,856.43252,[M+NH4]+,15.0,test,COC1CC(O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)=CCC56OC46CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
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556376,C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C,801.49948,[M+H]+,60.0,test,C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
556377,C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C,801.49948,[M+H]+,20.0,test,C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
556378,C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C,801.49948,[M+H]+,15.0,test,C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
556379,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c(c(OC(=O)c3cc(O)c(O)c(O)c3)c(O)cc2[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556380,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c(c(OC(=O)c3cc(O)c(O)c(O)c3)c(O)cc2[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556381,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c(c(OC(=O)c3cc(O)c(O)c(O)c3)c(O)cc2[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,60.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556382,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c(c(OC(=O)c3cc(O)c(O)c(O)c3)c(O)cc2[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,15.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556383,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c(c(OC(=O)c3cc(O)c(O)c(O)c3)c(O)cc2[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556384,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,20.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556385,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,20.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556386,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,60.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556387,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,30.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556388,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,20.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556389,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,60.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556390,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,30.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556391,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,20.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556392,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556393,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556394,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,60.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556395,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,30.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556396,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556397,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,60.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556398,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,30.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556399,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,867.14142,[M-H]-,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556400,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556401,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556402,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,60.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556403,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,15.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556404,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556405,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556406,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,15.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556407,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,60.0,test,O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2c1=O)c1cc(O)c(O)c(O)c1
556408,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556409,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556410,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,60.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556411,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,15.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556412,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,869.15597,[M+H]+,20.0,test,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
556413,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,20.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556414,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,20.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556415,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,60.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556416,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,30.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556417,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,20.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556418,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,20.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556419,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,20.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556420,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,60.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556421,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,30.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556422,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3c(c4ccccc4cc3)C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2c1c1ccccc1cc2,753.30266,[M+H]+,20.0,test,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
556423,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O,924.50611,[M-H]-,20.0,test,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
556424,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O,924.50611,[M-H]-,20.0,test,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
556425,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O,924.50611,[M-H]-,60.0,test,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
556426,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O,924.50611,[M-H]-,45.0,test,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
556427,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O,970.51159,[M+FA]-,20.0,test,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
556428,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O,970.51159,[M+FA]-,20.0,test,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
556429,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O,970.51159,[M+FA]-,60.0,test,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
556430,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O,970.51159,[M+FA]-,15.0,test,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
556431,CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,871.46967,[M+FA]-,20.0,test,CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O
556432,CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,871.46967,[M+FA]-,20.0,test,CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O
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556504,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,786.47869,[M+H-H2O]+,60.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556505,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,786.47869,[M+H-H2O]+,15.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556506,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,786.47869,[M+H-H2O]+,20.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556507,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,804.48925,[M+H]+,20.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556508,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,804.48925,[M+H]+,20.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556509,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,804.48925,[M+H]+,60.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556510,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,804.48925,[M+H]+,15.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556511,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,804.48925,[M+H]+,20.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556512,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,821.5158,[M+NH4]+,20.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556513,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,821.5158,[M+NH4]+,60.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556514,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,821.5158,[M+NH4]+,15.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556515,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,821.5158,[M+NH4]+,20.0,test,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
556516,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,721.63407,[M+H]+,20.0,test,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
556517,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,721.63407,[M+H]+,20.0,test,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
556518,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,721.63407,[M+H]+,60.0,test,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
556519,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,721.63407,[M+H]+,15.0,test,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
556520,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,721.63407,[M+H]+,20.0,test,CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
556521,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,961.50137,[M+FA]-,20.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556522,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,961.50137,[M+FA]-,60.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556523,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,961.50137,[M+FA]-,60.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556524,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,917.51044,[M+H]+,20.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556525,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,917.51044,[M+H]+,20.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556526,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,917.51044,[M+H]+,60.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556527,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,917.51044,[M+H]+,15.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556528,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,917.51044,[M+H]+,20.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556529,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,934.53699,[M+NH4]+,20.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556530,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,934.53699,[M+NH4]+,20.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556531,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,934.53699,[M+NH4]+,60.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556532,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,934.53699,[M+NH4]+,15.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556533,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,934.53699,[M+NH4]+,20.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556534,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,934.53699,[M+NH4]+,60.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556535,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,934.53699,[M+NH4]+,15.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
556536,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C,934.53699,[M+NH4]+,20.0,test,CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C
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557019,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O,1159.48032,[M+H]+,20.0,test,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O
557020,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O,1159.48032,[M+H]+,15.0,test,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O
557021,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O,1159.48032,[M+H]+,20.0,test,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O
557022,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O,1176.50687,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O
557023,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O,1176.50687,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O
557024,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O,1176.50687,[M+NH4]+,60.0,test,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O
557025,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O,1176.50687,[M+NH4]+,15.0,test,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O
557026,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O,1176.50687,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OCC1OC(OC2OC(COC(=O)/C(C)=C/C)C(OC3OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC(=O)/C(C)=C/C)C(OC(=O)/C(C)=C/C)C1O
557027,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1145.50216,[M-H]-,20.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557028,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1145.50216,[M-H]-,20.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557029,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1145.50216,[M-H]-,60.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557030,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1145.50216,[M-H]-,45.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557031,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1145.50216,[M-H]-,60.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557032,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1145.50216,[M-H]-,45.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557033,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1164.54326,[M+NH4]+,20.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557034,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1164.54326,[M+NH4]+,20.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557035,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1164.54326,[M+NH4]+,60.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557036,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1164.54326,[M+NH4]+,15.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557037,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O,1164.54326,[M+NH4]+,20.0,test,CC1OC(OC2C(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C(=O)O)CCC8(C)CCC67C)C5(C)CO)OC(C(=O)O)C(O)C4O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
557038,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557039,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557040,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,60.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557041,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,15.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557042,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557043,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557044,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557045,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,60.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557046,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,15.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557047,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,20.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
557048,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C,1024.62032,[M+NH4]+,60.0,test,C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C
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557103,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,45.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557104,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,60.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557105,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,45.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557106,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1270.44563,[M+H]+,20.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557107,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1270.44563,[M+H]+,60.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557108,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1270.44563,[M+H]+,60.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557109,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,20.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557110,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,20.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557111,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,60.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557112,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,45.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557113,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,60.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557114,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1268.43107,[M-H]-,45.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557115,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1270.44563,[M+H]+,20.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557116,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1270.44563,[M+H]+,60.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557117,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1270.44563,[M+H]+,15.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557118,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5cc(OS(=O)(=O)O)c(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1,1270.44563,[M+H]+,60.0,test,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@H](O)CC(N)=O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1
557119,C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC(=O)[C@]34CCC(C)(C)CC3C3=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)C6CC[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,1205.55967,[M-H]-,20.0,test,C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC(=O)[C@]34CCC(C)(C)CC3C3=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)C6CC[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
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557136,CC1(C)CC[C@]23CO[C@@]4(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2OC2OCC(O)C(O)C2O)C3C1,1225.62117,[M+H]+,15.0,test,CC1(C)CC[C@]23CO[C@@]4(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2OC2OCC(O)C(O)C2O)C3C1
557137,CC1(C)CC[C@]23CO[C@@]4(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2OC2OCC(O)C(O)C2O)C3C1,1225.62117,[M+H]+,20.0,test,CC1(C)CC[C@]23CO[C@@]4(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2OC2OCC(O)C(O)C2O)C3C1
557138,CC(C)[C@H](N)C(=O)O,118.08626,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)O
557139,CC(C)[C@H](N)C(=O)O,118.08626,[M+H]+,60.0,test,CC(C)[C@H](N)C(=O)O
557140,CC(C)[C@H](N)C(=O)O,118.08626,[M+H]+,15.0,test,CC(C)[C@H](N)C(=O)O
557141,CC(C)[C@H](N)C(=O)O,118.08626,[M+H]+,20.0,test,CC(C)[C@H](N)C(=O)O
557142,O=C(O)c1ccnn1C(F)F,161.01681,[M-H]-,20.0,test,O=C(O)c1ccnn1C(F)F
557143,O=C(O)c1ccnn1C(F)F,161.01681,[M-H]-,20.0,test,O=C(O)c1ccnn1C(F)F
557144,O=C(O)c1ccnn1C(F)F,161.01681,[M-H]-,15.0,test,O=C(O)c1ccnn1C(F)F
557145,O=C(O)c1ccnn1C(F)F,161.01681,[M-H]-,20.0,test,O=C(O)c1ccnn1C(F)F
557146,O=C(O)c1ccnn1C(F)F,161.01681,[M-H]-,15.0,test,O=C(O)c1ccnn1C(F)F
557147,O=C(O)c1ccnn1C(F)F,161.01681,[M-H]-,20.0,test,O=C(O)c1ccnn1C(F)F
557148,O=C(O)c1cn(C(F)F)nc1,161.01681,[M-H]-,20.0,test,O=C(O)c1cnn(C(F)F)c1
557149,O=C(O)c1cn(C(F)F)nc1,161.01681,[M-H]-,20.0,test,O=C(O)c1cnn(C(F)F)c1
557150,O=C(O)c1cn(C(F)F)nc1,161.01681,[M-H]-,60.0,test,O=C(O)c1cnn(C(F)F)c1
557151,O=C(O)c1cn(C(F)F)nc1,161.01681,[M-H]-,15.0,test,O=C(O)c1cnn(C(F)F)c1
557152,O=C(O)c1cn(C(F)F)nc1,161.01681,[M-H]-,20.0,test,O=C(O)c1cnn(C(F)F)c1
557153,O=C(O)c1nn(C(F)F)cc1,161.01681,[M-H]-,20.0,test,O=C(O)c1ccn(C(F)F)n1
557154,O=C(O)c1nn(C(F)F)cc1,161.01681,[M-H]-,20.0,test,O=C(O)c1ccn(C(F)F)n1
557155,O=C(O)c1nn(C(F)F)cc1,161.01681,[M-H]-,15.0,test,O=C(O)c1ccn(C(F)F)n1
557156,O=C(O)c1nn(C(F)F)cc1,161.01681,[M-H]-,20.0,test,O=C(O)c1ccn(C(F)F)n1
557157,OB(O)c1cnc(Br)cc1,199.95239,[M-H]-,20.0,test,OB(O)c1ccc(Br)nc1
557158,OB(O)c1cnc(Br)cc1,199.95239,[M-H]-,60.0,test,OB(O)c1ccc(Br)nc1
557159,OB(O)c1cnc(Br)cc1,199.95239,[M-H]-,15.0,test,OB(O)c1ccc(Br)nc1
557160,OB(O)c1cnc(Br)cc1,199.95239,[M-H]-,20.0,test,OB(O)c1ccc(Br)nc1
557161,OB(O)c1cnc(Br)cc1,245.95787,[M+FA]-,20.0,test,OB(O)c1ccc(Br)nc1
557162,OB(O)c1cnc(Br)cc1,245.95787,[M+FA]-,20.0,test,OB(O)c1ccc(Br)nc1
557163,OB(O)c1cnc(Br)cc1,245.95787,[M+FA]-,60.0,test,OB(O)c1ccc(Br)nc1
557164,OB(O)c1cnc(Br)cc1,245.95787,[M+FA]-,15.0,test,OB(O)c1ccc(Br)nc1
557165,OB(O)c1cnc(Br)cc1,245.95787,[M+FA]-,20.0,test,OB(O)c1ccc(Br)nc1
557166,OB(O)c1cnc(Br)cc1,201.96695,[M+H]+,20.0,test,OB(O)c1ccc(Br)nc1
557167,OB(O)c1cnc(Br)cc1,201.96695,[M+H]+,20.0,test,OB(O)c1ccc(Br)nc1
557168,OB(O)c1cnc(Br)cc1,201.96695,[M+H]+,60.0,test,OB(O)c1ccc(Br)nc1
557169,OB(O)c1cnc(Br)cc1,201.96695,[M+H]+,20.0,test,OB(O)c1ccc(Br)nc1
557170,OB(O)c1cnc(Br)cc1,201.96695,[M+H]+,45.0,test,OB(O)c1ccc(Br)nc1
557171,OB(O)c1cnc(Br)cc1,201.96695,[M+H]+,60.0,test,OB(O)c1ccc(Br)nc1
557172,OB(O)c1cnc(Br)cc1,201.96695,[M+H]+,20.0,test,OB(O)c1ccc(Br)nc1
557173,OB(O)c1cnc(Br)cc1,201.96695,[M+H]+,45.0,test,OB(O)c1ccc(Br)nc1
557174,O=C(O)Cn1cc(Cl)cn1,158.99668,[M-H]-,20.0,test,O=C(O)Cn1cc(Cl)cn1
557175,O=C(O)Cn1cc(Cl)cn1,158.99668,[M-H]-,20.0,test,O=C(O)Cn1cc(Cl)cn1
557176,O=C(O)Cn1cc(Cl)cn1,158.99668,[M-H]-,60.0,test,O=C(O)Cn1cc(Cl)cn1
557177,O=C(O)Cn1cc(Cl)cn1,158.99668,[M-H]-,15.0,test,O=C(O)Cn1cc(Cl)cn1
557178,O=C(O)Cn1cc(Cl)cn1,158.99668,[M-H]-,20.0,test,O=C(O)Cn1cc(Cl)cn1
557179,Cn1ncc(Cl)c1C(=O)O,158.99668,[M-H]-,20.0,test,Cn1ncc(Cl)c1C(=O)O
557180,Cn1ncc(Cl)c1C(=O)O,158.99668,[M-H]-,20.0,test,Cn1ncc(Cl)c1C(=O)O
557181,Cn1ncc(Cl)c1C(=O)O,158.99668,[M-H]-,60.0,test,Cn1ncc(Cl)c1C(=O)O
557182,Cn1ncc(Cl)c1C(=O)O,158.99668,[M-H]-,15.0,test,Cn1ncc(Cl)c1C(=O)O
557183,Cn1ncc(Cl)c1C(=O)O,158.99668,[M-H]-,20.0,test,Cn1ncc(Cl)c1C(=O)O
557184,O=C(O)Cn1cccn1,125.03565,[M-H]-,20.0,test,O=C(O)Cn1cccn1
557185,O=C(O)Cn1cccn1,125.03565,[M-H]-,15.0,test,O=C(O)Cn1cccn1
557186,O=C(O)Cn1cccn1,125.03565,[M-H]-,20.0,test,O=C(O)Cn1cccn1
557187,Cn1nccc1C(=O)O,125.03565,[M-H]-,20.0,test,Cn1nccc1C(=O)O
557188,Cn1nccc1C(=O)O,125.03565,[M-H]-,60.0,test,Cn1nccc1C(=O)O
557189,Cn1nccc1C(=O)O,125.03565,[M-H]-,15.0,test,Cn1nccc1C(=O)O
557190,Cn1nccc1C(=O)O,125.03565,[M-H]-,20.0,test,Cn1nccc1C(=O)O
557191,Cc1cc(C(=O)O)n[nH]1,125.03565,[M-H]-,20.0,test,Cc1cc(C(=O)O)n[nH]1
557192,Cc1cc(C(=O)O)n[nH]1,125.03565,[M-H]-,60.0,test,Cc1cc(C(=O)O)n[nH]1
557193,Cc1cc(C(=O)O)n[nH]1,125.03565,[M-H]-,15.0,test,Cc1cc(C(=O)O)n[nH]1
557194,Cc1cc(C(=O)O)n[nH]1,125.03565,[M-H]-,20.0,test,Cc1cc(C(=O)O)n[nH]1
557195,Cc1ncc(C(=O)O)[nH]1,127.0502,[M+H]+,20.0,test,Cc1ncc(C(=O)O)[nH]1
557196,Cc1ncc(C(=O)O)[nH]1,127.0502,[M+H]+,20.0,test,Cc1ncc(C(=O)O)[nH]1
557197,Cc1ncc(C(=O)O)[nH]1,127.0502,[M+H]+,60.0,test,Cc1ncc(C(=O)O)[nH]1
557198,Cc1ncc(C(=O)O)[nH]1,127.0502,[M+H]+,20.0,test,Cc1ncc(C(=O)O)[nH]1
557199,Cc1ncc(C(=O)O)[nH]1,127.0502,[M+H]+,60.0,test,Cc1ncc(C(=O)O)[nH]1
557200,O=C(O)Cn1cccn1,127.0502,[M+H]+,20.0,test,O=C(O)Cn1cccn1
557201,O=C(O)Cn1cccn1,127.0502,[M+H]+,20.0,test,O=C(O)Cn1cccn1
557202,O=C(O)Cn1cccn1,127.0502,[M+H]+,60.0,test,O=C(O)Cn1cccn1
557203,O=C(O)Cn1cccn1,127.0502,[M+H]+,30.0,test,O=C(O)Cn1cccn1
557204,O=C(O)Cn1cccn1,127.0502,[M+H]+,20.0,test,O=C(O)Cn1cccn1
557205,Cc1c(C(=O)O)cn[nH]1,127.0502,[M+H]+,20.0,test,Cc1[nH]ncc1C(=O)O
557206,Cc1c(C(=O)O)cn[nH]1,127.0502,[M+H]+,20.0,test,Cc1[nH]ncc1C(=O)O
557207,Cc1c(C(=O)O)cn[nH]1,127.0502,[M+H]+,60.0,test,Cc1[nH]ncc1C(=O)O
557208,Cc1c(C(=O)O)cn[nH]1,127.0502,[M+H]+,30.0,test,Cc1[nH]ncc1C(=O)O
557209,Cc1c(C(=O)O)cn[nH]1,127.0502,[M+H]+,20.0,test,Cc1[nH]ncc1C(=O)O
557210,Cc1c(C(=O)O)cn[nH]1,127.0502,[M+H]+,60.0,test,Cc1[nH]ncc1C(=O)O
557211,Cc1c(C(=O)O)cn[nH]1,127.0502,[M+H]+,30.0,test,Cc1[nH]ncc1C(=O)O
557212,Cc1c(C(=O)O)cn[nH]1,127.0502,[M+H]+,20.0,test,Cc1[nH]ncc1C(=O)O
557213,O=C(O)Cn1ccnc1,127.0502,[M+H]+,20.0,test,O=C(O)Cn1ccnc1
557214,O=C(O)Cn1ccnc1,127.0502,[M+H]+,20.0,test,O=C(O)Cn1ccnc1
557215,O=C(O)Cn1ccnc1,127.0502,[M+H]+,60.0,test,O=C(O)Cn1ccnc1
557216,O=C(O)Cn1ccnc1,127.0502,[M+H]+,15.0,test,O=C(O)Cn1ccnc1
557217,O=C(O)Cn1ccnc1,127.0502,[M+H]+,20.0,test,O=C(O)Cn1ccnc1
557218,Cn1cncc1C(=O)O,127.0502,[M+H]+,20.0,test,Cn1cncc1C(=O)O
557219,Cn1cncc1C(=O)O,127.0502,[M+H]+,20.0,test,Cn1cncc1C(=O)O
557220,Cn1cncc1C(=O)O,127.0502,[M+H]+,60.0,test,Cn1cncc1C(=O)O
557221,Cn1cncc1C(=O)O,127.0502,[M+H]+,20.0,test,Cn1cncc1C(=O)O
557222,Cn1cncc1C(=O)O,127.0502,[M+H]+,45.0,test,Cn1cncc1C(=O)O
557223,Cn1cncc1C(=O)O,127.0502,[M+H]+,60.0,test,Cn1cncc1C(=O)O
557224,Cn1cncc1C(=O)O,127.0502,[M+H]+,20.0,test,Cn1cncc1C(=O)O
557225,Cn1cncc1C(=O)O,127.0502,[M+H]+,45.0,test,Cn1cncc1C(=O)O
557226,Cn1cnc(C(=O)O)c1,127.0502,[M+H]+,20.0,test,Cn1cnc(C(=O)O)c1
557227,Cn1cnc(C(=O)O)c1,127.0502,[M+H]+,20.0,test,Cn1cnc(C(=O)O)c1
557228,Cn1cnc(C(=O)O)c1,127.0502,[M+H]+,60.0,test,Cn1cnc(C(=O)O)c1
557229,Cn1cnc(C(=O)O)c1,127.0502,[M+H]+,15.0,test,Cn1cnc(C(=O)O)c1
557230,Cn1cnc(C(=O)O)c1,127.0502,[M+H]+,20.0,test,Cn1cnc(C(=O)O)c1
557231,Cc1cc(C(=O)O)n[nH]1,127.0502,[M+H]+,20.0,test,Cc1cc(C(=O)O)n[nH]1
557232,Cc1cc(C(=O)O)n[nH]1,127.0502,[M+H]+,20.0,test,Cc1cc(C(=O)O)n[nH]1
557233,Cc1cc(C(=O)O)n[nH]1,127.0502,[M+H]+,60.0,test,Cc1cc(C(=O)O)n[nH]1
557234,Cc1cc(C(=O)O)n[nH]1,127.0502,[M+H]+,20.0,test,Cc1cc(C(=O)O)n[nH]1
557235,Cc1cc(C(=O)O)n[nH]1,127.0502,[M+H]+,60.0,test,Cc1cc(C(=O)O)n[nH]1
557236,Cn1nccc1C(=O)O,127.0502,[M+H]+,20.0,test,Cn1nccc1C(=O)O
557237,Cn1nccc1C(=O)O,127.0502,[M+H]+,20.0,test,Cn1nccc1C(=O)O
557238,Cn1nccc1C(=O)O,127.0502,[M+H]+,60.0,test,Cn1nccc1C(=O)O
557239,Cn1nccc1C(=O)O,127.0502,[M+H]+,30.0,test,Cn1nccc1C(=O)O
557240,Cn1nccc1C(=O)O,127.0502,[M+H]+,20.0,test,Cn1nccc1C(=O)O
557241,O=C(O)Cc1cnc[nH]1,127.0502,[M+H]+,20.0,test,O=C(O)Cc1cnc[nH]1
557242,O=C(O)Cc1cnc[nH]1,127.0502,[M+H]+,20.0,test,O=C(O)Cc1cnc[nH]1
557243,O=C(O)Cc1cnc[nH]1,127.0502,[M+H]+,60.0,test,O=C(O)Cc1cnc[nH]1
557244,O=C(O)Cc1cnc[nH]1,127.0502,[M+H]+,30.0,test,O=C(O)Cc1cnc[nH]1
557245,O=C(O)Cc1cnc[nH]1,127.0502,[M+H]+,20.0,test,O=C(O)Cc1cnc[nH]1
557246,O=C(O)Cn1ccnc1,127.0502,[M+H]+,60.0,test,O=C(O)Cn1ccnc1
557247,O=C(O)Cn1ccnc1,127.0502,[M+H]+,60.0,test,O=C(O)Cn1ccnc1
557248,O=C(O)Cn1ccnc1,127.0502,[M+H]+,20.0,test,O=C(O)Cn1ccnc1
557249,O=C(O)Cn1ccnc1,127.0502,[M+H]+,60.0,test,O=C(O)Cn1ccnc1
557250,O=C(O)Cn1ccnc1,127.0502,[M+H]+,60.0,test,O=C(O)Cn1ccnc1
557251,COc1nccc(N)n1,126.06619,[M+H]+,20.0,test,COc1nccc(N)n1
557252,COc1nccc(N)n1,126.06619,[M+H]+,20.0,test,COc1nccc(N)n1
557253,COc1nccc(N)n1,126.06619,[M+H]+,60.0,test,COc1nccc(N)n1
557254,COc1nccc(N)n1,126.06619,[M+H]+,20.0,test,COc1nccc(N)n1
557255,COc1nccc(N)n1,126.06619,[M+H]+,45.0,test,COc1nccc(N)n1
557256,Cc1c(N)[nH]c(=O)nc1,126.06619,[M+H]+,20.0,test,Cc1cnc(=O)[nH]c1N
557257,Cc1c(N)[nH]c(=O)nc1,126.06619,[M+H]+,20.0,test,Cc1cnc(=O)[nH]c1N
557258,Cc1c(N)[nH]c(=O)nc1,126.06619,[M+H]+,60.0,test,Cc1cnc(=O)[nH]c1N
557259,Cc1c(N)[nH]c(=O)nc1,126.06619,[M+H]+,20.0,test,Cc1cnc(=O)[nH]c1N
557260,Cc1c(N)[nH]c(=O)nc1,126.06619,[M+H]+,45.0,test,Cc1cnc(=O)[nH]c1N
557261,O=C(O)CC[C@H](O)C(=O)O,147.0299,[M-H]-,20.0,test,O=C(O)CC[C@H](O)C(=O)O
557262,O=C(O)CC[C@H](O)C(=O)O,147.0299,[M-H]-,20.0,test,O=C(O)CC[C@H](O)C(=O)O
557263,O=C(O)CC[C@H](O)C(=O)O,147.0299,[M-H]-,60.0,test,O=C(O)CC[C@H](O)C(=O)O
557264,O=C(O)CC[C@H](O)C(=O)O,147.0299,[M-H]-,30.0,test,O=C(O)CC[C@H](O)C(=O)O
557265,O=C(O)CC[C@H](O)C(=O)O,147.0299,[M-H]-,20.0,test,O=C(O)CC[C@H](O)C(=O)O
557266,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,147.0299,[M-H]-,20.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557267,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,147.0299,[M-H]-,60.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557268,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,147.0299,[M-H]-,20.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557269,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,147.0299,[M-H]-,20.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557270,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,183.00657,[M+Cl]-,20.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557271,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,183.00657,[M+Cl]-,20.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557272,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,183.00657,[M+Cl]-,60.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557273,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,183.00657,[M+Cl]-,15.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557274,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,183.00657,[M+Cl]-,20.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
557275,O=C1O[C@H](CO)[C@@H](O)[C@H]1O,193.03538,[M+FA]-,20.0,test,O=C1O[C@H](CO)[C@@H](O)[C@H]1O
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557280,O=C(O)CC(O)CC(=O)O,147.0299,[M-H]-,20.0,test,O=C(O)CC(O)CC(=O)O
557281,O=C(O)CC(O)CC(=O)O,147.0299,[M-H]-,60.0,test,O=C(O)CC(O)CC(=O)O
557282,O=C(O)CC(O)CC(=O)O,147.0299,[M-H]-,15.0,test,O=C(O)CC(O)CC(=O)O
557283,O=C(O)CC(O)CC(=O)O,147.0299,[M-H]-,20.0,test,O=C(O)CC(O)CC(=O)O
557284,NC(N)=N[C@@H](CC(=O)O)C(=O)O,176.06658,[M+H]+,20.0,test,NC(N)=N[C@@H](CC(=O)O)C(=O)O
557285,NC(N)=N[C@@H](CC(=O)O)C(=O)O,176.06658,[M+H]+,20.0,test,NC(N)=N[C@@H](CC(=O)O)C(=O)O
557286,NC(N)=N[C@@H](CC(=O)O)C(=O)O,176.06658,[M+H]+,60.0,test,NC(N)=N[C@@H](CC(=O)O)C(=O)O
557287,NC(N)=N[C@@H](CC(=O)O)C(=O)O,176.06658,[M+H]+,30.0,test,NC(N)=N[C@@H](CC(=O)O)C(=O)O
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557299,CC(C)C[C@H]1C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C,1119.65878,[M+H]+,60.0,test,CC(C)C[C@H]1C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C
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557301,CC(C)C[C@H]1C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C,1119.65878,[M+H]+,20.0,test,CC(C)C[C@H]1C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C
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557352,O=C(O)CN1CCCNC1=O,141.06586,[M+H-H2O]+,60.0,test,O=C(O)CN1CCCNC1=O
557353,O=C(O)CN1CCCNC1=O,141.06586,[M+H-H2O]+,30.0,test,O=C(O)CN1CCCNC1=O
557354,O=C(O)CN1CCCNC1=O,159.07642,[M+H]+,20.0,test,O=C(O)CN1CCCNC1=O
557355,O=C(O)CN1CCCNC1=O,159.07642,[M+H]+,20.0,test,O=C(O)CN1CCCNC1=O
557356,O=C(O)CN1CCCNC1=O,159.07642,[M+H]+,15.0,test,O=C(O)CN1CCCNC1=O
557357,O=C(O)CN1CCCNC1=O,159.07642,[M+H]+,60.0,test,O=C(O)CN1CCCNC1=O
557358,O=C(O)CN1CCCNC1=O,159.07642,[M+H]+,30.0,test,O=C(O)CN1CCCNC1=O
557359,O=C(O)CN1CCCNC1=O,159.07642,[M+H]+,20.0,test,O=C(O)CN1CCCNC1=O
557360,O=C(O)CN1CCCNC1=O,159.07642,[M+H]+,60.0,test,O=C(O)CN1CCCNC1=O
557361,O=C(O)CN1CCCNC1=O,159.07642,[M+H]+,20.0,test,O=C(O)CN1CCCNC1=O
557362,O=C(O)CN1CCCNC1=O,181.05836,[M+Na]+,20.0,test,O=C(O)CN1CCCNC1=O
557363,O=C(O)CN1CCCNC1=O,181.05836,[M+Na]+,20.0,test,O=C(O)CN1CCCNC1=O
557364,O=C(O)CN1CCCNC1=O,181.05836,[M+Na]+,60.0,test,O=C(O)CN1CCCNC1=O
557365,O=C(O)CN1CCCNC1=O,181.05836,[M+Na]+,30.0,test,O=C(O)CN1CCCNC1=O
557366,O=C(O)CN1CCCNC1=O,181.05836,[M+Na]+,20.0,test,O=C(O)CN1CCCNC1=O
557367,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,20.0,test,NC(=O)CN1CC(O)CC1=O
557368,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,20.0,test,NC(=O)CN1CC(O)CC1=O
557369,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,60.0,test,NC(=O)CN1CC(O)CC1=O
557370,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,15.0,test,NC(=O)CN1CC(O)CC1=O
557371,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,20.0,test,NC(=O)CN1CC(O)CC1=O
557372,NC(=O)CN1CC(O)CC1=O,193.03854,[M+Cl]-,15.0,test,NC(=O)CN1CC(O)CC1=O
557373,NC(=O)CN1CC(O)CC1=O,193.03854,[M+Cl]-,15.0,test,NC(=O)CN1CC(O)CC1=O
557374,NC(=O)CN1CC(O)CC1=O,193.03854,[M+Cl]-,20.0,test,NC(=O)CN1CC(O)CC1=O
557375,NC(=O)CN1CC(O)CC1=O,193.03854,[M+Cl]-,15.0,test,NC(=O)CN1CC(O)CC1=O
557376,NC(=O)CN1CC(O)CC1=O,203.06734,[M+FA]-,20.0,test,NC(=O)CN1CC(O)CC1=O
557377,NC(=O)CN1CC(O)CC1=O,203.06734,[M+FA]-,20.0,test,NC(=O)CN1CC(O)CC1=O
557378,NC(=O)CN1CC(O)CC1=O,203.06734,[M+FA]-,60.0,test,NC(=O)CN1CC(O)CC1=O
557379,NC(=O)CN1CC(O)CC1=O,203.06734,[M+FA]-,15.0,test,NC(=O)CN1CC(O)CC1=O
557380,NC(=O)CN1CC(O)CC1=O,203.06734,[M+FA]-,20.0,test,NC(=O)CN1CC(O)CC1=O
557381,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,20.0,test,NC(=O)CN1CC(O)CC1=O
557382,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,20.0,test,NC(=O)CN1CC(O)CC1=O
557383,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,60.0,test,NC(=O)CN1CC(O)CC1=O
557384,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,15.0,test,NC(=O)CN1CC(O)CC1=O
557385,NC(=O)CN1CC(O)CC1=O,159.07642,[M+H]+,20.0,test,NC(=O)CN1CC(O)CC1=O
557386,CCC(C)C(=O)C(=O)O,129.05572,[M-H]-,20.0,test,CCC(C)C(=O)C(=O)O
557387,CCC(C)C(=O)C(=O)O,129.05572,[M-H]-,20.0,test,CCC(C)C(=O)C(=O)O
557388,CCC(C)C(=O)C(=O)O,129.05572,[M-H]-,15.0,test,CCC(C)C(=O)C(=O)O
557389,CCC(C)C(=O)C(=O)O,129.05572,[M-H]-,20.0,test,CCC(C)C(=O)C(=O)O
557390,CC(C)CC(=O)C(=O)O,129.05572,[M-H]-,20.0,test,CC(C)CC(=O)C(=O)O
557391,CC(C)CC(=O)C(=O)O,129.05572,[M-H]-,15.0,test,CC(C)CC(=O)C(=O)O
557392,CC(C)CC(=O)C(=O)O,129.05572,[M-H]-,20.0,test,CC(C)CC(=O)C(=O)O
557393,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,177.04046,[M-H]-,20.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557394,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,177.04046,[M-H]-,20.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557395,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,177.04046,[M-H]-,30.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557396,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,177.04046,[M-H]-,60.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557397,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,177.04046,[M-H]-,15.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557398,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,177.04046,[M-H]-,20.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557399,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,177.04046,[M-H]-,60.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557400,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,177.04046,[M-H]-,20.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557401,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,213.01714,[M+Cl]-,20.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557402,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,213.01714,[M+Cl]-,20.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557403,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,213.01714,[M+Cl]-,60.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557404,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,213.01714,[M+Cl]-,15.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557405,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O,213.01714,[M+Cl]-,20.0,test,O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
557406,O=C1OC(C(O)CO)C(O)C1O,177.04046,[M-H]-,20.0,test,O=C1OC(C(O)CO)C(O)C1O
557407,O=C1OC(C(O)CO)C(O)C1O,177.04046,[M-H]-,20.0,test,O=C1OC(C(O)CO)C(O)C1O
557408,O=C1OC(C(O)CO)C(O)C1O,177.04046,[M-H]-,60.0,test,O=C1OC(C(O)CO)C(O)C1O
557409,O=C1OC(C(O)CO)C(O)C1O,177.04046,[M-H]-,30.0,test,O=C1OC(C(O)CO)C(O)C1O
557410,O=C1OC(C(O)CO)C(O)C1O,177.04046,[M-H]-,20.0,test,O=C1OC(C(O)CO)C(O)C1O
557411,O=C1OC(C(O)CO)C(O)C1O,213.01714,[M+Cl]-,20.0,test,O=C1OC(C(O)CO)C(O)C1O
557412,O=C1OC(C(O)CO)C(O)C1O,213.01714,[M+Cl]-,20.0,test,O=C1OC(C(O)CO)C(O)C1O
557413,O=C1OC(C(O)CO)C(O)C1O,213.01714,[M+Cl]-,60.0,test,O=C1OC(C(O)CO)C(O)C1O
557414,O=C1OC(C(O)CO)C(O)C1O,213.01714,[M+Cl]-,15.0,test,O=C1OC(C(O)CO)C(O)C1O
557415,O=C1OC(C(O)CO)C(O)C1O,213.01714,[M+Cl]-,20.0,test,O=C1OC(C(O)CO)C(O)C1O
557416,Cn1cnc(CCN)c1,126.10257,[M+H]+,20.0,test,Cn1cnc(CCN)c1
557417,Cn1cnc(CCN)c1,126.10257,[M+H]+,20.0,test,Cn1cnc(CCN)c1
557418,Cn1cnc(CCN)c1,126.10257,[M+H]+,60.0,test,Cn1cnc(CCN)c1
557419,Cn1cnc(CCN)c1,126.10257,[M+H]+,30.0,test,Cn1cnc(CCN)c1
557420,Cn1cnc(CCN)c1,126.10257,[M+H]+,20.0,test,Cn1cnc(CCN)c1
557421,Cn1cnc(CCN)c1,126.10257,[M+H]+,60.0,test,Cn1cnc(CCN)c1
557422,Cn1cnc(CCN)c1,126.10257,[M+H]+,30.0,test,Cn1cnc(CCN)c1
557423,Cn1cnc(CCN)c1,126.10257,[M+H]+,20.0,test,Cn1cnc(CCN)c1
557424,Cn1cncc1CCN,126.10257,[M+H]+,20.0,test,Cn1cncc1CCN
557425,Cn1cncc1CCN,126.10257,[M+H]+,20.0,test,Cn1cncc1CCN
557426,Cn1cncc1CCN,126.10257,[M+H]+,45.0,test,Cn1cncc1CCN
557427,Cn1cncc1CCN,126.10257,[M+H]+,60.0,test,Cn1cncc1CCN
557428,Cn1cncc1CCN,126.10257,[M+H]+,20.0,test,Cn1cncc1CCN
557429,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,20.0,test,O=S(=O)(O)CCN1CCOCC1
557430,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,20.0,test,O=S(=O)(O)CCN1CCOCC1
557431,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,60.0,test,O=S(=O)(O)CCN1CCOCC1
557432,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,20.0,test,O=S(=O)(O)CCN1CCOCC1
557433,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,45.0,test,O=S(=O)(O)CCN1CCOCC1
557434,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,20.0,test,O=S(=O)(O)CCN1CCOCC1
557435,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,20.0,test,O=S(=O)(O)CCN1CCOCC1
557436,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,60.0,test,O=S(=O)(O)CCN1CCOCC1
557437,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,20.0,test,O=S(=O)(O)CCN1CCOCC1
557438,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,45.0,test,O=S(=O)(O)CCN1CCOCC1
557439,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,60.0,test,O=S(=O)(O)CCN1CCOCC1
557440,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,20.0,test,O=S(=O)(O)CCN1CCOCC1
557441,O=S(=O)(O)CCN1CCOCC1,194.04925,[M-H]-,45.0,test,O=S(=O)(O)CCN1CCOCC1
557442,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,20.0,test,O=S(=O)(O)CCN1CCOCC1
557443,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,20.0,test,O=S(=O)(O)CCN1CCOCC1
557444,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,60.0,test,O=S(=O)(O)CCN1CCOCC1
557445,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,15.0,test,O=S(=O)(O)CCN1CCOCC1
557446,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,20.0,test,O=S(=O)(O)CCN1CCOCC1
557447,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,20.0,test,O=S(=O)(O)CCN1CCOCC1
557448,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,20.0,test,O=S(=O)(O)CCN1CCOCC1
557449,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,60.0,test,O=S(=O)(O)CCN1CCOCC1
557450,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,20.0,test,O=S(=O)(O)CCN1CCOCC1
557451,O=S(=O)(O)CCN1CCOCC1,196.06381,[M+H]+,45.0,test,O=S(=O)(O)CCN1CCOCC1
557452,CC(=O)NCCCCN,131.11789,[M+H]+,20.0,test,CC(=O)NCCCCN
557453,CC(=O)NCCCCN,131.11789,[M+H]+,20.0,test,CC(=O)NCCCCN
557454,CC(=O)NCCCCN,131.11789,[M+H]+,60.0,test,CC(=O)NCCCCN
557455,CC(=O)NCCCCN,131.11789,[M+H]+,15.0,test,CC(=O)NCCCCN
557456,CC(=O)NCCCCN,131.11789,[M+H]+,20.0,test,CC(=O)NCCCCN
557457,NCCCCC(N)C(=O)O,145.09825,[M-H]-,20.0,test,NCCCCC(N)C(=O)O
557458,NCCCCC(N)C(=O)O,145.09825,[M-H]-,30.0,test,NCCCCC(N)C(=O)O
557459,NCCCCC(N)C(=O)O,145.09825,[M-H]-,20.0,test,NCCCCC(N)C(=O)O
557460,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557461,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557462,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,60.0,test,NCCCC[C@H](N)C(=O)O
557463,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,15.0,test,NCCCC[C@H](N)C(=O)O
557464,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557465,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557466,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557467,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,60.0,test,NCCCC[C@H](N)C(=O)O
557468,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,15.0,test,NCCCC[C@H](N)C(=O)O
557469,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557470,NCCCCC(N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCCC(N)C(=O)O
557471,NCCCCC(N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCCC(N)C(=O)O
557472,NCCCCC(N)C(=O)O,147.1128,[M+H]+,60.0,test,NCCCCC(N)C(=O)O
557473,NCCCCC(N)C(=O)O,147.1128,[M+H]+,15.0,test,NCCCCC(N)C(=O)O
557474,NCCCCC(N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCCC(N)C(=O)O
557475,NCCCC[C@@H](N)C(=O)O,129.10224,[M+H-H2O]+,20.0,test,NCCCC[C@@H](N)C(=O)O
557476,NCCCC[C@@H](N)C(=O)O,129.10224,[M+H-H2O]+,20.0,test,NCCCC[C@@H](N)C(=O)O
557477,NCCCC[C@@H](N)C(=O)O,129.10224,[M+H-H2O]+,60.0,test,NCCCC[C@@H](N)C(=O)O
557478,NCCCC[C@@H](N)C(=O)O,129.10224,[M+H-H2O]+,15.0,test,NCCCC[C@@H](N)C(=O)O
557479,NCCCC[C@@H](N)C(=O)O,129.10224,[M+H-H2O]+,20.0,test,NCCCC[C@@H](N)C(=O)O
557480,NCCCC[C@@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@@H](N)C(=O)O
557481,NCCCC[C@@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@@H](N)C(=O)O
557482,NCCCC[C@@H](N)C(=O)O,147.1128,[M+H]+,60.0,test,NCCCC[C@@H](N)C(=O)O
557483,NCCCC[C@@H](N)C(=O)O,147.1128,[M+H]+,15.0,test,NCCCC[C@@H](N)C(=O)O
557484,NCCCC[C@@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@@H](N)C(=O)O
557485,NCCCC[C@@H](N)C(=O)O,147.1128,[M+H]+,60.0,test,NCCCC[C@@H](N)C(=O)O
557486,NCCCC[C@@H](N)C(=O)O,147.1128,[M+H]+,15.0,test,NCCCC[C@@H](N)C(=O)O
557487,NCCCC[C@@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@@H](N)C(=O)O
557488,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,20.0,test,C[N+](C)(C)NCCC(=O)[O-]
557489,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,20.0,test,C[N+](C)(C)NCCC(=O)[O-]
557490,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,60.0,test,C[N+](C)(C)NCCC(=O)[O-]
557491,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,30.0,test,C[N+](C)(C)NCCC(=O)[O-]
557492,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,20.0,test,C[N+](C)(C)NCCC(=O)[O-]
557493,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,60.0,test,C[N+](C)(C)NCCC(=O)[O-]
557494,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,30.0,test,C[N+](C)(C)NCCC(=O)[O-]
557495,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,20.0,test,C[N+](C)(C)NCCC(=O)[O-]
557496,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557497,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557498,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,60.0,test,NCCCC[C@H](N)C(=O)O
557499,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,15.0,test,NCCCC[C@H](N)C(=O)O
557500,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557501,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557502,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557503,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,60.0,test,NCCCC[C@H](N)C(=O)O
557504,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,15.0,test,NCCCC[C@H](N)C(=O)O
557505,NCCCC[C@H](N)C(=O)O,147.1128,[M+H]+,20.0,test,NCCCC[C@H](N)C(=O)O
557506,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,20.0,test,C[N+](C)(C)NCCC(=O)[O-]
557507,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,20.0,test,C[N+](C)(C)NCCC(=O)[O-]
557508,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,60.0,test,C[N+](C)(C)NCCC(=O)[O-]
557509,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,30.0,test,C[N+](C)(C)NCCC(=O)[O-]
557510,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,20.0,test,C[N+](C)(C)NCCC(=O)[O-]
557511,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,60.0,test,C[N+](C)(C)NCCC(=O)[O-]
557512,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,30.0,test,C[N+](C)(C)NCCC(=O)[O-]
557513,C[N+](C)(C)NCCC(=O)[O-],147.1128,[M+H]+,20.0,test,C[N+](C)(C)NCCC(=O)[O-]
557514,NC(N)=NCCC[C@H](N)C(=O)O,173.1044,[M-H]-,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557515,NC(N)=NCCC[C@H](N)C(=O)O,173.1044,[M-H]-,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557516,NC(N)=NCCC[C@H](N)C(=O)O,173.1044,[M-H]-,60.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557517,NC(N)=NCCC[C@H](N)C(=O)O,173.1044,[M-H]-,30.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557518,NC(N)=NCCC[C@H](N)C(=O)O,173.1044,[M-H]-,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557519,NC(N)=NCCCC(N)C(=O)O,175.11895,[M+H]+,30.0,test,NC(N)=NCCCC(N)C(=O)O
557520,NC(N)=NCCCC(N)C(=O)O,175.11895,[M+H]+,30.0,test,NC(N)=NCCCC(N)C(=O)O
557521,NC(N)=NCCCC(N)C(=O)O,175.11895,[M+H]+,60.0,test,NC(N)=NCCCC(N)C(=O)O
557522,NC(N)=NCCCC(N)C(=O)O,175.11895,[M+H]+,20.0,test,NC(N)=NCCCC(N)C(=O)O
557523,NC(N)=NCCCC(N)C(=O)O,175.11895,[M+H]+,30.0,test,NC(N)=NCCCC(N)C(=O)O
557524,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557525,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557526,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,60.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557527,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,30.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557528,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557529,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557530,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557531,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,60.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557532,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,15.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557533,NC(N)=NCCC[C@H](N)C(=O)O,175.11895,[M+H]+,20.0,test,NC(N)=NCCC[C@H](N)C(=O)O
557534,N#Cc1ccc(C(=O)O)s1,151.98117,[M-H]-,15.0,test,N#Cc1ccc(C(=O)O)s1
557535,N#Cc1ccc(C(=O)O)s1,151.98117,[M-H]-,15.0,test,N#Cc1ccc(C(=O)O)s1
557536,N#Cc1ccc(C(=O)O)s1,151.98117,[M-H]-,20.0,test,N#Cc1ccc(C(=O)O)s1
557537,N#Cc1ccc(C(=O)O)s1,151.98117,[M-H]-,60.0,test,N#Cc1ccc(C(=O)O)s1
557538,N#Cc1ccc(C(=O)O)s1,151.98117,[M-H]-,15.0,test,N#Cc1ccc(C(=O)O)s1
557539,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,20.0,test,N#Cc1csc(C(=O)O)c1
557540,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,20.0,test,N#Cc1csc(C(=O)O)c1
557541,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,60.0,test,N#Cc1csc(C(=O)O)c1
557542,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,15.0,test,N#Cc1csc(C(=O)O)c1
557543,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,20.0,test,N#Cc1csc(C(=O)O)c1
557544,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,20.0,test,N#Cc1csc(C(=O)O)c1
557545,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,20.0,test,N#Cc1csc(C(=O)O)c1
557546,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,60.0,test,N#Cc1csc(C(=O)O)c1
557547,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,15.0,test,N#Cc1csc(C(=O)O)c1
557548,N#Cc1csc(C(=O)O)c1,151.98117,[M-H]-,20.0,test,N#Cc1csc(C(=O)O)c1
557549,N#Cc1ccc(C(=O)O)s1,151.98117,[M-H]-,20.0,test,N#Cc1ccc(C(=O)O)s1
557550,N#Cc1ccc(C(=O)O)s1,151.98117,[M-H]-,20.0,test,N#Cc1ccc(C(=O)O)s1
557551,N#Cc1ccc(C(=O)O)s1,151.98117,[M-H]-,20.0,test,N#Cc1ccc(C(=O)O)s1
557552,Cn1c(C(=O)O)cc(Br)c1Br,279.86143,[M-H]-,20.0,test,Cn1c(C(=O)O)cc(Br)c1Br
557553,Cn1c(C(=O)O)cc(Br)c1Br,279.86143,[M-H]-,20.0,test,Cn1c(C(=O)O)cc(Br)c1Br
557554,Cn1c(C(=O)O)cc(Br)c1Br,279.86143,[M-H]-,60.0,test,Cn1c(C(=O)O)cc(Br)c1Br
557555,Cn1c(C(=O)O)cc(Br)c1Br,279.86143,[M-H]-,30.0,test,Cn1c(C(=O)O)cc(Br)c1Br
557556,Cn1c(C(=O)O)cc(Br)c1Br,279.86143,[M-H]-,20.0,test,Cn1c(C(=O)O)cc(Br)c1Br
557557,Oc1c(O)cc(Cl)cc1,142.99053,[M-H]-,20.0,test,Oc1ccc(Cl)cc1O
557558,Oc1c(O)cc(Cl)cc1,142.99053,[M-H]-,20.0,test,Oc1ccc(Cl)cc1O
557559,Oc1c(O)cc(Cl)cc1,142.99053,[M-H]-,60.0,test,Oc1ccc(Cl)cc1O
557560,Oc1c(O)cc(Cl)cc1,142.99053,[M-H]-,30.0,test,Oc1ccc(Cl)cc1O
557561,Oc1c(O)cc(Cl)cc1,142.99053,[M-H]-,20.0,test,Oc1ccc(Cl)cc1O
557562,Oc1c(O)cc(Cl)cc1,142.99053,[M-H]-,60.0,test,Oc1ccc(Cl)cc1O
557563,Oc1c(O)cc(Cl)cc1,142.99053,[M-H]-,30.0,test,Oc1ccc(Cl)cc1O
557564,Oc1c(O)cc(Cl)cc1,142.99053,[M-H]-,20.0,test,Oc1ccc(Cl)cc1O
557565,c1coc(-c2ncn[nH]2)c1,136.05054,[M+H]+,20.0,test,c1coc(-c2ncn[nH]2)c1
557566,c1coc(-c2ncn[nH]2)c1,136.05054,[M+H]+,20.0,test,c1coc(-c2ncn[nH]2)c1
557567,c1coc(-c2ncn[nH]2)c1,136.05054,[M+H]+,60.0,test,c1coc(-c2ncn[nH]2)c1
557568,c1coc(-c2ncn[nH]2)c1,136.05054,[M+H]+,20.0,test,c1coc(-c2ncn[nH]2)c1
557569,c1coc(-c2ncn[nH]2)c1,136.05054,[M+H]+,45.0,test,c1coc(-c2ncn[nH]2)c1
557570,c1coc(-c2ncn[nH]2)c1,136.05054,[M+H]+,60.0,test,c1coc(-c2ncn[nH]2)c1
557571,c1coc(-c2ncn[nH]2)c1,136.05054,[M+H]+,20.0,test,c1coc(-c2ncn[nH]2)c1
557572,c1coc(-c2ncn[nH]2)c1,136.05054,[M+H]+,45.0,test,c1coc(-c2ncn[nH]2)c1
557573,NC(=O)c1cnccc1,123.05529,[M+H]+,20.0,test,NC(=O)c1cccnc1
557574,NC(=O)c1cnccc1,123.05529,[M+H]+,20.0,test,NC(=O)c1cccnc1
557575,NC(=O)c1cnccc1,123.05529,[M+H]+,60.0,test,NC(=O)c1cccnc1
557576,NC(=O)c1cnccc1,123.05529,[M+H]+,20.0,test,NC(=O)c1cccnc1
557577,NC(=O)c1cnccc1,123.05529,[M+H]+,45.0,test,NC(=O)c1cccnc1
557578,NC(=O)c1cnccc1,123.05529,[M+H]+,20.0,test,NC(=O)c1cccnc1
557579,NC(=O)c1cnccc1,123.05529,[M+H]+,20.0,test,NC(=O)c1cccnc1
557580,NC(=O)c1cnccc1,123.05529,[M+H]+,60.0,test,NC(=O)c1cccnc1
557581,NC(=O)c1cnccc1,123.05529,[M+H]+,20.0,test,NC(=O)c1cccnc1
557582,NC(=O)c1cnccc1,123.05529,[M+H]+,45.0,test,NC(=O)c1cccnc1
557583,CC(=O)Nc1nc(C(=O)O)cs1,185.00264,[M-H]-,20.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557584,CC(=O)Nc1nc(C(=O)O)cs1,185.00264,[M-H]-,20.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557585,CC(=O)Nc1nc(C(=O)O)cs1,185.00264,[M-H]-,60.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557586,CC(=O)Nc1nc(C(=O)O)cs1,185.00264,[M-H]-,15.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557587,CC(=O)Nc1nc(C(=O)O)cs1,185.00264,[M-H]-,20.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557588,O=C(O)CNC(=O)c1cscn1,185.00264,[M-H]-,20.0,test,O=C(O)CNC(=O)c1cscn1
557589,O=C(O)CNC(=O)c1cscn1,185.00264,[M-H]-,20.0,test,O=C(O)CNC(=O)c1cscn1
557590,O=C(O)CNC(=O)c1cscn1,185.00264,[M-H]-,60.0,test,O=C(O)CNC(=O)c1cscn1
557591,O=C(O)CNC(=O)c1cscn1,185.00264,[M-H]-,30.0,test,O=C(O)CNC(=O)c1cscn1
557592,O=C(O)CNC(=O)c1cscn1,185.00264,[M-H]-,20.0,test,O=C(O)CNC(=O)c1cscn1
557593,CC(=O)Nc1nc(C(=O)O)cs1,187.01719,[M+H]+,20.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557594,CC(=O)Nc1nc(C(=O)O)cs1,187.01719,[M+H]+,20.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557595,CC(=O)Nc1nc(C(=O)O)cs1,187.01719,[M+H]+,60.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557596,CC(=O)Nc1nc(C(=O)O)cs1,187.01719,[M+H]+,20.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557597,CC(=O)Nc1nc(C(=O)O)cs1,187.01719,[M+H]+,45.0,test,CC(=O)Nc1nc(C(=O)O)cs1
557598,CCc1nocc1C(=O)O,140.03532,[M-H]-,15.0,test,CCc1nocc1C(=O)O
557599,CCc1nocc1C(=O)O,140.03532,[M-H]-,20.0,test,CCc1nocc1C(=O)O
557600,CCc1nocc1C(=O)O,140.03532,[M-H]-,60.0,test,CCc1nocc1C(=O)O
557601,CCc1nocc1C(=O)O,140.03532,[M-H]-,15.0,test,CCc1nocc1C(=O)O
557602,Cc1nocc1CC(=O)O,140.03532,[M-H]-,20.0,test,Cc1nocc1CC(=O)O
557603,Cc1nocc1CC(=O)O,140.03532,[M-H]-,20.0,test,Cc1nocc1CC(=O)O
557604,Cc1nocc1CC(=O)O,140.03532,[M-H]-,60.0,test,Cc1nocc1CC(=O)O
557605,Cc1nocc1CC(=O)O,140.03532,[M-H]-,15.0,test,Cc1nocc1CC(=O)O
557606,Cc1nocc1CC(=O)O,140.03532,[M-H]-,20.0,test,Cc1nocc1CC(=O)O
557607,CCc1c(C(=O)O)ocn1,140.03532,[M-H]-,20.0,test,CCc1ncoc1C(=O)O
557608,CCc1c(C(=O)O)ocn1,140.03532,[M-H]-,20.0,test,CCc1ncoc1C(=O)O
557609,CCc1c(C(=O)O)ocn1,140.03532,[M-H]-,60.0,test,CCc1ncoc1C(=O)O
557610,CCc1c(C(=O)O)ocn1,140.03532,[M-H]-,15.0,test,CCc1ncoc1C(=O)O
557611,CCc1c(C(=O)O)ocn1,140.03532,[M-H]-,20.0,test,CCc1ncoc1C(=O)O
557612,CCc1c(C(=O)O)cno1,140.03532,[M-H]-,20.0,test,CCc1oncc1C(=O)O
557613,CCc1c(C(=O)O)cno1,140.03532,[M-H]-,20.0,test,CCc1oncc1C(=O)O
557614,CCc1c(C(=O)O)cno1,140.03532,[M-H]-,60.0,test,CCc1oncc1C(=O)O
557615,CCc1c(C(=O)O)cno1,140.03532,[M-H]-,15.0,test,CCc1oncc1C(=O)O
557616,CCc1c(C(=O)O)cno1,140.03532,[M-H]-,20.0,test,CCc1oncc1C(=O)O
557617,Cc1noc(C(=O)O)c1C,140.03532,[M-H]-,20.0,test,Cc1noc(C(=O)O)c1C
557618,Cc1noc(C(=O)O)c1C,140.03532,[M-H]-,15.0,test,Cc1noc(C(=O)O)c1C
557619,Cc1noc(C(=O)O)c1C,140.03532,[M-H]-,60.0,test,Cc1noc(C(=O)O)c1C
557620,Cc1noc(C(=O)O)c1C,140.03532,[M-H]-,20.0,test,Cc1noc(C(=O)O)c1C
557621,O=C(O)CCc1cnco1,142.04987,[M+H]+,20.0,test,O=C(O)CCc1cnco1
557622,O=C(O)CCc1cnco1,142.04987,[M+H]+,20.0,test,O=C(O)CCc1cnco1
557623,O=C(O)CCc1cnco1,142.04987,[M+H]+,60.0,test,O=C(O)CCc1cnco1
557624,O=C(O)CCc1cnco1,142.04987,[M+H]+,30.0,test,O=C(O)CCc1cnco1
557625,O=C(O)CCc1cnco1,142.04987,[M+H]+,20.0,test,O=C(O)CCc1cnco1
557626,CCc1nc(C(=O)O)co1,142.04987,[M+H]+,20.0,test,CCc1nc(C(=O)O)co1
557627,CCc1nc(C(=O)O)co1,142.04987,[M+H]+,20.0,test,CCc1nc(C(=O)O)co1
557628,CCc1nc(C(=O)O)co1,142.04987,[M+H]+,60.0,test,CCc1nc(C(=O)O)co1
557629,CCc1nc(C(=O)O)co1,142.04987,[M+H]+,20.0,test,CCc1nc(C(=O)O)co1
557630,CCc1nc(C(=O)O)co1,142.04987,[M+H]+,45.0,test,CCc1nc(C(=O)O)co1
557631,C[S+]([O-])/C=C/CCN=C=S,176.01983,[M+H]+,30.0,test,C[S+]([O-])/C=C/CCN=C=S
557632,C[S+]([O-])/C=C/CCN=C=S,176.01983,[M+H]+,30.0,test,C[S+]([O-])/C=C/CCN=C=S
557633,C[S+]([O-])/C=C/CCN=C=S,176.01983,[M+H]+,20.0,test,C[S+]([O-])/C=C/CCN=C=S
557634,C[S+]([O-])/C=C/CCN=C=S,176.01983,[M+H]+,60.0,test,C[S+]([O-])/C=C/CCN=C=S
557635,C[S+]([O-])/C=C/CCN=C=S,176.01983,[M+H]+,30.0,test,C[S+]([O-])/C=C/CCN=C=S
557636,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O,1466.75258,[M+NH4]+,20.0,test,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O
557637,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O,1466.75258,[M+NH4]+,20.0,test,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O
557638,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O,1466.75258,[M+NH4]+,60.0,test,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O
557639,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O,1466.75258,[M+NH4]+,15.0,test,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O
557640,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O,1466.75258,[M+NH4]+,20.0,test,C=CC(C)(O)CC/C=C(\C)C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C1O
557641,CC(C)c1cc(C(=O)O)n[nH]1,153.06695,[M-H]-,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557642,CC(C)c1cc(C(=O)O)n[nH]1,153.06695,[M-H]-,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557643,CC(C)c1cc(C(=O)O)n[nH]1,153.06695,[M-H]-,60.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557644,CC(C)c1cc(C(=O)O)n[nH]1,153.06695,[M-H]-,15.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557645,CC(C)c1cc(C(=O)O)n[nH]1,153.06695,[M-H]-,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557646,CCn1nc(C)cc1C(=O)O,153.06695,[M-H]-,20.0,test,CCn1nc(C)cc1C(=O)O
557647,CCn1nc(C)cc1C(=O)O,153.06695,[M-H]-,20.0,test,CCn1nc(C)cc1C(=O)O
557648,CCn1nc(C)cc1C(=O)O,153.06695,[M-H]-,60.0,test,CCn1nc(C)cc1C(=O)O
557649,CCn1nc(C)cc1C(=O)O,153.06695,[M-H]-,15.0,test,CCn1nc(C)cc1C(=O)O
557650,CCn1nc(C)cc1C(=O)O,153.06695,[M-H]-,20.0,test,CCn1nc(C)cc1C(=O)O
557651,Cc1cn(C(C)C(=O)O)nc1,153.06695,[M-H]-,20.0,test,Cc1cnn(C(C)C(=O)O)c1
557652,Cc1cn(C(C)C(=O)O)nc1,153.06695,[M-H]-,30.0,test,Cc1cnn(C(C)C(=O)O)c1
557653,Cc1cn(C(C)C(=O)O)nc1,153.06695,[M-H]-,20.0,test,Cc1cnn(C(C)C(=O)O)c1
557654,CC(Cc1cnc[nH]1)C(=O)O,153.06695,[M-H]-,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557655,CC(Cc1cnc[nH]1)C(=O)O,153.06695,[M-H]-,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557656,CC(Cc1cnc[nH]1)C(=O)O,153.06695,[M-H]-,60.0,test,CC(Cc1cnc[nH]1)C(=O)O
557657,CC(Cc1cnc[nH]1)C(=O)O,153.06695,[M-H]-,30.0,test,CC(Cc1cnc[nH]1)C(=O)O
557658,CC(Cc1cnc[nH]1)C(=O)O,153.06695,[M-H]-,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557659,CC(Cc1cnc[nH]1)C(=O)O,189.04363,[M+Cl]-,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557660,CC(Cc1cnc[nH]1)C(=O)O,189.04363,[M+Cl]-,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557661,CC(Cc1cnc[nH]1)C(=O)O,189.04363,[M+Cl]-,30.0,test,CC(Cc1cnc[nH]1)C(=O)O
557662,CC(Cc1cnc[nH]1)C(=O)O,189.04363,[M+Cl]-,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557663,CC(C)(C(=O)O)n1cccn1,153.06695,[M-H]-,20.0,test,CC(C)(C(=O)O)n1cccn1
557664,CC(C)(C(=O)O)n1cccn1,153.06695,[M-H]-,30.0,test,CC(C)(C(=O)O)n1cccn1
557665,CC(C)(C(=O)O)n1cccn1,153.06695,[M-H]-,20.0,test,CC(C)(C(=O)O)n1cccn1
557666,CC(C)n1nccc1C(=O)O,153.06695,[M-H]-,20.0,test,CC(C)n1nccc1C(=O)O
557667,CC(C)n1nccc1C(=O)O,153.06695,[M-H]-,20.0,test,CC(C)n1nccc1C(=O)O
557668,CC(C)n1nccc1C(=O)O,153.06695,[M-H]-,60.0,test,CC(C)n1nccc1C(=O)O
557669,CC(C)n1nccc1C(=O)O,153.06695,[M-H]-,15.0,test,CC(C)n1nccc1C(=O)O
557670,CC(C)n1nccc1C(=O)O,153.06695,[M-H]-,20.0,test,CC(C)n1nccc1C(=O)O
557671,CCC(C(=O)O)n1cccn1,153.06695,[M-H]-,20.0,test,CCC(C(=O)O)n1cccn1
557672,CCC(C(=O)O)n1cccn1,153.06695,[M-H]-,60.0,test,CCC(C(=O)O)n1cccn1
557673,CCC(C(=O)O)n1cccn1,153.06695,[M-H]-,30.0,test,CCC(C(=O)O)n1cccn1
557674,CCC(C(=O)O)n1cccn1,153.06695,[M-H]-,20.0,test,CCC(C(=O)O)n1cccn1
557675,CCn1nc(C)cc1C(=O)O,155.0815,[M+H]+,20.0,test,CCn1nc(C)cc1C(=O)O
557676,CCn1nc(C)cc1C(=O)O,155.0815,[M+H]+,20.0,test,CCn1nc(C)cc1C(=O)O
557677,CCn1nc(C)cc1C(=O)O,155.0815,[M+H]+,60.0,test,CCn1nc(C)cc1C(=O)O
557678,CCn1nc(C)cc1C(=O)O,155.0815,[M+H]+,30.0,test,CCn1nc(C)cc1C(=O)O
557679,CCn1nc(C)cc1C(=O)O,155.0815,[M+H]+,20.0,test,CCn1nc(C)cc1C(=O)O
557680,CCn1nc(C)cc1C(=O)O,155.0815,[M+H]+,60.0,test,CCn1nc(C)cc1C(=O)O
557681,CCn1nc(C)cc1C(=O)O,155.0815,[M+H]+,30.0,test,CCn1nc(C)cc1C(=O)O
557682,CCn1nc(C)cc1C(=O)O,155.0815,[M+H]+,20.0,test,CCn1nc(C)cc1C(=O)O
557683,CCC(C(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CCC(C(=O)O)n1cccn1
557684,CCC(C(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CCC(C(=O)O)n1cccn1
557685,CCC(C(=O)O)n1cccn1,155.0815,[M+H]+,60.0,test,CCC(C(=O)O)n1cccn1
557686,CCC(C(=O)O)n1cccn1,155.0815,[M+H]+,30.0,test,CCC(C(=O)O)n1cccn1
557687,CCC(C(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CCC(C(=O)O)n1cccn1
557688,CCC(C(=O)O)n1cccn1,155.0815,[M+H]+,60.0,test,CCC(C(=O)O)n1cccn1
557689,CCC(C(=O)O)n1cccn1,155.0815,[M+H]+,30.0,test,CCC(C(=O)O)n1cccn1
557690,CCC(C(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CCC(C(=O)O)n1cccn1
557691,CC(C)n1ccc(C(=O)O)n1,155.0815,[M+H]+,20.0,test,CC(C)n1ccc(C(=O)O)n1
557692,CC(C)n1ccc(C(=O)O)n1,155.0815,[M+H]+,20.0,test,CC(C)n1ccc(C(=O)O)n1
557693,CC(C)n1ccc(C(=O)O)n1,155.0815,[M+H]+,30.0,test,CC(C)n1ccc(C(=O)O)n1
557694,CC(C)n1ccc(C(=O)O)n1,155.0815,[M+H]+,60.0,test,CC(C)n1ccc(C(=O)O)n1
557695,CC(C)n1ccc(C(=O)O)n1,155.0815,[M+H]+,15.0,test,CC(C)n1ccc(C(=O)O)n1
557696,CC(C)n1ccc(C(=O)O)n1,155.0815,[M+H]+,20.0,test,CC(C)n1ccc(C(=O)O)n1
557697,CC(C)n1ccc(C(=O)O)n1,155.0815,[M+H]+,60.0,test,CC(C)n1ccc(C(=O)O)n1
557698,CC(C)n1ccc(C(=O)O)n1,155.0815,[M+H]+,20.0,test,CC(C)n1ccc(C(=O)O)n1
557699,Cc1c(CC(=O)O)cnn1C,155.0815,[M+H]+,30.0,test,Cc1c(CC(=O)O)cnn1C
557700,Cc1c(CC(=O)O)cnn1C,155.0815,[M+H]+,30.0,test,Cc1c(CC(=O)O)cnn1C
557701,Cc1c(CC(=O)O)cnn1C,155.0815,[M+H]+,60.0,test,Cc1c(CC(=O)O)cnn1C
557702,Cc1c(CC(=O)O)cnn1C,155.0815,[M+H]+,20.0,test,Cc1c(CC(=O)O)cnn1C
557703,Cc1c(CC(=O)O)cnn1C,155.0815,[M+H]+,30.0,test,Cc1c(CC(=O)O)cnn1C
557704,Cc1c(CC(=O)O)cnn1C,155.0815,[M+H]+,60.0,test,Cc1c(CC(=O)O)cnn1C
557705,Cc1c(CC(=O)O)cnn1C,155.0815,[M+H]+,20.0,test,Cc1c(CC(=O)O)cnn1C
557706,Cc1c(CC(=O)O)cnn1C,155.0815,[M+H]+,30.0,test,Cc1c(CC(=O)O)cnn1C
557707,CC(C)c1cc(C(=O)O)n[nH]1,137.07094,[M+H-H2O]+,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557708,CC(C)c1cc(C(=O)O)n[nH]1,137.07094,[M+H-H2O]+,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557709,CC(C)c1cc(C(=O)O)n[nH]1,137.07094,[M+H-H2O]+,60.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557710,CC(C)c1cc(C(=O)O)n[nH]1,137.07094,[M+H-H2O]+,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557711,CC(C)c1cc(C(=O)O)n[nH]1,137.07094,[M+H-H2O]+,45.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557712,CC(C)c1cc(C(=O)O)n[nH]1,155.0815,[M+H]+,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557713,CC(C)c1cc(C(=O)O)n[nH]1,155.0815,[M+H]+,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557714,CC(C)c1cc(C(=O)O)n[nH]1,155.0815,[M+H]+,60.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557715,CC(C)c1cc(C(=O)O)n[nH]1,155.0815,[M+H]+,30.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557716,CC(C)c1cc(C(=O)O)n[nH]1,155.0815,[M+H]+,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557717,CC(C)c1cc(C(=O)O)n[nH]1,155.0815,[M+H]+,45.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557718,CC(C)c1cc(C(=O)O)n[nH]1,155.0815,[M+H]+,60.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557719,CC(C)c1cc(C(=O)O)n[nH]1,155.0815,[M+H]+,20.0,test,CC(C)c1cc(C(=O)O)n[nH]1
557720,CC(C)(C(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CC(C)(C(=O)O)n1cccn1
557721,CC(C)(C(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CC(C)(C(=O)O)n1cccn1
557722,CC(C)(C(=O)O)n1cccn1,155.0815,[M+H]+,30.0,test,CC(C)(C(=O)O)n1cccn1
557723,CC(C)(C(=O)O)n1cccn1,155.0815,[M+H]+,60.0,test,CC(C)(C(=O)O)n1cccn1
557724,CC(C)(C(=O)O)n1cccn1,155.0815,[M+H]+,15.0,test,CC(C)(C(=O)O)n1cccn1
557725,CC(C)(C(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CC(C)(C(=O)O)n1cccn1
557726,CC(C)(C(=O)O)n1cccn1,155.0815,[M+H]+,60.0,test,CC(C)(C(=O)O)n1cccn1
557727,CC(C)(C(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CC(C)(C(=O)O)n1cccn1
557728,Cc1cn(C(C)C(=O)O)nc1,155.0815,[M+H]+,20.0,test,Cc1cnn(C(C)C(=O)O)c1
557729,Cc1cn(C(C)C(=O)O)nc1,155.0815,[M+H]+,20.0,test,Cc1cnn(C(C)C(=O)O)c1
557730,Cc1cn(C(C)C(=O)O)nc1,155.0815,[M+H]+,60.0,test,Cc1cnn(C(C)C(=O)O)c1
557731,Cc1cn(C(C)C(=O)O)nc1,155.0815,[M+H]+,30.0,test,Cc1cnn(C(C)C(=O)O)c1
557732,Cc1cn(C(C)C(=O)O)nc1,155.0815,[M+H]+,20.0,test,Cc1cnn(C(C)C(=O)O)c1
557733,Cc1cn(C(C)C(=O)O)nc1,155.0815,[M+H]+,60.0,test,Cc1cnn(C(C)C(=O)O)c1
557734,Cc1cn(C(C)C(=O)O)nc1,155.0815,[M+H]+,30.0,test,Cc1cnn(C(C)C(=O)O)c1
557735,Cc1cn(C(C)C(=O)O)nc1,155.0815,[M+H]+,20.0,test,Cc1cnn(C(C)C(=O)O)c1
557736,CC(C(=O)O)c1cn(C)nc1,155.0815,[M+H]+,30.0,test,CC(C(=O)O)c1cnn(C)c1
557737,CC(C(=O)O)c1cn(C)nc1,155.0815,[M+H]+,30.0,test,CC(C(=O)O)c1cnn(C)c1
557738,CC(C(=O)O)c1cn(C)nc1,155.0815,[M+H]+,20.0,test,CC(C(=O)O)c1cnn(C)c1
557739,CC(C(=O)O)c1cn(C)nc1,155.0815,[M+H]+,60.0,test,CC(C(=O)O)c1cnn(C)c1
557740,CC(C(=O)O)c1cn(C)nc1,155.0815,[M+H]+,30.0,test,CC(C(=O)O)c1cnn(C)c1
557741,CC(C(=O)O)c1cn(C)nc1,155.0815,[M+H]+,20.0,test,CC(C(=O)O)c1cnn(C)c1
557742,CC(C(=O)O)c1cn(C)nc1,155.0815,[M+H]+,60.0,test,CC(C(=O)O)c1cnn(C)c1
557743,CC(C(=O)O)c1cn(C)nc1,155.0815,[M+H]+,30.0,test,CC(C(=O)O)c1cnn(C)c1
557744,Cc1ccnn1C(C)C(=O)O,155.0815,[M+H]+,20.0,test,Cc1ccnn1C(C)C(=O)O
557745,Cc1ccnn1C(C)C(=O)O,155.0815,[M+H]+,20.0,test,Cc1ccnn1C(C)C(=O)O
557746,Cc1ccnn1C(C)C(=O)O,155.0815,[M+H]+,30.0,test,Cc1ccnn1C(C)C(=O)O
557747,Cc1ccnn1C(C)C(=O)O,155.0815,[M+H]+,60.0,test,Cc1ccnn1C(C)C(=O)O
557748,Cc1ccnn1C(C)C(=O)O,155.0815,[M+H]+,15.0,test,Cc1ccnn1C(C)C(=O)O
557749,Cc1ccnn1C(C)C(=O)O,155.0815,[M+H]+,20.0,test,Cc1ccnn1C(C)C(=O)O
557750,Cc1ccnn1C(C)C(=O)O,155.0815,[M+H]+,60.0,test,Cc1ccnn1C(C)C(=O)O
557751,Cc1ccnn1C(C)C(=O)O,155.0815,[M+H]+,20.0,test,Cc1ccnn1C(C)C(=O)O
557752,CCc1c(C(=O)O)cnn1C,155.0815,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1C
557753,CCc1c(C(=O)O)cnn1C,155.0815,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1C
557754,CCc1c(C(=O)O)cnn1C,155.0815,[M+H]+,60.0,test,CCc1c(C(=O)O)cnn1C
557755,CCc1c(C(=O)O)cnn1C,155.0815,[M+H]+,30.0,test,CCc1c(C(=O)O)cnn1C
557756,CCc1c(C(=O)O)cnn1C,155.0815,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1C
557757,CCc1c(C(=O)O)cnn1C,155.0815,[M+H]+,60.0,test,CCc1c(C(=O)O)cnn1C
557758,CCc1c(C(=O)O)cnn1C,155.0815,[M+H]+,30.0,test,CCc1c(C(=O)O)cnn1C
557759,CCc1c(C(=O)O)cnn1C,155.0815,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1C
557760,Cn1ccc(CCC(=O)O)n1,137.07094,[M+H-H2O]+,20.0,test,Cn1ccc(CCC(=O)O)n1
557761,Cn1ccc(CCC(=O)O)n1,137.07094,[M+H-H2O]+,20.0,test,Cn1ccc(CCC(=O)O)n1
557762,Cn1ccc(CCC(=O)O)n1,137.07094,[M+H-H2O]+,60.0,test,Cn1ccc(CCC(=O)O)n1
557763,Cn1ccc(CCC(=O)O)n1,137.07094,[M+H-H2O]+,30.0,test,Cn1ccc(CCC(=O)O)n1
557764,Cn1ccc(CCC(=O)O)n1,137.07094,[M+H-H2O]+,20.0,test,Cn1ccc(CCC(=O)O)n1
557765,Cn1ccc(CCC(=O)O)n1,155.0815,[M+H]+,20.0,test,Cn1ccc(CCC(=O)O)n1
557766,Cn1ccc(CCC(=O)O)n1,155.0815,[M+H]+,20.0,test,Cn1ccc(CCC(=O)O)n1
557767,Cn1ccc(CCC(=O)O)n1,155.0815,[M+H]+,60.0,test,Cn1ccc(CCC(=O)O)n1
557768,Cn1ccc(CCC(=O)O)n1,155.0815,[M+H]+,15.0,test,Cn1ccc(CCC(=O)O)n1
557769,Cn1ccc(CCC(=O)O)n1,155.0815,[M+H]+,20.0,test,Cn1ccc(CCC(=O)O)n1
557770,Cn1ccc(CCC(=O)O)n1,155.0815,[M+H]+,60.0,test,Cn1ccc(CCC(=O)O)n1
557771,Cn1ccc(CCC(=O)O)n1,155.0815,[M+H]+,15.0,test,Cn1ccc(CCC(=O)O)n1
557772,Cn1ccc(CCC(=O)O)n1,155.0815,[M+H]+,20.0,test,Cn1ccc(CCC(=O)O)n1
557773,CCn1cc(CC(=O)O)cn1,155.0815,[M+H]+,20.0,test,CCn1cc(CC(=O)O)cn1
557774,CCn1cc(CC(=O)O)cn1,155.0815,[M+H]+,20.0,test,CCn1cc(CC(=O)O)cn1
557775,CCn1cc(CC(=O)O)cn1,155.0815,[M+H]+,30.0,test,CCn1cc(CC(=O)O)cn1
557776,CCn1cc(CC(=O)O)cn1,155.0815,[M+H]+,60.0,test,CCn1cc(CC(=O)O)cn1
557777,CCn1cc(CC(=O)O)cn1,155.0815,[M+H]+,20.0,test,CCn1cc(CC(=O)O)cn1
557778,CCn1cc(CC(=O)O)cn1,155.0815,[M+H]+,45.0,test,CCn1cc(CC(=O)O)cn1
557779,CCn1cc(CC(=O)O)cn1,155.0815,[M+H]+,60.0,test,CCn1cc(CC(=O)O)cn1
557780,CCn1cc(CC(=O)O)cn1,155.0815,[M+H]+,20.0,test,CCn1cc(CC(=O)O)cn1
557781,CC(C)n1cc(C(=O)O)cn1,155.0815,[M+H]+,20.0,test,CC(C)n1cc(C(=O)O)cn1
557782,CC(C)n1cc(C(=O)O)cn1,155.0815,[M+H]+,20.0,test,CC(C)n1cc(C(=O)O)cn1
557783,CC(C)n1cc(C(=O)O)cn1,155.0815,[M+H]+,60.0,test,CC(C)n1cc(C(=O)O)cn1
557784,CC(C)n1cc(C(=O)O)cn1,155.0815,[M+H]+,30.0,test,CC(C)n1cc(C(=O)O)cn1
557785,CC(C)n1cc(C(=O)O)cn1,155.0815,[M+H]+,20.0,test,CC(C)n1cc(C(=O)O)cn1
557786,CC(C(=O)O)c1ccnn1C,155.0815,[M+H]+,20.0,test,CC(C(=O)O)c1ccnn1C
557787,CC(C(=O)O)c1ccnn1C,155.0815,[M+H]+,20.0,test,CC(C(=O)O)c1ccnn1C
557788,CC(C(=O)O)c1ccnn1C,155.0815,[M+H]+,60.0,test,CC(C(=O)O)c1ccnn1C
557789,CC(C(=O)O)c1ccnn1C,155.0815,[M+H]+,30.0,test,CC(C(=O)O)c1ccnn1C
557790,CC(C(=O)O)c1ccnn1C,155.0815,[M+H]+,20.0,test,CC(C(=O)O)c1ccnn1C
557791,CC(C(=O)O)c1ccnn1C,155.0815,[M+H]+,60.0,test,CC(C(=O)O)c1ccnn1C
557792,CC(C(=O)O)c1ccnn1C,155.0815,[M+H]+,30.0,test,CC(C(=O)O)c1ccnn1C
557793,CC(C(=O)O)c1ccnn1C,155.0815,[M+H]+,20.0,test,CC(C(=O)O)c1ccnn1C
557794,CC(C)n1ccnc1C(=O)O,155.0815,[M+H]+,20.0,test,CC(C)n1ccnc1C(=O)O
557795,CC(C)n1ccnc1C(=O)O,155.0815,[M+H]+,20.0,test,CC(C)n1ccnc1C(=O)O
557796,CC(C)n1ccnc1C(=O)O,155.0815,[M+H]+,60.0,test,CC(C)n1ccnc1C(=O)O
557797,CC(C)n1ccnc1C(=O)O,155.0815,[M+H]+,30.0,test,CC(C)n1ccnc1C(=O)O
557798,CC(C)n1ccnc1C(=O)O,155.0815,[M+H]+,20.0,test,CC(C)n1ccnc1C(=O)O
557799,Cn1nccc1CCC(=O)O,155.0815,[M+H]+,20.0,test,Cn1nccc1CCC(=O)O
557800,Cn1nccc1CCC(=O)O,155.0815,[M+H]+,20.0,test,Cn1nccc1CCC(=O)O
557801,Cn1nccc1CCC(=O)O,155.0815,[M+H]+,60.0,test,Cn1nccc1CCC(=O)O
557802,Cn1nccc1CCC(=O)O,155.0815,[M+H]+,30.0,test,Cn1nccc1CCC(=O)O
557803,Cn1nccc1CCC(=O)O,155.0815,[M+H]+,20.0,test,Cn1nccc1CCC(=O)O
557804,Cn1nccc1CCC(=O)O,155.0815,[M+H]+,60.0,test,Cn1nccc1CCC(=O)O
557805,Cn1nccc1CCC(=O)O,155.0815,[M+H]+,30.0,test,Cn1nccc1CCC(=O)O
557806,Cn1nccc1CCC(=O)O,155.0815,[M+H]+,20.0,test,Cn1nccc1CCC(=O)O
557807,CC(Cc1cnc[nH]1)C(=O)O,137.07094,[M+H-H2O]+,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557808,CC(Cc1cnc[nH]1)C(=O)O,137.07094,[M+H-H2O]+,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557809,CC(Cc1cnc[nH]1)C(=O)O,137.07094,[M+H-H2O]+,60.0,test,CC(Cc1cnc[nH]1)C(=O)O
557810,CC(Cc1cnc[nH]1)C(=O)O,137.07094,[M+H-H2O]+,30.0,test,CC(Cc1cnc[nH]1)C(=O)O
557811,CC(Cc1cnc[nH]1)C(=O)O,137.07094,[M+H-H2O]+,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557812,CC(Cc1cnc[nH]1)C(=O)O,155.0815,[M+H]+,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557813,CC(Cc1cnc[nH]1)C(=O)O,155.0815,[M+H]+,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557814,CC(Cc1cnc[nH]1)C(=O)O,155.0815,[M+H]+,60.0,test,CC(Cc1cnc[nH]1)C(=O)O
557815,CC(Cc1cnc[nH]1)C(=O)O,155.0815,[M+H]+,30.0,test,CC(Cc1cnc[nH]1)C(=O)O
557816,CC(Cc1cnc[nH]1)C(=O)O,155.0815,[M+H]+,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557817,CC(Cc1cnc[nH]1)C(=O)O,155.0815,[M+H]+,60.0,test,CC(Cc1cnc[nH]1)C(=O)O
557818,CC(Cc1cnc[nH]1)C(=O)O,155.0815,[M+H]+,30.0,test,CC(Cc1cnc[nH]1)C(=O)O
557819,CC(Cc1cnc[nH]1)C(=O)O,155.0815,[M+H]+,20.0,test,CC(Cc1cnc[nH]1)C(=O)O
557820,Cc1n[nH]c(C)c1CC(=O)O,155.0815,[M+H]+,30.0,test,Cc1n[nH]c(C)c1CC(=O)O
557821,Cc1n[nH]c(C)c1CC(=O)O,155.0815,[M+H]+,30.0,test,Cc1n[nH]c(C)c1CC(=O)O
557822,Cc1n[nH]c(C)c1CC(=O)O,155.0815,[M+H]+,60.0,test,Cc1n[nH]c(C)c1CC(=O)O
557823,Cc1n[nH]c(C)c1CC(=O)O,155.0815,[M+H]+,20.0,test,Cc1n[nH]c(C)c1CC(=O)O
557824,Cc1n[nH]c(C)c1CC(=O)O,155.0815,[M+H]+,30.0,test,Cc1n[nH]c(C)c1CC(=O)O
557825,Cc1n[nH]c(C)c1CC(=O)O,155.0815,[M+H]+,60.0,test,Cc1n[nH]c(C)c1CC(=O)O
557826,Cc1n[nH]c(C)c1CC(=O)O,155.0815,[M+H]+,20.0,test,Cc1n[nH]c(C)c1CC(=O)O
557827,Cc1n[nH]c(C)c1CC(=O)O,155.0815,[M+H]+,30.0,test,Cc1n[nH]c(C)c1CC(=O)O
557828,CCCn1cc(C(=O)O)cn1,155.0815,[M+H]+,20.0,test,CCCn1cc(C(=O)O)cn1
557829,CCCn1cc(C(=O)O)cn1,155.0815,[M+H]+,20.0,test,CCCn1cc(C(=O)O)cn1
557830,CCCn1cc(C(=O)O)cn1,155.0815,[M+H]+,60.0,test,CCCn1cc(C(=O)O)cn1
557831,CCCn1cc(C(=O)O)cn1,155.0815,[M+H]+,30.0,test,CCCn1cc(C(=O)O)cn1
557832,CCCn1cc(C(=O)O)cn1,155.0815,[M+H]+,20.0,test,CCCn1cc(C(=O)O)cn1
557833,CCCn1cc(C(=O)O)cn1,155.0815,[M+H]+,60.0,test,CCCn1cc(C(=O)O)cn1
557834,CCCn1cc(C(=O)O)cn1,155.0815,[M+H]+,30.0,test,CCCn1cc(C(=O)O)cn1
557835,CCCn1cc(C(=O)O)cn1,155.0815,[M+H]+,20.0,test,CCCn1cc(C(=O)O)cn1
557836,CCn1nc(C(=O)O)cc1C,137.07094,[M+H-H2O]+,20.0,test,CCn1nc(C(=O)O)cc1C
557837,CCn1nc(C(=O)O)cc1C,137.07094,[M+H-H2O]+,20.0,test,CCn1nc(C(=O)O)cc1C
557838,CCn1nc(C(=O)O)cc1C,137.07094,[M+H-H2O]+,60.0,test,CCn1nc(C(=O)O)cc1C
557839,CCn1nc(C(=O)O)cc1C,137.07094,[M+H-H2O]+,30.0,test,CCn1nc(C(=O)O)cc1C
557840,CCn1nc(C(=O)O)cc1C,137.07094,[M+H-H2O]+,20.0,test,CCn1nc(C(=O)O)cc1C
557841,CCn1nc(C(=O)O)cc1C,155.0815,[M+H]+,20.0,test,CCn1nc(C(=O)O)cc1C
557842,CCn1nc(C(=O)O)cc1C,155.0815,[M+H]+,20.0,test,CCn1nc(C(=O)O)cc1C
557843,CCn1nc(C(=O)O)cc1C,155.0815,[M+H]+,60.0,test,CCn1nc(C(=O)O)cc1C
557844,CCn1nc(C(=O)O)cc1C,155.0815,[M+H]+,15.0,test,CCn1nc(C(=O)O)cc1C
557845,CCn1nc(C(=O)O)cc1C,155.0815,[M+H]+,20.0,test,CCn1nc(C(=O)O)cc1C
557846,CCn1nc(C(=O)O)cc1C,155.0815,[M+H]+,45.0,test,CCn1nc(C(=O)O)cc1C
557847,CCn1nc(C(=O)O)cc1C,155.0815,[M+H]+,60.0,test,CCn1nc(C(=O)O)cc1C
557848,CCn1nc(C(=O)O)cc1C,155.0815,[M+H]+,20.0,test,CCn1nc(C(=O)O)cc1C
557849,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,20.0,test,CCc1nn(C)cc1C(=O)O
557850,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,20.0,test,CCc1nn(C)cc1C(=O)O
557851,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,30.0,test,CCc1nn(C)cc1C(=O)O
557852,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,60.0,test,CCc1nn(C)cc1C(=O)O
557853,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,20.0,test,CCc1nn(C)cc1C(=O)O
557854,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,45.0,test,CCc1nn(C)cc1C(=O)O
557855,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,30.0,test,CCc1nn(C)cc1C(=O)O
557856,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,60.0,test,CCc1nn(C)cc1C(=O)O
557857,CCc1nn(C)cc1C(=O)O,155.0815,[M+H]+,20.0,test,CCc1nn(C)cc1C(=O)O
557858,Cc1nn(CC(=O)O)c(C)c1,155.0815,[M+H]+,20.0,test,Cc1cc(C)n(CC(=O)O)n1
557859,Cc1nn(CC(=O)O)c(C)c1,155.0815,[M+H]+,20.0,test,Cc1cc(C)n(CC(=O)O)n1
557860,Cc1nn(CC(=O)O)c(C)c1,155.0815,[M+H]+,60.0,test,Cc1cc(C)n(CC(=O)O)n1
557861,Cc1nn(CC(=O)O)c(C)c1,155.0815,[M+H]+,30.0,test,Cc1cc(C)n(CC(=O)O)n1
557862,Cc1nn(CC(=O)O)c(C)c1,155.0815,[M+H]+,20.0,test,Cc1cc(C)n(CC(=O)O)n1
557863,Cc1nn(CC(=O)O)c(C)c1,155.0815,[M+H]+,60.0,test,Cc1cc(C)n(CC(=O)O)n1
557864,Cc1nn(CC(=O)O)c(C)c1,155.0815,[M+H]+,30.0,test,Cc1cc(C)n(CC(=O)O)n1
557865,Cc1nn(CC(=O)O)c(C)c1,155.0815,[M+H]+,20.0,test,Cc1cc(C)n(CC(=O)O)n1
557866,CCn1cc(C(=O)O)c(C)n1,155.0815,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(C)n1
557867,CCn1cc(C(=O)O)c(C)n1,155.0815,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(C)n1
557868,CCn1cc(C(=O)O)c(C)n1,155.0815,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(C)n1
557869,CCn1cc(C(=O)O)c(C)n1,155.0815,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(C)n1
557870,CCn1cc(C(=O)O)c(C)n1,155.0815,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(C)n1
557871,CCn1cc(C(=O)O)c(C)n1,155.0815,[M+H]+,20.0,test,CCn1cc(C(=O)O)c(C)n1
557872,CCn1cc(C(=O)O)c(C)n1,155.0815,[M+H]+,60.0,test,CCn1cc(C(=O)O)c(C)n1
557873,CCn1cc(C(=O)O)c(C)n1,155.0815,[M+H]+,30.0,test,CCn1cc(C(=O)O)c(C)n1
557874,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,30.0,test,CC(C)n1nccc1C(=O)O
557875,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,30.0,test,CC(C)n1nccc1C(=O)O
557876,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,15.0,test,CC(C)n1nccc1C(=O)O
557877,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,60.0,test,CC(C)n1nccc1C(=O)O
557878,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,20.0,test,CC(C)n1nccc1C(=O)O
557879,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,30.0,test,CC(C)n1nccc1C(=O)O
557880,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,60.0,test,CC(C)n1nccc1C(=O)O
557881,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,20.0,test,CC(C)n1nccc1C(=O)O
557882,CC(C)n1nccc1C(=O)O,155.0815,[M+H]+,30.0,test,CC(C)n1nccc1C(=O)O
557883,CCc1cc(C(=O)O)nn1C,137.07094,[M+H-H2O]+,20.0,test,CCc1cc(C(=O)O)nn1C
557884,CCc1cc(C(=O)O)nn1C,137.07094,[M+H-H2O]+,20.0,test,CCc1cc(C(=O)O)nn1C
557885,CCc1cc(C(=O)O)nn1C,137.07094,[M+H-H2O]+,60.0,test,CCc1cc(C(=O)O)nn1C
557886,CCc1cc(C(=O)O)nn1C,137.07094,[M+H-H2O]+,20.0,test,CCc1cc(C(=O)O)nn1C
557887,CCc1cc(C(=O)O)nn1C,137.07094,[M+H-H2O]+,45.0,test,CCc1cc(C(=O)O)nn1C
557888,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,30.0,test,CCc1cc(C(=O)O)nn1C
557889,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,30.0,test,CCc1cc(C(=O)O)nn1C
557890,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,60.0,test,CCc1cc(C(=O)O)nn1C
557891,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,20.0,test,CCc1cc(C(=O)O)nn1C
557892,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,30.0,test,CCc1cc(C(=O)O)nn1C
557893,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,45.0,test,CCc1cc(C(=O)O)nn1C
557894,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,60.0,test,CCc1cc(C(=O)O)nn1C
557895,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,20.0,test,CCc1cc(C(=O)O)nn1C
557896,CCc1cc(C(=O)O)nn1C,155.0815,[M+H]+,45.0,test,CCc1cc(C(=O)O)nn1C
557897,CCc1cc(C(=O)O)nn1C,177.06345,[M+Na]+,20.0,test,CCc1cc(C(=O)O)nn1C
557898,CCc1cc(C(=O)O)nn1C,177.06345,[M+Na]+,20.0,test,CCc1cc(C(=O)O)nn1C
557899,CCc1cc(C(=O)O)nn1C,177.06345,[M+Na]+,60.0,test,CCc1cc(C(=O)O)nn1C
557900,CCc1cc(C(=O)O)nn1C,177.06345,[M+Na]+,20.0,test,CCc1cc(C(=O)O)nn1C
557901,CCc1cc(C(=O)O)nn1C,177.06345,[M+Na]+,45.0,test,CCc1cc(C(=O)O)nn1C
557902,CCc1cc(C(=O)O)nn1C,177.06345,[M+Na]+,60.0,test,CCc1cc(C(=O)O)nn1C
557903,CCc1cc(C(=O)O)nn1C,177.06345,[M+Na]+,20.0,test,CCc1cc(C(=O)O)nn1C
557904,CCc1cc(C(=O)O)nn1C,177.06345,[M+Na]+,45.0,test,CCc1cc(C(=O)O)nn1C
557905,Cn1cc(CCC(=O)O)cn1,155.0815,[M+H]+,20.0,test,Cn1cc(CCC(=O)O)cn1
557906,Cn1cc(CCC(=O)O)cn1,155.0815,[M+H]+,20.0,test,Cn1cc(CCC(=O)O)cn1
557907,Cn1cc(CCC(=O)O)cn1,155.0815,[M+H]+,60.0,test,Cn1cc(CCC(=O)O)cn1
557908,Cn1cc(CCC(=O)O)cn1,155.0815,[M+H]+,30.0,test,Cn1cc(CCC(=O)O)cn1
557909,Cn1cc(CCC(=O)O)cn1,155.0815,[M+H]+,20.0,test,Cn1cc(CCC(=O)O)cn1
557910,Cn1cc(CCC(=O)O)cn1,155.0815,[M+H]+,60.0,test,Cn1cc(CCC(=O)O)cn1
557911,Cn1cc(CCC(=O)O)cn1,155.0815,[M+H]+,30.0,test,Cn1cc(CCC(=O)O)cn1
557912,Cn1cc(CCC(=O)O)cn1,155.0815,[M+H]+,20.0,test,Cn1cc(CCC(=O)O)cn1
557913,Cc1nn(C)c(CC(=O)O)c1,155.0815,[M+H]+,20.0,test,Cc1cc(CC(=O)O)n(C)n1
557914,Cc1nn(C)c(CC(=O)O)c1,155.0815,[M+H]+,20.0,test,Cc1cc(CC(=O)O)n(C)n1
557915,Cc1nn(C)c(CC(=O)O)c1,155.0815,[M+H]+,60.0,test,Cc1cc(CC(=O)O)n(C)n1
557916,Cc1nn(C)c(CC(=O)O)c1,155.0815,[M+H]+,30.0,test,Cc1cc(CC(=O)O)n(C)n1
557917,Cc1nn(C)c(CC(=O)O)c1,155.0815,[M+H]+,20.0,test,Cc1cc(CC(=O)O)n(C)n1
557918,Cc1nn(C)c(CC(=O)O)c1,155.0815,[M+H]+,45.0,test,Cc1cc(CC(=O)O)n(C)n1
557919,Cc1nn(C)c(CC(=O)O)c1,155.0815,[M+H]+,60.0,test,Cc1cc(CC(=O)O)n(C)n1
557920,Cc1nn(C)c(CC(=O)O)c1,155.0815,[M+H]+,20.0,test,Cc1cc(CC(=O)O)n(C)n1
557921,CC(CC(=O)O)n1cccn1,137.07094,[M+H-H2O]+,20.0,test,CC(CC(=O)O)n1cccn1
557922,CC(CC(=O)O)n1cccn1,137.07094,[M+H-H2O]+,20.0,test,CC(CC(=O)O)n1cccn1
557923,CC(CC(=O)O)n1cccn1,137.07094,[M+H-H2O]+,60.0,test,CC(CC(=O)O)n1cccn1
557924,CC(CC(=O)O)n1cccn1,137.07094,[M+H-H2O]+,30.0,test,CC(CC(=O)O)n1cccn1
557925,CC(CC(=O)O)n1cccn1,137.07094,[M+H-H2O]+,20.0,test,CC(CC(=O)O)n1cccn1
557926,CC(CC(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CC(CC(=O)O)n1cccn1
557927,CC(CC(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CC(CC(=O)O)n1cccn1
557928,CC(CC(=O)O)n1cccn1,155.0815,[M+H]+,60.0,test,CC(CC(=O)O)n1cccn1
557929,CC(CC(=O)O)n1cccn1,155.0815,[M+H]+,30.0,test,CC(CC(=O)O)n1cccn1
557930,CC(CC(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CC(CC(=O)O)n1cccn1
557931,CC(CC(=O)O)n1cccn1,155.0815,[M+H]+,60.0,test,CC(CC(=O)O)n1cccn1
557932,CC(CC(=O)O)n1cccn1,155.0815,[M+H]+,30.0,test,CC(CC(=O)O)n1cccn1
557933,CC(CC(=O)O)n1cccn1,155.0815,[M+H]+,20.0,test,CC(CC(=O)O)n1cccn1
557934,CC(C)c1c(C(=O)O)cn[nH]1,155.0815,[M+H]+,20.0,test,CC(C)c1[nH]ncc1C(=O)O
557935,CC(C)c1c(C(=O)O)cn[nH]1,155.0815,[M+H]+,20.0,test,CC(C)c1[nH]ncc1C(=O)O
557936,CC(C)c1c(C(=O)O)cn[nH]1,155.0815,[M+H]+,60.0,test,CC(C)c1[nH]ncc1C(=O)O
557937,CC(C)c1c(C(=O)O)cn[nH]1,155.0815,[M+H]+,30.0,test,CC(C)c1[nH]ncc1C(=O)O
557938,CC(C)c1c(C(=O)O)cn[nH]1,155.0815,[M+H]+,20.0,test,CC(C)c1[nH]ncc1C(=O)O
557939,CC(C)c1c(C(=O)O)cn[nH]1,155.0815,[M+H]+,60.0,test,CC(C)c1[nH]ncc1C(=O)O
557940,CC(C)c1c(C(=O)O)cn[nH]1,155.0815,[M+H]+,30.0,test,CC(C)c1[nH]ncc1C(=O)O
557941,CC(C)c1c(C(=O)O)cn[nH]1,155.0815,[M+H]+,20.0,test,CC(C)c1[nH]ncc1C(=O)O
557942,CC(C)n1cnc(C(=O)O)c1,137.07094,[M+H-H2O]+,20.0,test,CC(C)n1cnc(C(=O)O)c1
557943,CC(C)n1cnc(C(=O)O)c1,137.07094,[M+H-H2O]+,20.0,test,CC(C)n1cnc(C(=O)O)c1
557944,CC(C)n1cnc(C(=O)O)c1,137.07094,[M+H-H2O]+,60.0,test,CC(C)n1cnc(C(=O)O)c1
557945,CC(C)n1cnc(C(=O)O)c1,137.07094,[M+H-H2O]+,15.0,test,CC(C)n1cnc(C(=O)O)c1
557946,CC(C)n1cnc(C(=O)O)c1,137.07094,[M+H-H2O]+,20.0,test,CC(C)n1cnc(C(=O)O)c1
557947,CC(C)n1cnc(C(=O)O)c1,155.0815,[M+H]+,20.0,test,CC(C)n1cnc(C(=O)O)c1
557948,CC(C)n1cnc(C(=O)O)c1,155.0815,[M+H]+,20.0,test,CC(C)n1cnc(C(=O)O)c1
557949,CC(C)n1cnc(C(=O)O)c1,155.0815,[M+H]+,60.0,test,CC(C)n1cnc(C(=O)O)c1
557950,CC(C)n1cnc(C(=O)O)c1,155.0815,[M+H]+,30.0,test,CC(C)n1cnc(C(=O)O)c1
557951,CC(C)n1cnc(C(=O)O)c1,155.0815,[M+H]+,20.0,test,CC(C)n1cnc(C(=O)O)c1
557952,CC(C)n1cnc(C(=O)O)c1,155.0815,[M+H]+,45.0,test,CC(C)n1cnc(C(=O)O)c1
557953,CC(C)n1cnc(C(=O)O)c1,155.0815,[M+H]+,60.0,test,CC(C)n1cnc(C(=O)O)c1
557954,CC(C)n1cnc(C(=O)O)c1,155.0815,[M+H]+,20.0,test,CC(C)n1cnc(C(=O)O)c1
557955,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,20.0,test,Cc1nn(C)cc1CC(=O)O
557956,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,20.0,test,Cc1nn(C)cc1CC(=O)O
557957,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,15.0,test,Cc1nn(C)cc1CC(=O)O
557958,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,60.0,test,Cc1nn(C)cc1CC(=O)O
557959,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,30.0,test,Cc1nn(C)cc1CC(=O)O
557960,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,20.0,test,Cc1nn(C)cc1CC(=O)O
557961,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,60.0,test,Cc1nn(C)cc1CC(=O)O
557962,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,30.0,test,Cc1nn(C)cc1CC(=O)O
557963,Cc1nn(C)cc1CC(=O)O,155.0815,[M+H]+,20.0,test,Cc1nn(C)cc1CC(=O)O
557964,CC(C)(C(=O)O)c1cnc[nH]1,155.0815,[M+H]+,20.0,test,CC(C)(C(=O)O)c1cnc[nH]1
557965,CC(C)(C(=O)O)c1cnc[nH]1,155.0815,[M+H]+,20.0,test,CC(C)(C(=O)O)c1cnc[nH]1
557966,CC(C)(C(=O)O)c1cnc[nH]1,155.0815,[M+H]+,60.0,test,CC(C)(C(=O)O)c1cnc[nH]1
557967,CC(C)(C(=O)O)c1cnc[nH]1,155.0815,[M+H]+,30.0,test,CC(C)(C(=O)O)c1cnc[nH]1
557968,CC(C)(C(=O)O)c1cnc[nH]1,155.0815,[M+H]+,20.0,test,CC(C)(C(=O)O)c1cnc[nH]1
557969,CC(C)(C(=O)O)c1cnc[nH]1,155.0815,[M+H]+,60.0,test,CC(C)(C(=O)O)c1cnc[nH]1
557970,CC(C)(C(=O)O)c1cnc[nH]1,155.0815,[M+H]+,30.0,test,CC(C)(C(=O)O)c1cnc[nH]1
557971,CC(C)(C(=O)O)c1cnc[nH]1,155.0815,[M+H]+,20.0,test,CC(C)(C(=O)O)c1cnc[nH]1
557972,CCn1ncc(C(=O)O)c1C,155.0815,[M+H]+,20.0,test,CCn1ncc(C(=O)O)c1C
557973,CCn1ncc(C(=O)O)c1C,155.0815,[M+H]+,20.0,test,CCn1ncc(C(=O)O)c1C
557974,CCn1ncc(C(=O)O)c1C,155.0815,[M+H]+,60.0,test,CCn1ncc(C(=O)O)c1C
557975,CCn1ncc(C(=O)O)c1C,155.0815,[M+H]+,30.0,test,CCn1ncc(C(=O)O)c1C
557976,CCn1ncc(C(=O)O)c1C,155.0815,[M+H]+,20.0,test,CCn1ncc(C(=O)O)c1C
557977,CCn1ncc(C(=O)O)c1C,155.0815,[M+H]+,60.0,test,CCn1ncc(C(=O)O)c1C
557978,CCn1ncc(C(=O)O)c1C,155.0815,[M+H]+,30.0,test,CCn1ncc(C(=O)O)c1C
557979,CCn1ncc(C(=O)O)c1C,155.0815,[M+H]+,20.0,test,CCn1ncc(C(=O)O)c1C
557980,Cc1nn(C)c(C)c1C(=O)O,155.0815,[M+H]+,20.0,test,Cc1nn(C)c(C)c1C(=O)O
557981,Cc1nn(C)c(C)c1C(=O)O,155.0815,[M+H]+,20.0,test,Cc1nn(C)c(C)c1C(=O)O
557982,Cc1nn(C)c(C)c1C(=O)O,155.0815,[M+H]+,45.0,test,Cc1nn(C)c(C)c1C(=O)O
557983,Cc1nn(C)c(C)c1C(=O)O,155.0815,[M+H]+,60.0,test,Cc1nn(C)c(C)c1C(=O)O
557984,Cc1nn(C)c(C)c1C(=O)O,155.0815,[M+H]+,20.0,test,Cc1nn(C)c(C)c1C(=O)O
557985,CC1=NNC(=O)C1CCC(=O)O,169.06187,[M-H]-,20.0,test,CC1=NNC(=O)C1CCC(=O)O
557986,CC1=NNC(=O)C1CCC(=O)O,169.06187,[M-H]-,20.0,test,CC1=NNC(=O)C1CCC(=O)O
557987,CC1=NNC(=O)C1CCC(=O)O,169.06187,[M-H]-,60.0,test,CC1=NNC(=O)C1CCC(=O)O
557988,CC1=NNC(=O)C1CCC(=O)O,169.06187,[M-H]-,30.0,test,CC1=NNC(=O)C1CCC(=O)O
557989,CC1=NNC(=O)C1CCC(=O)O,169.06187,[M-H]-,20.0,test,CC1=NNC(=O)C1CCC(=O)O
557990,CC1=NN(C)C(=O)C1CC(=O)O,169.06187,[M-H]-,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
557991,CC1=NN(C)C(=O)C1CC(=O)O,169.06187,[M-H]-,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
557992,CC1=NN(C)C(=O)C1CC(=O)O,169.06187,[M-H]-,60.0,test,CC1=NN(C)C(=O)C1CC(=O)O
557993,CC1=NN(C)C(=O)C1CC(=O)O,169.06187,[M-H]-,30.0,test,CC1=NN(C)C(=O)C1CC(=O)O
557994,CC1=NN(C)C(=O)C1CC(=O)O,169.06187,[M-H]-,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
557995,CC1=NN(C)C(=O)C1CC(=O)O,169.06187,[M-H]-,60.0,test,CC1=NN(C)C(=O)C1CC(=O)O
557996,CC1=NN(C)C(=O)C1CC(=O)O,169.06187,[M-H]-,30.0,test,CC1=NN(C)C(=O)C1CC(=O)O
557997,CC1=NN(C)C(=O)C1CC(=O)O,169.06187,[M-H]-,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
557998,Cn1cc(CC(O)C(=O)O)cn1,169.06187,[M-H]-,20.0,test,Cn1cc(CC(O)C(=O)O)cn1
557999,Cn1cc(CC(O)C(=O)O)cn1,169.06187,[M-H]-,20.0,test,Cn1cc(CC(O)C(=O)O)cn1
558000,Cn1cc(CC(O)C(=O)O)cn1,169.06187,[M-H]-,60.0,test,Cn1cc(CC(O)C(=O)O)cn1
558001,Cn1cc(CC(O)C(=O)O)cn1,169.06187,[M-H]-,30.0,test,Cn1cc(CC(O)C(=O)O)cn1
558002,Cn1cc(CC(O)C(=O)O)cn1,169.06187,[M-H]-,20.0,test,Cn1cc(CC(O)C(=O)O)cn1
558003,COC(C(=O)O)c1cn(C)nc1,171.07642,[M+H]+,20.0,test,COC(C(=O)O)c1cnn(C)c1
558004,COC(C(=O)O)c1cn(C)nc1,171.07642,[M+H]+,20.0,test,COC(C(=O)O)c1cnn(C)c1
558005,COC(C(=O)O)c1cn(C)nc1,171.07642,[M+H]+,60.0,test,COC(C(=O)O)c1cnn(C)c1
558006,COC(C(=O)O)c1cn(C)nc1,171.07642,[M+H]+,30.0,test,COC(C(=O)O)c1cnn(C)c1
558007,COC(C(=O)O)c1cn(C)nc1,171.07642,[M+H]+,20.0,test,COC(C(=O)O)c1cnn(C)c1
558008,COC(C(=O)O)c1cn(C)nc1,171.07642,[M+H]+,60.0,test,COC(C(=O)O)c1cnn(C)c1
558009,COC(C(=O)O)c1cn(C)nc1,171.07642,[M+H]+,30.0,test,COC(C(=O)O)c1cnn(C)c1
558010,COC(C(=O)O)c1cn(C)nc1,171.07642,[M+H]+,20.0,test,COC(C(=O)O)c1cnn(C)c1
558011,CC1=NNC(=O)C1CCC(=O)O,153.06586,[M+H-H2O]+,20.0,test,CC1=NNC(=O)C1CCC(=O)O
558012,CC1=NNC(=O)C1CCC(=O)O,153.06586,[M+H-H2O]+,20.0,test,CC1=NNC(=O)C1CCC(=O)O
558013,CC1=NNC(=O)C1CCC(=O)O,153.06586,[M+H-H2O]+,60.0,test,CC1=NNC(=O)C1CCC(=O)O
558014,CC1=NNC(=O)C1CCC(=O)O,153.06586,[M+H-H2O]+,30.0,test,CC1=NNC(=O)C1CCC(=O)O
558015,CC1=NNC(=O)C1CCC(=O)O,153.06586,[M+H-H2O]+,20.0,test,CC1=NNC(=O)C1CCC(=O)O
558016,CC1=NNC(=O)C1CCC(=O)O,171.07642,[M+H]+,20.0,test,CC1=NNC(=O)C1CCC(=O)O
558017,CC1=NNC(=O)C1CCC(=O)O,171.07642,[M+H]+,20.0,test,CC1=NNC(=O)C1CCC(=O)O
558018,CC1=NNC(=O)C1CCC(=O)O,171.07642,[M+H]+,60.0,test,CC1=NNC(=O)C1CCC(=O)O
558019,CC1=NNC(=O)C1CCC(=O)O,171.07642,[M+H]+,30.0,test,CC1=NNC(=O)C1CCC(=O)O
558020,CC1=NNC(=O)C1CCC(=O)O,171.07642,[M+H]+,20.0,test,CC1=NNC(=O)C1CCC(=O)O
558021,CC1=NNC(=O)C1CCC(=O)O,171.07642,[M+H]+,60.0,test,CC1=NNC(=O)C1CCC(=O)O
558022,CC1=NNC(=O)C1CCC(=O)O,171.07642,[M+H]+,30.0,test,CC1=NNC(=O)C1CCC(=O)O
558023,CC1=NNC(=O)C1CCC(=O)O,171.07642,[M+H]+,20.0,test,CC1=NNC(=O)C1CCC(=O)O
558024,COc1c(C(=O)O)c(C)nn1C,171.07642,[M+H]+,20.0,test,COc1c(C(=O)O)c(C)nn1C
558025,COc1c(C(=O)O)c(C)nn1C,171.07642,[M+H]+,20.0,test,COc1c(C(=O)O)c(C)nn1C
558026,COc1c(C(=O)O)c(C)nn1C,171.07642,[M+H]+,60.0,test,COc1c(C(=O)O)c(C)nn1C
558027,COc1c(C(=O)O)c(C)nn1C,171.07642,[M+H]+,30.0,test,COc1c(C(=O)O)c(C)nn1C
558028,COc1c(C(=O)O)c(C)nn1C,171.07642,[M+H]+,20.0,test,COc1c(C(=O)O)c(C)nn1C
558029,COc1c(C(=O)O)c(C)nn1C,171.07642,[M+H]+,60.0,test,COc1c(C(=O)O)c(C)nn1C
558030,COc1c(C(=O)O)c(C)nn1C,171.07642,[M+H]+,30.0,test,COc1c(C(=O)O)c(C)nn1C
558031,COc1c(C(=O)O)c(C)nn1C,171.07642,[M+H]+,20.0,test,COc1c(C(=O)O)c(C)nn1C
558032,Cn1cc(CC(O)C(=O)O)cn1,171.07642,[M+H]+,20.0,test,Cn1cc(CC(O)C(=O)O)cn1
558033,Cn1cc(CC(O)C(=O)O)cn1,171.07642,[M+H]+,20.0,test,Cn1cc(CC(O)C(=O)O)cn1
558034,Cn1cc(CC(O)C(=O)O)cn1,171.07642,[M+H]+,60.0,test,Cn1cc(CC(O)C(=O)O)cn1
558035,Cn1cc(CC(O)C(=O)O)cn1,171.07642,[M+H]+,30.0,test,Cn1cc(CC(O)C(=O)O)cn1
558036,Cn1cc(CC(O)C(=O)O)cn1,171.07642,[M+H]+,20.0,test,Cn1cc(CC(O)C(=O)O)cn1
558037,Cn1cc(CC(O)C(=O)O)cn1,171.07642,[M+H]+,60.0,test,Cn1cc(CC(O)C(=O)O)cn1
558038,Cn1cc(CC(O)C(=O)O)cn1,171.07642,[M+H]+,30.0,test,Cn1cc(CC(O)C(=O)O)cn1
558039,Cn1cc(CC(O)C(=O)O)cn1,171.07642,[M+H]+,20.0,test,Cn1cc(CC(O)C(=O)O)cn1
558040,COCc1nn(C)cc1C(=O)O,171.07642,[M+H]+,20.0,test,COCc1nn(C)cc1C(=O)O
558041,COCc1nn(C)cc1C(=O)O,171.07642,[M+H]+,20.0,test,COCc1nn(C)cc1C(=O)O
558042,COCc1nn(C)cc1C(=O)O,171.07642,[M+H]+,60.0,test,COCc1nn(C)cc1C(=O)O
558043,COCc1nn(C)cc1C(=O)O,171.07642,[M+H]+,30.0,test,COCc1nn(C)cc1C(=O)O
558044,COCc1nn(C)cc1C(=O)O,171.07642,[M+H]+,20.0,test,COCc1nn(C)cc1C(=O)O
558045,COCc1nn(C)cc1C(=O)O,171.07642,[M+H]+,60.0,test,COCc1nn(C)cc1C(=O)O
558046,COCc1nn(C)cc1C(=O)O,171.07642,[M+H]+,30.0,test,COCc1nn(C)cc1C(=O)O
558047,COCc1nn(C)cc1C(=O)O,171.07642,[M+H]+,20.0,test,COCc1nn(C)cc1C(=O)O
558048,CC1=NN(C)C(=O)C1CC(=O)O,153.06586,[M+H-H2O]+,15.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558049,CC1=NN(C)C(=O)C1CC(=O)O,153.06586,[M+H-H2O]+,15.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558050,CC1=NN(C)C(=O)C1CC(=O)O,153.06586,[M+H-H2O]+,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558051,CC1=NN(C)C(=O)C1CC(=O)O,153.06586,[M+H-H2O]+,60.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558052,CC1=NN(C)C(=O)C1CC(=O)O,153.06586,[M+H-H2O]+,15.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558053,CC1=NN(C)C(=O)C1CC(=O)O,171.07642,[M+H]+,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558054,CC1=NN(C)C(=O)C1CC(=O)O,171.07642,[M+H]+,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558055,CC1=NN(C)C(=O)C1CC(=O)O,171.07642,[M+H]+,60.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558056,CC1=NN(C)C(=O)C1CC(=O)O,171.07642,[M+H]+,30.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558057,CC1=NN(C)C(=O)C1CC(=O)O,171.07642,[M+H]+,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558058,CC1=NN(C)C(=O)C1CC(=O)O,171.07642,[M+H]+,60.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558059,CC1=NN(C)C(=O)C1CC(=O)O,171.07642,[M+H]+,30.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558060,CC1=NN(C)C(=O)C1CC(=O)O,171.07642,[M+H]+,20.0,test,CC1=NN(C)C(=O)C1CC(=O)O
558061,Cc1nn(CCO)cc1C(=O)O,171.07642,[M+H]+,20.0,test,Cc1nn(CCO)cc1C(=O)O
558062,Cc1nn(CCO)cc1C(=O)O,171.07642,[M+H]+,20.0,test,Cc1nn(CCO)cc1C(=O)O
558063,Cc1nn(CCO)cc1C(=O)O,171.07642,[M+H]+,30.0,test,Cc1nn(CCO)cc1C(=O)O
558064,Cc1nn(CCO)cc1C(=O)O,171.07642,[M+H]+,60.0,test,Cc1nn(CCO)cc1C(=O)O
558065,Cc1nn(CCO)cc1C(=O)O,171.07642,[M+H]+,15.0,test,Cc1nn(CCO)cc1C(=O)O
558066,Cc1nn(CCO)cc1C(=O)O,171.07642,[M+H]+,20.0,test,Cc1nn(CCO)cc1C(=O)O
558067,Cc1nn(CCO)cc1C(=O)O,171.07642,[M+H]+,60.0,test,Cc1nn(CCO)cc1C(=O)O
558068,Cc1nn(CCO)cc1C(=O)O,171.07642,[M+H]+,20.0,test,Cc1nn(CCO)cc1C(=O)O
558069,Cc1c(C(=O)O)cnn1CCO,171.07642,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1CCO
558070,Cc1c(C(=O)O)cnn1CCO,171.07642,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1CCO
558071,Cc1c(C(=O)O)cnn1CCO,171.07642,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1CCO
558072,Cc1c(C(=O)O)cnn1CCO,171.07642,[M+H]+,30.0,test,Cc1c(C(=O)O)cnn1CCO
558073,Cc1c(C(=O)O)cnn1CCO,171.07642,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1CCO
558074,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558075,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558076,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,60.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558077,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,30.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558078,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558079,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558080,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558081,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,60.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558082,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,15.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558083,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558084,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558085,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558086,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,60.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558087,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,30.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558088,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558089,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558090,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558091,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,60.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558092,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,30.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558093,NC(N)=NS(=O)(=O)c1ccc(N)cc1,213.04517,[M-H]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558094,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558095,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558096,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,60.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558097,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,15.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558098,NC(N)=NS(=O)(=O)c1ccc(N)cc1,259.05065,[M+FA]-,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558099,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558100,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558101,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,60.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558102,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,30.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558103,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558104,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,60.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558105,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,30.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558106,NC(N)=NS(=O)(=O)c1ccc(N)cc1,215.05972,[M+H]+,20.0,test,NC(N)=NS(=O)(=O)c1ccc(N)cc1
558107,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,202.08333,[M-H]-,20.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558108,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,202.08333,[M-H]-,20.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558109,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,202.08333,[M-H]-,60.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558110,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,202.08333,[M-H]-,30.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558111,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,202.08333,[M-H]-,20.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558112,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,204.09788,[M+H]+,20.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558113,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,204.09788,[M+H]+,20.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558114,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,204.09788,[M+H]+,60.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558115,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,204.09788,[M+H]+,15.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558116,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O,204.09788,[M+H]+,20.0,test,NCC(=O)N[C@@H](CCC(N)=O)C(=O)O
558117,OC1C[C@H]2CC[C@@H](C1)N2,128.10699,[M+H]+,20.0,test,OC1C[C@H]2CC[C@@H](C1)N2
558118,OC1C[C@H]2CC[C@@H](C1)N2,128.10699,[M+H]+,20.0,test,OC1C[C@H]2CC[C@@H](C1)N2
558119,OC1C[C@H]2CC[C@@H](C1)N2,128.10699,[M+H]+,60.0,test,OC1C[C@H]2CC[C@@H](C1)N2
558120,OC1C[C@H]2CC[C@@H](C1)N2,128.10699,[M+H]+,20.0,test,OC1C[C@H]2CC[C@@H](C1)N2
558121,OC1C[C@H]2CC[C@@H](C1)N2,128.10699,[M+H]+,60.0,test,OC1C[C@H]2CC[C@@H](C1)N2
558122,CN(CC(=O)O)C1CCS(=O)(=O)C1,206.04925,[M-H]-,20.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558123,CN(CC(=O)O)C1CCS(=O)(=O)C1,206.04925,[M-H]-,20.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558124,CN(CC(=O)O)C1CCS(=O)(=O)C1,206.04925,[M-H]-,60.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558125,CN(CC(=O)O)C1CCS(=O)(=O)C1,206.04925,[M-H]-,15.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558126,CN(CC(=O)O)C1CCS(=O)(=O)C1,206.04925,[M-H]-,20.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558127,CS(=O)(=O)N1CCCCC1C(=O)O,206.04925,[M-H]-,20.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558128,CS(=O)(=O)N1CCCCC1C(=O)O,206.04925,[M-H]-,20.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558129,CS(=O)(=O)N1CCCCC1C(=O)O,206.04925,[M-H]-,60.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558130,CS(=O)(=O)N1CCCCC1C(=O)O,206.04925,[M-H]-,30.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558131,CS(=O)(=O)N1CCCCC1C(=O)O,206.04925,[M-H]-,20.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558132,CS(=O)(=O)N1CCCCC1C(=O)O,206.04925,[M-H]-,60.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558133,CS(=O)(=O)N1CCCCC1C(=O)O,206.04925,[M-H]-,30.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558134,CS(=O)(=O)N1CCCCC1C(=O)O,206.04925,[M-H]-,20.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558135,CN1CCS(=O)(=O)CC1CC(=O)O,206.04925,[M-H]-,20.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558136,CN1CCS(=O)(=O)CC1CC(=O)O,206.04925,[M-H]-,20.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558137,CN1CCS(=O)(=O)CC1CC(=O)O,206.04925,[M-H]-,60.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558138,CN1CCS(=O)(=O)CC1CC(=O)O,206.04925,[M-H]-,15.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558139,CN1CCS(=O)(=O)CC1CC(=O)O,206.04925,[M-H]-,20.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558140,CS(=O)(=O)N1CCC(C(=O)O)CC1,206.04925,[M-H]-,20.0,test,CS(=O)(=O)N1CCC(C(=O)O)CC1
558141,CS(=O)(=O)N1CCC(C(=O)O)CC1,206.04925,[M-H]-,20.0,test,CS(=O)(=O)N1CCC(C(=O)O)CC1
558142,CS(=O)(=O)N1CCC(C(=O)O)CC1,206.04925,[M-H]-,60.0,test,CS(=O)(=O)N1CCC(C(=O)O)CC1
558143,CS(=O)(=O)N1CCC(C(=O)O)CC1,206.04925,[M-H]-,30.0,test,CS(=O)(=O)N1CCC(C(=O)O)CC1
558144,CS(=O)(=O)N1CCC(C(=O)O)CC1,206.04925,[M-H]-,20.0,test,CS(=O)(=O)N1CCC(C(=O)O)CC1
558145,CS(=O)(=O)N1CCC(C(=O)O)CC1,206.04925,[M-H]-,60.0,test,CS(=O)(=O)N1CCC(C(=O)O)CC1
558146,CS(=O)(=O)N1CCC(C(=O)O)CC1,206.04925,[M-H]-,30.0,test,CS(=O)(=O)N1CCC(C(=O)O)CC1
558147,CS(=O)(=O)N1CCC(C(=O)O)CC1,206.04925,[M-H]-,20.0,test,CS(=O)(=O)N1CCC(C(=O)O)CC1
558148,CCS(=O)(=O)N1CCCC1C(=O)O,206.04925,[M-H]-,20.0,test,CCS(=O)(=O)N1CCCC1C(=O)O
558149,CCS(=O)(=O)N1CCCC1C(=O)O,206.04925,[M-H]-,20.0,test,CCS(=O)(=O)N1CCCC1C(=O)O
558150,CCS(=O)(=O)N1CCCC1C(=O)O,206.04925,[M-H]-,60.0,test,CCS(=O)(=O)N1CCCC1C(=O)O
558151,CCS(=O)(=O)N1CCCC1C(=O)O,206.04925,[M-H]-,30.0,test,CCS(=O)(=O)N1CCCC1C(=O)O
558152,CCS(=O)(=O)N1CCCC1C(=O)O,206.04925,[M-H]-,20.0,test,CCS(=O)(=O)N1CCCC1C(=O)O
558153,CS(=O)(=O)N1CCCCC1C(=O)O,230.04575,[M+Na]+,20.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558154,CS(=O)(=O)N1CCCCC1C(=O)O,230.04575,[M+Na]+,20.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558155,CS(=O)(=O)N1CCCCC1C(=O)O,230.04575,[M+Na]+,60.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558156,CS(=O)(=O)N1CCCCC1C(=O)O,230.04575,[M+Na]+,30.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558157,CS(=O)(=O)N1CCCCC1C(=O)O,230.04575,[M+Na]+,20.0,test,CS(=O)(=O)N1CCCCC1C(=O)O
558158,CN1CCS(=O)(=O)CC1CC(=O)O,208.06381,[M+H]+,20.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558159,CN1CCS(=O)(=O)CC1CC(=O)O,208.06381,[M+H]+,20.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558160,CN1CCS(=O)(=O)CC1CC(=O)O,208.06381,[M+H]+,60.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558161,CN1CCS(=O)(=O)CC1CC(=O)O,208.06381,[M+H]+,30.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558162,CN1CCS(=O)(=O)CC1CC(=O)O,208.06381,[M+H]+,20.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558163,CN1CCS(=O)(=O)CC1CC(=O)O,208.06381,[M+H]+,60.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558164,CN1CCS(=O)(=O)CC1CC(=O)O,208.06381,[M+H]+,30.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558165,CN1CCS(=O)(=O)CC1CC(=O)O,208.06381,[M+H]+,20.0,test,CN1CCS(=O)(=O)CC1CC(=O)O
558166,CN(CC(=O)O)C1CCS(=O)(=O)C1,208.06381,[M+H]+,20.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558167,CN(CC(=O)O)C1CCS(=O)(=O)C1,208.06381,[M+H]+,20.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558168,CN(CC(=O)O)C1CCS(=O)(=O)C1,208.06381,[M+H]+,60.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558169,CN(CC(=O)O)C1CCS(=O)(=O)C1,208.06381,[M+H]+,30.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558170,CN(CC(=O)O)C1CCS(=O)(=O)C1,208.06381,[M+H]+,20.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558171,CN(CC(=O)O)C1CCS(=O)(=O)C1,208.06381,[M+H]+,60.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558172,CN(CC(=O)O)C1CCS(=O)(=O)C1,208.06381,[M+H]+,30.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558173,CN(CC(=O)O)C1CCS(=O)(=O)C1,208.06381,[M+H]+,20.0,test,CN(CC(=O)O)C1CCS(=O)(=O)C1
558174,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,20.0,test,CC(C[N+](C)(C)C)OC(N)=O
558175,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,20.0,test,CC(C[N+](C)(C)C)OC(N)=O
558176,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,60.0,test,CC(C[N+](C)(C)C)OC(N)=O
558177,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,30.0,test,CC(C[N+](C)(C)C)OC(N)=O
558178,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,20.0,test,CC(C[N+](C)(C)C)OC(N)=O
558179,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,20.0,test,CC(C[N+](C)(C)C)OC(N)=O
558180,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,20.0,test,CC(C[N+](C)(C)C)OC(N)=O
558181,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,60.0,test,CC(C[N+](C)(C)C)OC(N)=O
558182,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,30.0,test,CC(C[N+](C)(C)C)OC(N)=O
558183,CC(C[N+](C)(C)C)OC(N)=O,161.12845,[M]+,20.0,test,CC(C[N+](C)(C)C)OC(N)=O
558184,O=C(O)c1cc(O)c(Br)cc1,214.93493,[M-H]-,20.0,test,O=C(O)c1ccc(Br)c(O)c1
558185,O=C(O)c1cc(O)c(Br)cc1,214.93493,[M-H]-,20.0,test,O=C(O)c1ccc(Br)c(O)c1
558186,O=C(O)c1cc(O)c(Br)cc1,214.93493,[M-H]-,60.0,test,O=C(O)c1ccc(Br)c(O)c1
558187,O=C(O)c1cc(O)c(Br)cc1,214.93493,[M-H]-,30.0,test,O=C(O)c1ccc(Br)c(O)c1
558188,O=C(O)c1cc(O)c(Br)cc1,214.93493,[M-H]-,20.0,test,O=C(O)c1ccc(Br)c(O)c1
558189,COc1c(F)c(C(=O)O)ncc1,172.04045,[M+H]+,20.0,test,COc1ccnc(C(=O)O)c1F
558190,COc1c(F)c(C(=O)O)ncc1,172.04045,[M+H]+,20.0,test,COc1ccnc(C(=O)O)c1F
558191,COc1c(F)c(C(=O)O)ncc1,172.04045,[M+H]+,30.0,test,COc1ccnc(C(=O)O)c1F
558192,COc1c(F)c(C(=O)O)ncc1,172.04045,[M+H]+,60.0,test,COc1ccnc(C(=O)O)c1F
558193,COc1c(F)c(C(=O)O)ncc1,172.04045,[M+H]+,20.0,test,COc1ccnc(C(=O)O)c1F
558194,COc1c(F)c(C(=O)O)ncc1,172.04045,[M+H]+,45.0,test,COc1ccnc(C(=O)O)c1F
558195,COc1c(F)c(C(=O)O)ncc1,172.04045,[M+H]+,60.0,test,COc1ccnc(C(=O)O)c1F
558196,COc1c(F)c(C(=O)O)ncc1,172.04045,[M+H]+,20.0,test,COc1ccnc(C(=O)O)c1F
558197,Nc1ccc([N+](=O)[O-])cc1C(=O)O,181.02548,[M-H]-,20.0,test,Nc1ccc([N+](=O)[O-])cc1C(=O)O
558198,Nc1ccc([N+](=O)[O-])cc1C(=O)O,181.02548,[M-H]-,20.0,test,Nc1ccc([N+](=O)[O-])cc1C(=O)O
558199,Nc1ccc([N+](=O)[O-])cc1C(=O)O,181.02548,[M-H]-,60.0,test,Nc1ccc([N+](=O)[O-])cc1C(=O)O
558200,Nc1ccc([N+](=O)[O-])cc1C(=O)O,181.02548,[M-H]-,30.0,test,Nc1ccc([N+](=O)[O-])cc1C(=O)O
558201,Nc1ccc([N+](=O)[O-])cc1C(=O)O,181.02548,[M-H]-,20.0,test,Nc1ccc([N+](=O)[O-])cc1C(=O)O
558202,Nc1nc(C2CC2)c(C(=O)O)s1,185.03792,[M+H]+,20.0,test,Nc1nc(C2CC2)c(C(=O)O)s1
558203,Nc1nc(C2CC2)c(C(=O)O)s1,185.03792,[M+H]+,20.0,test,Nc1nc(C2CC2)c(C(=O)O)s1
558204,Nc1nc(C2CC2)c(C(=O)O)s1,185.03792,[M+H]+,60.0,test,Nc1nc(C2CC2)c(C(=O)O)s1
558205,Nc1nc(C2CC2)c(C(=O)O)s1,185.03792,[M+H]+,20.0,test,Nc1nc(C2CC2)c(C(=O)O)s1
558206,Nc1nc(C2CC2)c(C(=O)O)s1,185.03792,[M+H]+,45.0,test,Nc1nc(C2CC2)c(C(=O)O)s1
558207,O=C(O)c1csc(NC2CC2)n1,185.03792,[M+H]+,20.0,test,O=C(O)c1csc(NC2CC2)n1
558208,O=C(O)c1csc(NC2CC2)n1,185.03792,[M+H]+,20.0,test,O=C(O)c1csc(NC2CC2)n1
558209,O=C(O)c1csc(NC2CC2)n1,185.03792,[M+H]+,60.0,test,O=C(O)c1csc(NC2CC2)n1
558210,O=C(O)c1csc(NC2CC2)n1,185.03792,[M+H]+,15.0,test,O=C(O)c1csc(NC2CC2)n1
558211,O=C(O)c1csc(NC2CC2)n1,185.03792,[M+H]+,20.0,test,O=C(O)c1csc(NC2CC2)n1
558212,O=C(O)c1csc(NC2CC2)n1,185.03792,[M+H]+,60.0,test,O=C(O)c1csc(NC2CC2)n1
558213,O=C(O)c1csc(NC2CC2)n1,185.03792,[M+H]+,15.0,test,O=C(O)c1csc(NC2CC2)n1
558214,O=C(O)c1csc(NC2CC2)n1,185.03792,[M+H]+,20.0,test,O=C(O)c1csc(NC2CC2)n1
558215,O=C(O)c1cnc(NC2CC2)s1,185.03792,[M+H]+,20.0,test,O=C(O)c1cnc(NC2CC2)s1
558216,O=C(O)c1cnc(NC2CC2)s1,185.03792,[M+H]+,20.0,test,O=C(O)c1cnc(NC2CC2)s1
558217,O=C(O)c1cnc(NC2CC2)s1,185.03792,[M+H]+,60.0,test,O=C(O)c1cnc(NC2CC2)s1
558218,O=C(O)c1cnc(NC2CC2)s1,185.03792,[M+H]+,20.0,test,O=C(O)c1cnc(NC2CC2)s1
558219,O=C(O)c1cnc(NC2CC2)s1,185.03792,[M+H]+,45.0,test,O=C(O)c1cnc(NC2CC2)s1
558220,O=C(O)c1cnc(NC2CC2)s1,185.03792,[M+H]+,60.0,test,O=C(O)c1cnc(NC2CC2)s1
558221,O=C(O)c1cnc(NC2CC2)s1,185.03792,[M+H]+,20.0,test,O=C(O)c1cnc(NC2CC2)s1
558222,O=C(O)c1cnc(NC2CC2)s1,185.03792,[M+H]+,45.0,test,O=C(O)c1cnc(NC2CC2)s1
558223,Cc1c(Cl)sc(S(=O)(=O)NCC(O)C(=O)O)c1,297.96162,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Cl
558224,Cc1c(Cl)sc(S(=O)(=O)NCC(O)C(=O)O)c1,297.96162,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Cl
558225,Cc1c(Cl)sc(S(=O)(=O)NCC(O)C(=O)O)c1,297.96162,[M-H]-,60.0,test,Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Cl
558226,Cc1c(Cl)sc(S(=O)(=O)NCC(O)C(=O)O)c1,297.96162,[M-H]-,30.0,test,Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Cl
558227,Cc1c(Cl)sc(S(=O)(=O)NCC(O)C(=O)O)c1,297.96162,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Cl
558228,Cc1c(Cl)sc(S(=O)(=O)NCC(O)C(=O)O)c1,297.96162,[M-H]-,60.0,test,Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Cl
558229,Cc1c(Cl)sc(S(=O)(=O)NCC(O)C(=O)O)c1,297.96162,[M-H]-,30.0,test,Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Cl
558230,Cc1c(Cl)sc(S(=O)(=O)NCC(O)C(=O)O)c1,297.96162,[M-H]-,20.0,test,Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Cl
558231,O=S(=O)(c1ccc(Br)s1)N1CCNCC1,310.95181,[M+H]+,20.0,test,O=S(=O)(c1ccc(Br)s1)N1CCNCC1
558232,O=S(=O)(c1ccc(Br)s1)N1CCNCC1,310.95181,[M+H]+,20.0,test,O=S(=O)(c1ccc(Br)s1)N1CCNCC1
558233,O=S(=O)(c1ccc(Br)s1)N1CCNCC1,310.95181,[M+H]+,60.0,test,O=S(=O)(c1ccc(Br)s1)N1CCNCC1
558234,O=S(=O)(c1ccc(Br)s1)N1CCNCC1,310.95181,[M+H]+,30.0,test,O=S(=O)(c1ccc(Br)s1)N1CCNCC1
558235,O=S(=O)(c1ccc(Br)s1)N1CCNCC1,310.95181,[M+H]+,20.0,test,O=S(=O)(c1ccc(Br)s1)N1CCNCC1
558236,O=S(=O)(c1ccc(Br)s1)N1CCNCC1,310.95181,[M+H]+,30.0,test,O=S(=O)(c1ccc(Br)s1)N1CCNCC1
558237,O=S(=O)(c1ccc(Br)s1)N1CCNCC1,310.95181,[M+H]+,20.0,test,O=S(=O)(c1ccc(Br)s1)N1CCNCC1
558238,O=S(=O)(c1ccc(Br)s1)N1CCNCC1,310.95181,[M+H]+,60.0,test,O=S(=O)(c1ccc(Br)s1)N1CCNCC1
558239,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558240,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558241,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,60.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558242,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558243,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,45.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558244,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558245,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558246,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,60.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558247,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,15.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558248,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558249,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558250,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558251,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,60.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558252,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558253,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,45.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558254,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,60.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558255,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558256,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,224.07891,[M-H]-,45.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558257,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558258,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558259,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,15.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558260,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,60.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558261,Nc1nc(=O)c2c([nH]1)n(COCCO)cn2,226.09346,[M+H]+,20.0,test,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
558262,N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21,186.07608,[M+H]+,20.0,test,N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21
558263,N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21,186.07608,[M+H]+,60.0,test,N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21
558264,N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21,186.07608,[M+H]+,20.0,test,N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21
558265,N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21,186.07608,[M+H]+,20.0,test,N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21
558266,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558267,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558268,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,60.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558269,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,15.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558270,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558271,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558272,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558273,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,60.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558274,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,15.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558275,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
558276,CCCNS(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCCNS(=O)(=O)c1csc(C(=O)O)c1
558277,CCCNS(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCCNS(=O)(=O)c1csc(C(=O)O)c1
558278,CCCNS(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,60.0,test,CCCNS(=O)(=O)c1csc(C(=O)O)c1
558279,CCCNS(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,15.0,test,CCCNS(=O)(=O)c1csc(C(=O)O)c1
558280,CCCNS(=O)(=O)c1csc(C(=O)O)c1,248.00567,[M-H]-,20.0,test,CCCNS(=O)(=O)c1csc(C(=O)O)c1
558281,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558282,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558283,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,60.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558284,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,15.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558285,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558286,O=C(O)CSCC(=O)NC1CCSC1=O,250.02023,[M+H]+,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558287,O=C(O)CSCC(=O)NC1CCSC1=O,250.02023,[M+H]+,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558288,O=C(O)CSCC(=O)NC1CCSC1=O,250.02023,[M+H]+,60.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558289,O=C(O)CSCC(=O)NC1CCSC1=O,250.02023,[M+H]+,15.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558290,O=C(O)CSCC(=O)NC1CCSC1=O,250.02023,[M+H]+,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558291,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558292,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558293,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,60.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558294,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,15.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558295,O=C(O)CSCC(=O)NC1CCSC1=O,248.00567,[M-H]-,20.0,test,O=C(O)CSCC(=O)NC1CCSC1=O
558296,CCC(C)n1nccc1C(=O)O,167.0826,[M-H]-,20.0,test,CCC(C)n1nccc1C(=O)O
558297,CCC(C)n1nccc1C(=O)O,167.0826,[M-H]-,20.0,test,CCC(C)n1nccc1C(=O)O
558298,CCC(C)n1nccc1C(=O)O,167.0826,[M-H]-,60.0,test,CCC(C)n1nccc1C(=O)O
558299,CCC(C)n1nccc1C(=O)O,167.0826,[M-H]-,15.0,test,CCC(C)n1nccc1C(=O)O
558300,CCC(C)n1nccc1C(=O)O,167.0826,[M-H]-,20.0,test,CCC(C)n1nccc1C(=O)O
558301,CCC(C)n1nccc1C(=O)O,167.0826,[M-H]-,60.0,test,CCC(C)n1nccc1C(=O)O
558302,CCC(C)n1nccc1C(=O)O,167.0826,[M-H]-,15.0,test,CCC(C)n1nccc1C(=O)O
558303,CCC(C)n1nccc1C(=O)O,167.0826,[M-H]-,20.0,test,CCC(C)n1nccc1C(=O)O
558304,CC(C)Cn1nccc1C(=O)O,167.0826,[M-H]-,20.0,test,CC(C)Cn1nccc1C(=O)O
558305,CC(C)Cn1nccc1C(=O)O,167.0826,[M-H]-,20.0,test,CC(C)Cn1nccc1C(=O)O
558306,CC(C)Cn1nccc1C(=O)O,167.0826,[M-H]-,60.0,test,CC(C)Cn1nccc1C(=O)O
558307,CC(C)Cn1nccc1C(=O)O,167.0826,[M-H]-,15.0,test,CC(C)Cn1nccc1C(=O)O
558308,CC(C)Cn1nccc1C(=O)O,167.0826,[M-H]-,20.0,test,CC(C)Cn1nccc1C(=O)O
558309,CC(C)Cn1nccc1C(=O)O,167.0826,[M-H]-,60.0,test,CC(C)Cn1nccc1C(=O)O
558310,CC(C)Cn1nccc1C(=O)O,167.0826,[M-H]-,15.0,test,CC(C)Cn1nccc1C(=O)O
558311,CC(C)Cn1nccc1C(=O)O,167.0826,[M-H]-,20.0,test,CC(C)Cn1nccc1C(=O)O
558312,CC(C)c1nn(C)c(C(=O)O)c1,167.0826,[M-H]-,20.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558313,CC(C)c1nn(C)c(C(=O)O)c1,167.0826,[M-H]-,20.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558314,CC(C)c1nn(C)c(C(=O)O)c1,167.0826,[M-H]-,60.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558315,CC(C)c1nn(C)c(C(=O)O)c1,167.0826,[M-H]-,15.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558316,CC(C)c1nn(C)c(C(=O)O)c1,167.0826,[M-H]-,20.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558317,CC(C)(C)c1c(C(=O)O)nc[nH]1,167.0826,[M-H]-,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558318,CC(C)(C)c1c(C(=O)O)nc[nH]1,167.0826,[M-H]-,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558319,CC(C)(C)c1c(C(=O)O)nc[nH]1,167.0826,[M-H]-,60.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558320,CC(C)(C)c1c(C(=O)O)nc[nH]1,167.0826,[M-H]-,30.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558321,CC(C)(C)c1c(C(=O)O)nc[nH]1,167.0826,[M-H]-,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558322,CCC(C(=O)O)n1cc(C)cn1,167.0826,[M-H]-,30.0,test,CCC(C(=O)O)n1cc(C)cn1
558323,CC(C)C(C(=O)O)n1ccnc1,167.0826,[M-H]-,20.0,test,CC(C)C(C(=O)O)n1ccnc1
558324,CC(C)C(C(=O)O)n1ccnc1,167.0826,[M-H]-,20.0,test,CC(C)C(C(=O)O)n1ccnc1
558325,CC(C)C(C(=O)O)n1ccnc1,167.0826,[M-H]-,60.0,test,CC(C)C(C(=O)O)n1ccnc1
558326,CC(C)C(C(=O)O)n1ccnc1,167.0826,[M-H]-,30.0,test,CC(C)C(C(=O)O)n1ccnc1
558327,CC(C)C(C(=O)O)n1ccnc1,167.0826,[M-H]-,20.0,test,CC(C)C(C(=O)O)n1ccnc1
558328,CC(C)Cn1cc(C(=O)O)cn1,169.09715,[M+H]+,20.0,test,CC(C)Cn1cc(C(=O)O)cn1
558329,CC(C)Cn1cc(C(=O)O)cn1,169.09715,[M+H]+,20.0,test,CC(C)Cn1cc(C(=O)O)cn1
558330,CC(C)Cn1cc(C(=O)O)cn1,169.09715,[M+H]+,60.0,test,CC(C)Cn1cc(C(=O)O)cn1
558331,CC(C)Cn1cc(C(=O)O)cn1,169.09715,[M+H]+,30.0,test,CC(C)Cn1cc(C(=O)O)cn1
558332,CC(C)Cn1cc(C(=O)O)cn1,169.09715,[M+H]+,20.0,test,CC(C)Cn1cc(C(=O)O)cn1
558333,CC(C)Cn1cc(C(=O)O)cn1,169.09715,[M+H]+,60.0,test,CC(C)Cn1cc(C(=O)O)cn1
558334,CC(C)Cn1cc(C(=O)O)cn1,169.09715,[M+H]+,30.0,test,CC(C)Cn1cc(C(=O)O)cn1
558335,CC(C)Cn1cc(C(=O)O)cn1,169.09715,[M+H]+,20.0,test,CC(C)Cn1cc(C(=O)O)cn1
558336,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,20.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558337,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,20.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558338,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,60.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558339,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,30.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558340,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,20.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558341,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,45.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558342,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,60.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558343,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,20.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558344,CC(C)(C)c1c(C(=O)O)cn[nH]1,169.09715,[M+H]+,45.0,test,CC(C)(C)c1[nH]ncc1C(=O)O
558345,CC(C)(C)c1c(C(=O)O)nc[nH]1,151.08659,[M+H-H2O]+,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558346,CC(C)(C)c1c(C(=O)O)nc[nH]1,151.08659,[M+H-H2O]+,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558347,CC(C)(C)c1c(C(=O)O)nc[nH]1,151.08659,[M+H-H2O]+,60.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558348,CC(C)(C)c1c(C(=O)O)nc[nH]1,151.08659,[M+H-H2O]+,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558349,CC(C)(C)c1c(C(=O)O)nc[nH]1,151.08659,[M+H-H2O]+,45.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558350,CC(C)(C)c1c(C(=O)O)nc[nH]1,169.09715,[M+H]+,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558351,CC(C)(C)c1c(C(=O)O)nc[nH]1,169.09715,[M+H]+,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558352,CC(C)(C)c1c(C(=O)O)nc[nH]1,169.09715,[M+H]+,60.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558353,CC(C)(C)c1c(C(=O)O)nc[nH]1,169.09715,[M+H]+,30.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558354,CC(C)(C)c1c(C(=O)O)nc[nH]1,169.09715,[M+H]+,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558355,CC(C)(C)c1c(C(=O)O)nc[nH]1,169.09715,[M+H]+,60.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558356,CC(C)(C)c1c(C(=O)O)nc[nH]1,169.09715,[M+H]+,20.0,test,CC(C)(C)c1[nH]cnc1C(=O)O
558357,CC(C)c1c(C(=O)O)cnn1C,169.09715,[M+H]+,20.0,test,CC(C)c1c(C(=O)O)cnn1C
558358,CC(C)c1c(C(=O)O)cnn1C,169.09715,[M+H]+,20.0,test,CC(C)c1c(C(=O)O)cnn1C
558359,CC(C)c1c(C(=O)O)cnn1C,169.09715,[M+H]+,60.0,test,CC(C)c1c(C(=O)O)cnn1C
558360,CC(C)c1c(C(=O)O)cnn1C,169.09715,[M+H]+,30.0,test,CC(C)c1c(C(=O)O)cnn1C
558361,CC(C)c1c(C(=O)O)cnn1C,169.09715,[M+H]+,20.0,test,CC(C)c1c(C(=O)O)cnn1C
558362,CC(C)c1c(C(=O)O)cnn1C,169.09715,[M+H]+,60.0,test,CC(C)c1c(C(=O)O)cnn1C
558363,CC(C)c1c(C(=O)O)cnn1C,169.09715,[M+H]+,30.0,test,CC(C)c1c(C(=O)O)cnn1C
558364,CC(C)c1c(C(=O)O)cnn1C,169.09715,[M+H]+,20.0,test,CC(C)c1c(C(=O)O)cnn1C
558365,Cc1c(C(=O)O)c(C(C)C)n[nH]1,169.09715,[M+H]+,20.0,test,Cc1[nH]nc(C(C)C)c1C(=O)O
558366,Cc1c(C(=O)O)c(C(C)C)n[nH]1,169.09715,[M+H]+,20.0,test,Cc1[nH]nc(C(C)C)c1C(=O)O
558367,Cc1c(C(=O)O)c(C(C)C)n[nH]1,169.09715,[M+H]+,60.0,test,Cc1[nH]nc(C(C)C)c1C(=O)O
558368,Cc1c(C(=O)O)c(C(C)C)n[nH]1,169.09715,[M+H]+,20.0,test,Cc1[nH]nc(C(C)C)c1C(=O)O
558369,Cc1c(C(=O)O)c(C(C)C)n[nH]1,169.09715,[M+H]+,45.0,test,Cc1[nH]nc(C(C)C)c1C(=O)O
558370,Cc1c(C(=O)O)c(C(C)C)n[nH]1,169.09715,[M+H]+,60.0,test,Cc1[nH]nc(C(C)C)c1C(=O)O
558371,Cc1c(C(=O)O)c(C(C)C)n[nH]1,169.09715,[M+H]+,20.0,test,Cc1[nH]nc(C(C)C)c1C(=O)O
558372,Cc1c(C(=O)O)c(C(C)C)n[nH]1,169.09715,[M+H]+,45.0,test,Cc1[nH]nc(C(C)C)c1C(=O)O
558373,Cc1n[nH]c(C)c1C(C)C(=O)O,169.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1C(C)C(=O)O
558374,Cc1n[nH]c(C)c1C(C)C(=O)O,169.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1C(C)C(=O)O
558375,Cc1n[nH]c(C)c1C(C)C(=O)O,169.09715,[M+H]+,60.0,test,Cc1n[nH]c(C)c1C(C)C(=O)O
558376,Cc1n[nH]c(C)c1C(C)C(=O)O,169.09715,[M+H]+,30.0,test,Cc1n[nH]c(C)c1C(C)C(=O)O
558377,Cc1n[nH]c(C)c1C(C)C(=O)O,169.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1C(C)C(=O)O
558378,Cc1n[nH]c(C)c1C(C)C(=O)O,169.09715,[M+H]+,60.0,test,Cc1n[nH]c(C)c1C(C)C(=O)O
558379,Cc1n[nH]c(C)c1C(C)C(=O)O,169.09715,[M+H]+,30.0,test,Cc1n[nH]c(C)c1C(C)C(=O)O
558380,Cc1n[nH]c(C)c1C(C)C(=O)O,169.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1C(C)C(=O)O
558381,Cc1nn(CC(C)C(=O)O)cc1,151.08659,[M+H-H2O]+,30.0,test,Cc1ccn(CC(C)C(=O)O)n1
558382,Cc1nn(CC(C)C(=O)O)cc1,151.08659,[M+H-H2O]+,30.0,test,Cc1ccn(CC(C)C(=O)O)n1
558383,Cc1nn(CC(C)C(=O)O)cc1,151.08659,[M+H-H2O]+,20.0,test,Cc1ccn(CC(C)C(=O)O)n1
558384,Cc1nn(CC(C)C(=O)O)cc1,151.08659,[M+H-H2O]+,60.0,test,Cc1ccn(CC(C)C(=O)O)n1
558385,Cc1nn(CC(C)C(=O)O)cc1,151.08659,[M+H-H2O]+,30.0,test,Cc1ccn(CC(C)C(=O)O)n1
558386,Cc1nn(CC(C)C(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(CC(C)C(=O)O)n1
558387,Cc1nn(CC(C)C(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(CC(C)C(=O)O)n1
558388,Cc1nn(CC(C)C(=O)O)cc1,169.09715,[M+H]+,60.0,test,Cc1ccn(CC(C)C(=O)O)n1
558389,Cc1nn(CC(C)C(=O)O)cc1,169.09715,[M+H]+,30.0,test,Cc1ccn(CC(C)C(=O)O)n1
558390,Cc1nn(CC(C)C(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(CC(C)C(=O)O)n1
558391,Cc1nn(CC(C)C(=O)O)cc1,169.09715,[M+H]+,60.0,test,Cc1ccn(CC(C)C(=O)O)n1
558392,Cc1nn(CC(C)C(=O)O)cc1,169.09715,[M+H]+,30.0,test,Cc1ccn(CC(C)C(=O)O)n1
558393,Cc1nn(CC(C)C(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(CC(C)C(=O)O)n1
558394,CC(C)n1ccc(CC(=O)O)n1,169.09715,[M+H]+,20.0,test,CC(C)n1ccc(CC(=O)O)n1
558395,CC(C)n1ccc(CC(=O)O)n1,169.09715,[M+H]+,20.0,test,CC(C)n1ccc(CC(=O)O)n1
558396,CC(C)n1ccc(CC(=O)O)n1,169.09715,[M+H]+,60.0,test,CC(C)n1ccc(CC(=O)O)n1
558397,CC(C)n1ccc(CC(=O)O)n1,169.09715,[M+H]+,30.0,test,CC(C)n1ccc(CC(=O)O)n1
558398,CC(C)n1ccc(CC(=O)O)n1,169.09715,[M+H]+,20.0,test,CC(C)n1ccc(CC(=O)O)n1
558399,CC(C)n1ccc(CC(=O)O)n1,169.09715,[M+H]+,60.0,test,CC(C)n1ccc(CC(=O)O)n1
558400,CC(C)n1ccc(CC(=O)O)n1,169.09715,[M+H]+,30.0,test,CC(C)n1ccc(CC(=O)O)n1
558401,CC(C)n1ccc(CC(=O)O)n1,169.09715,[M+H]+,20.0,test,CC(C)n1ccc(CC(=O)O)n1
558402,Cc1n[nH]c(C)c1CCC(=O)O,169.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1CCC(=O)O
558403,Cc1n[nH]c(C)c1CCC(=O)O,169.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1CCC(=O)O
558404,Cc1n[nH]c(C)c1CCC(=O)O,169.09715,[M+H]+,60.0,test,Cc1n[nH]c(C)c1CCC(=O)O
558405,Cc1n[nH]c(C)c1CCC(=O)O,169.09715,[M+H]+,30.0,test,Cc1n[nH]c(C)c1CCC(=O)O
558406,Cc1n[nH]c(C)c1CCC(=O)O,169.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1CCC(=O)O
558407,Cc1n[nH]c(C)c1CCC(=O)O,169.09715,[M+H]+,60.0,test,Cc1n[nH]c(C)c1CCC(=O)O
558408,Cc1n[nH]c(C)c1CCC(=O)O,169.09715,[M+H]+,30.0,test,Cc1n[nH]c(C)c1CCC(=O)O
558409,Cc1n[nH]c(C)c1CCC(=O)O,169.09715,[M+H]+,20.0,test,Cc1n[nH]c(C)c1CCC(=O)O
558410,CC(C)c1nn(C)c(C(=O)O)c1,169.09715,[M+H]+,20.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558411,CC(C)c1nn(C)c(C(=O)O)c1,169.09715,[M+H]+,20.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558412,CC(C)c1nn(C)c(C(=O)O)c1,169.09715,[M+H]+,60.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558413,CC(C)c1nn(C)c(C(=O)O)c1,169.09715,[M+H]+,30.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558414,CC(C)c1nn(C)c(C(=O)O)c1,169.09715,[M+H]+,20.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558415,CC(C)c1nn(C)c(C(=O)O)c1,169.09715,[M+H]+,60.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558416,CC(C)c1nn(C)c(C(=O)O)c1,169.09715,[M+H]+,30.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558417,CC(C)c1nn(C)c(C(=O)O)c1,169.09715,[M+H]+,20.0,test,CC(C)c1cc(C(=O)O)n(C)n1
558418,Cc1c(CCC(=O)O)cnn1C,169.09715,[M+H]+,20.0,test,Cc1c(CCC(=O)O)cnn1C
558419,Cc1c(CCC(=O)O)cnn1C,169.09715,[M+H]+,20.0,test,Cc1c(CCC(=O)O)cnn1C
558420,Cc1c(CCC(=O)O)cnn1C,169.09715,[M+H]+,60.0,test,Cc1c(CCC(=O)O)cnn1C
558421,Cc1c(CCC(=O)O)cnn1C,169.09715,[M+H]+,30.0,test,Cc1c(CCC(=O)O)cnn1C
558422,Cc1c(CCC(=O)O)cnn1C,169.09715,[M+H]+,20.0,test,Cc1c(CCC(=O)O)cnn1C
558423,Cc1c(CCC(=O)O)cnn1C,169.09715,[M+H]+,60.0,test,Cc1c(CCC(=O)O)cnn1C
558424,Cc1c(CCC(=O)O)cnn1C,169.09715,[M+H]+,30.0,test,Cc1c(CCC(=O)O)cnn1C
558425,Cc1c(CCC(=O)O)cnn1C,169.09715,[M+H]+,20.0,test,Cc1c(CCC(=O)O)cnn1C
558426,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,20.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558427,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,20.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558428,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,15.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558429,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,60.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558430,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,30.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558431,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,20.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558432,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,60.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558433,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,30.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558434,Cn1ccc(C(C)(C)C(=O)O)n1,169.09715,[M+H]+,20.0,test,Cn1ccc(C(C)(C)C(=O)O)n1
558435,CCC(C(=O)O)n1nccc1C,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1nccc1C
558436,CCC(C(=O)O)n1nccc1C,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1nccc1C
558437,CCC(C(=O)O)n1nccc1C,169.09715,[M+H]+,60.0,test,CCC(C(=O)O)n1nccc1C
558438,CCC(C(=O)O)n1nccc1C,169.09715,[M+H]+,30.0,test,CCC(C(=O)O)n1nccc1C
558439,CCC(C(=O)O)n1nccc1C,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1nccc1C
558440,CCC(C(=O)O)n1nccc1C,169.09715,[M+H]+,60.0,test,CCC(C(=O)O)n1nccc1C
558441,CCC(C(=O)O)n1nccc1C,169.09715,[M+H]+,30.0,test,CCC(C(=O)O)n1nccc1C
558442,CCC(C(=O)O)n1nccc1C,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1nccc1C
558443,CCC(C(=O)O)n1ccc(C)n1,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1ccc(C)n1
558444,CCC(C(=O)O)n1ccc(C)n1,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1ccc(C)n1
558445,CCC(C(=O)O)n1ccc(C)n1,169.09715,[M+H]+,60.0,test,CCC(C(=O)O)n1ccc(C)n1
558446,CCC(C(=O)O)n1ccc(C)n1,169.09715,[M+H]+,30.0,test,CCC(C(=O)O)n1ccc(C)n1
558447,CCC(C(=O)O)n1ccc(C)n1,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1ccc(C)n1
558448,CCC(C(=O)O)n1ccc(C)n1,169.09715,[M+H]+,60.0,test,CCC(C(=O)O)n1ccc(C)n1
558449,CCC(C(=O)O)n1ccc(C)n1,169.09715,[M+H]+,30.0,test,CCC(C(=O)O)n1ccc(C)n1
558450,CCC(C(=O)O)n1ccc(C)n1,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1ccc(C)n1
558451,Cc1nn(C(C)(C)C(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(C(C)(C)C(=O)O)n1
558452,Cc1nn(C(C)(C)C(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(C(C)(C)C(=O)O)n1
558453,Cc1nn(C(C)(C)C(=O)O)cc1,169.09715,[M+H]+,60.0,test,Cc1ccn(C(C)(C)C(=O)O)n1
558454,Cc1nn(C(C)(C)C(=O)O)cc1,169.09715,[M+H]+,30.0,test,Cc1ccn(C(C)(C)C(=O)O)n1
558455,Cc1nn(C(C)(C)C(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(C(C)(C)C(=O)O)n1
558456,Cc1nn(C(C)(C)C(=O)O)cc1,169.09715,[M+H]+,60.0,test,Cc1ccn(C(C)(C)C(=O)O)n1
558457,Cc1nn(C(C)(C)C(=O)O)cc1,169.09715,[M+H]+,30.0,test,Cc1ccn(C(C)(C)C(=O)O)n1
558458,Cc1nn(C(C)(C)C(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(C(C)(C)C(=O)O)n1
558459,CC(C)C(C(=O)O)n1ccnc1,169.09715,[M+H]+,20.0,test,CC(C)C(C(=O)O)n1ccnc1
558460,CC(C)C(C(=O)O)n1ccnc1,169.09715,[M+H]+,20.0,test,CC(C)C(C(=O)O)n1ccnc1
558461,CC(C)C(C(=O)O)n1ccnc1,169.09715,[M+H]+,60.0,test,CC(C)C(C(=O)O)n1ccnc1
558462,CC(C)C(C(=O)O)n1ccnc1,169.09715,[M+H]+,30.0,test,CC(C)C(C(=O)O)n1ccnc1
558463,CC(C)C(C(=O)O)n1ccnc1,169.09715,[M+H]+,20.0,test,CC(C)C(C(=O)O)n1ccnc1
558464,CC(C)C(C(=O)O)n1ccnc1,169.09715,[M+H]+,60.0,test,CC(C)C(C(=O)O)n1ccnc1
558465,CC(C)C(C(=O)O)n1ccnc1,169.09715,[M+H]+,30.0,test,CC(C)C(C(=O)O)n1ccnc1
558466,CC(C)C(C(=O)O)n1ccnc1,169.09715,[M+H]+,20.0,test,CC(C)C(C(=O)O)n1ccnc1
558467,Cc1nn(C(C)C)cc1C(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C(C)C)cc1C(=O)O
558468,Cc1nn(C(C)C)cc1C(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C(C)C)cc1C(=O)O
558469,Cc1nn(C(C)C)cc1C(=O)O,169.09715,[M+H]+,60.0,test,Cc1nn(C(C)C)cc1C(=O)O
558470,Cc1nn(C(C)C)cc1C(=O)O,169.09715,[M+H]+,30.0,test,Cc1nn(C(C)C)cc1C(=O)O
558471,Cc1nn(C(C)C)cc1C(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C(C)C)cc1C(=O)O
558472,Cc1nn(C(C)C)cc1C(=O)O,169.09715,[M+H]+,60.0,test,Cc1nn(C(C)C)cc1C(=O)O
558473,Cc1nn(C(C)C)cc1C(=O)O,169.09715,[M+H]+,30.0,test,Cc1nn(C(C)C)cc1C(=O)O
558474,Cc1nn(C(C)C)cc1C(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C(C)C)cc1C(=O)O
558475,Cc1nn(CC(=O)O)c(C)c1C,169.09715,[M+H]+,20.0,test,Cc1nn(CC(=O)O)c(C)c1C
558476,Cc1nn(CC(=O)O)c(C)c1C,169.09715,[M+H]+,20.0,test,Cc1nn(CC(=O)O)c(C)c1C
558477,Cc1nn(CC(=O)O)c(C)c1C,169.09715,[M+H]+,60.0,test,Cc1nn(CC(=O)O)c(C)c1C
558478,Cc1nn(CC(=O)O)c(C)c1C,169.09715,[M+H]+,30.0,test,Cc1nn(CC(=O)O)c(C)c1C
558479,Cc1nn(CC(=O)O)c(C)c1C,169.09715,[M+H]+,20.0,test,Cc1nn(CC(=O)O)c(C)c1C
558480,Cc1nn(CC(=O)O)c(C)c1C,169.09715,[M+H]+,60.0,test,Cc1nn(CC(=O)O)c(C)c1C
558481,Cc1nn(CC(=O)O)c(C)c1C,169.09715,[M+H]+,30.0,test,Cc1nn(CC(=O)O)c(C)c1C
558482,Cc1nn(CC(=O)O)c(C)c1C,169.09715,[M+H]+,20.0,test,Cc1nn(CC(=O)O)c(C)c1C
558483,CC(C)c1nn(C)cc1C(=O)O,169.09715,[M+H]+,20.0,test,CC(C)c1nn(C)cc1C(=O)O
558484,CC(C)c1nn(C)cc1C(=O)O,169.09715,[M+H]+,20.0,test,CC(C)c1nn(C)cc1C(=O)O
558485,CC(C)c1nn(C)cc1C(=O)O,169.09715,[M+H]+,60.0,test,CC(C)c1nn(C)cc1C(=O)O
558486,CC(C)c1nn(C)cc1C(=O)O,169.09715,[M+H]+,30.0,test,CC(C)c1nn(C)cc1C(=O)O
558487,CC(C)c1nn(C)cc1C(=O)O,169.09715,[M+H]+,20.0,test,CC(C)c1nn(C)cc1C(=O)O
558488,CC(C)c1nn(C)cc1C(=O)O,169.09715,[M+H]+,60.0,test,CC(C)c1nn(C)cc1C(=O)O
558489,CC(C)c1nn(C)cc1C(=O)O,169.09715,[M+H]+,30.0,test,CC(C)c1nn(C)cc1C(=O)O
558490,CC(C)c1nn(C)cc1C(=O)O,169.09715,[M+H]+,20.0,test,CC(C)c1nn(C)cc1C(=O)O
558491,Cc1c(C(=O)O)cnn1C(C)C,169.09715,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C(C)C
558492,Cc1c(C(=O)O)cnn1C(C)C,169.09715,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C(C)C
558493,Cc1c(C(=O)O)cnn1C(C)C,169.09715,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1C(C)C
558494,Cc1c(C(=O)O)cnn1C(C)C,169.09715,[M+H]+,30.0,test,Cc1c(C(=O)O)cnn1C(C)C
558495,Cc1c(C(=O)O)cnn1C(C)C,169.09715,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C(C)C
558496,Cc1c(C(=O)O)cnn1C(C)C,169.09715,[M+H]+,60.0,test,Cc1c(C(=O)O)cnn1C(C)C
558497,Cc1c(C(=O)O)cnn1C(C)C,169.09715,[M+H]+,30.0,test,Cc1c(C(=O)O)cnn1C(C)C
558498,Cc1c(C(=O)O)cnn1C(C)C,169.09715,[M+H]+,20.0,test,Cc1c(C(=O)O)cnn1C(C)C
558499,CCC(C)n1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558500,CCC(C)n1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558501,CCC(C)n1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,60.0,test,CCC(C)n1ccc(C(=O)O)n1
558502,CCC(C)n1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,30.0,test,CCC(C)n1ccc(C(=O)O)n1
558503,CCC(C)n1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558504,CCC(C)n1ccc(C(=O)O)n1,169.09715,[M+H]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558505,CCC(C)n1ccc(C(=O)O)n1,169.09715,[M+H]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558506,CCC(C)n1ccc(C(=O)O)n1,169.09715,[M+H]+,60.0,test,CCC(C)n1ccc(C(=O)O)n1
558507,CCC(C)n1ccc(C(=O)O)n1,169.09715,[M+H]+,30.0,test,CCC(C)n1ccc(C(=O)O)n1
558508,CCC(C)n1ccc(C(=O)O)n1,169.09715,[M+H]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558509,CCC(C)n1ccc(C(=O)O)n1,169.09715,[M+H]+,60.0,test,CCC(C)n1ccc(C(=O)O)n1
558510,CCC(C)n1ccc(C(=O)O)n1,169.09715,[M+H]+,30.0,test,CCC(C)n1ccc(C(=O)O)n1
558511,CCC(C)n1ccc(C(=O)O)n1,169.09715,[M+H]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558512,CCC(C)n1ccc(C(=O)O)n1,191.0791,[M+Na]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558513,CCC(C)n1ccc(C(=O)O)n1,191.0791,[M+Na]+,15.0,test,CCC(C)n1ccc(C(=O)O)n1
558514,CCC(C)n1ccc(C(=O)O)n1,191.0791,[M+Na]+,20.0,test,CCC(C)n1ccc(C(=O)O)n1
558515,CC(Cc1cn(C)nc1)C(=O)O,169.09715,[M+H]+,20.0,test,CC(Cc1cnn(C)c1)C(=O)O
558516,CC(Cc1cn(C)nc1)C(=O)O,169.09715,[M+H]+,20.0,test,CC(Cc1cnn(C)c1)C(=O)O
558517,CC(Cc1cn(C)nc1)C(=O)O,169.09715,[M+H]+,60.0,test,CC(Cc1cnn(C)c1)C(=O)O
558518,CC(Cc1cn(C)nc1)C(=O)O,169.09715,[M+H]+,30.0,test,CC(Cc1cnn(C)c1)C(=O)O
558519,CC(Cc1cn(C)nc1)C(=O)O,169.09715,[M+H]+,20.0,test,CC(Cc1cnn(C)c1)C(=O)O
558520,CC(Cc1cn(C)nc1)C(=O)O,169.09715,[M+H]+,60.0,test,CC(Cc1cnn(C)c1)C(=O)O
558521,CC(Cc1cn(C)nc1)C(=O)O,169.09715,[M+H]+,30.0,test,CC(Cc1cnn(C)c1)C(=O)O
558522,CC(Cc1cn(C)nc1)C(=O)O,169.09715,[M+H]+,20.0,test,CC(Cc1cnn(C)c1)C(=O)O
558523,Cc1nn(C(C)CC(=O)O)cc1,151.08659,[M+H-H2O]+,20.0,test,Cc1ccn(C(C)CC(=O)O)n1
558524,Cc1nn(C(C)CC(=O)O)cc1,151.08659,[M+H-H2O]+,20.0,test,Cc1ccn(C(C)CC(=O)O)n1
558525,Cc1nn(C(C)CC(=O)O)cc1,151.08659,[M+H-H2O]+,60.0,test,Cc1ccn(C(C)CC(=O)O)n1
558526,Cc1nn(C(C)CC(=O)O)cc1,151.08659,[M+H-H2O]+,30.0,test,Cc1ccn(C(C)CC(=O)O)n1
558527,Cc1nn(C(C)CC(=O)O)cc1,151.08659,[M+H-H2O]+,20.0,test,Cc1ccn(C(C)CC(=O)O)n1
558528,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(C(C)CC(=O)O)n1
558529,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(C(C)CC(=O)O)n1
558530,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,30.0,test,Cc1ccn(C(C)CC(=O)O)n1
558531,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,60.0,test,Cc1ccn(C(C)CC(=O)O)n1
558532,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(C(C)CC(=O)O)n1
558533,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,45.0,test,Cc1ccn(C(C)CC(=O)O)n1
558534,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,30.0,test,Cc1ccn(C(C)CC(=O)O)n1
558535,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,60.0,test,Cc1ccn(C(C)CC(=O)O)n1
558536,Cc1nn(C(C)CC(=O)O)cc1,169.09715,[M+H]+,20.0,test,Cc1ccn(C(C)CC(=O)O)n1
558537,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CC(=O)O
558538,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CC(=O)O
558539,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,60.0,test,Cc1nn(C)c(C)c1CC(=O)O
558540,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,30.0,test,Cc1nn(C)c(C)c1CC(=O)O
558541,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CC(=O)O
558542,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,45.0,test,Cc1nn(C)c(C)c1CC(=O)O
558543,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,60.0,test,Cc1nn(C)c(C)c1CC(=O)O
558544,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,30.0,test,Cc1nn(C)c(C)c1CC(=O)O
558545,Cc1nn(C)c(C)c1CC(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C)c(C)c1CC(=O)O
558546,Cc1cc(C(=O)O)nn1C(C)C,151.08659,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C
558547,Cc1cc(C(=O)O)nn1C(C)C,151.08659,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C
558548,Cc1cc(C(=O)O)nn1C(C)C,151.08659,[M+H-H2O]+,60.0,test,Cc1cc(C(=O)O)nn1C(C)C
558549,Cc1cc(C(=O)O)nn1C(C)C,151.08659,[M+H-H2O]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C
558550,Cc1cc(C(=O)O)nn1C(C)C,151.08659,[M+H-H2O]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C
558551,Cc1cc(C(=O)O)nn1C(C)C,169.09715,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C
558552,Cc1cc(C(=O)O)nn1C(C)C,169.09715,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C
558553,Cc1cc(C(=O)O)nn1C(C)C,169.09715,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1C(C)C
558554,Cc1cc(C(=O)O)nn1C(C)C,169.09715,[M+H]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C
558555,Cc1cc(C(=O)O)nn1C(C)C,169.09715,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C
558556,Cc1cc(C(=O)O)nn1C(C)C,169.09715,[M+H]+,60.0,test,Cc1cc(C(=O)O)nn1C(C)C
558557,Cc1cc(C(=O)O)nn1C(C)C,169.09715,[M+H]+,30.0,test,Cc1cc(C(=O)O)nn1C(C)C
558558,Cc1cc(C(=O)O)nn1C(C)C,169.09715,[M+H]+,20.0,test,Cc1cc(C(=O)O)nn1C(C)C
558559,CC(C)Cn1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,20.0,test,CC(C)Cn1ccc(C(=O)O)n1
558560,CC(C)Cn1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,20.0,test,CC(C)Cn1ccc(C(=O)O)n1
558561,CC(C)Cn1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,60.0,test,CC(C)Cn1ccc(C(=O)O)n1
558562,CC(C)Cn1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,30.0,test,CC(C)Cn1ccc(C(=O)O)n1
558563,CC(C)Cn1ccc(C(=O)O)n1,151.08659,[M+H-H2O]+,20.0,test,CC(C)Cn1ccc(C(=O)O)n1
558564,CC(C)Cn1ccc(C(=O)O)n1,169.09715,[M+H]+,20.0,test,CC(C)Cn1ccc(C(=O)O)n1
558565,CC(C)Cn1ccc(C(=O)O)n1,169.09715,[M+H]+,20.0,test,CC(C)Cn1ccc(C(=O)O)n1
558566,CC(C)Cn1ccc(C(=O)O)n1,169.09715,[M+H]+,60.0,test,CC(C)Cn1ccc(C(=O)O)n1
558567,CC(C)Cn1ccc(C(=O)O)n1,169.09715,[M+H]+,30.0,test,CC(C)Cn1ccc(C(=O)O)n1
558568,CC(C)Cn1ccc(C(=O)O)n1,169.09715,[M+H]+,20.0,test,CC(C)Cn1ccc(C(=O)O)n1
558569,CC(C)Cn1ccc(C(=O)O)n1,169.09715,[M+H]+,60.0,test,CC(C)Cn1ccc(C(=O)O)n1
558570,CC(C)Cn1ccc(C(=O)O)n1,169.09715,[M+H]+,30.0,test,CC(C)Cn1ccc(C(=O)O)n1
558571,CC(C)Cn1ccc(C(=O)O)n1,169.09715,[M+H]+,20.0,test,CC(C)Cn1ccc(C(=O)O)n1
558572,Cc1nn(CCC(=O)O)c(C)c1,151.08659,[M+H-H2O]+,20.0,test,Cc1cc(C)n(CCC(=O)O)n1
558573,Cc1nn(CCC(=O)O)c(C)c1,151.08659,[M+H-H2O]+,20.0,test,Cc1cc(C)n(CCC(=O)O)n1
558574,Cc1nn(CCC(=O)O)c(C)c1,151.08659,[M+H-H2O]+,60.0,test,Cc1cc(C)n(CCC(=O)O)n1
558575,Cc1nn(CCC(=O)O)c(C)c1,151.08659,[M+H-H2O]+,30.0,test,Cc1cc(C)n(CCC(=O)O)n1
558576,Cc1nn(CCC(=O)O)c(C)c1,151.08659,[M+H-H2O]+,20.0,test,Cc1cc(C)n(CCC(=O)O)n1
558577,Cc1nn(CCC(=O)O)c(C)c1,169.09715,[M+H]+,20.0,test,Cc1cc(C)n(CCC(=O)O)n1
558578,Cc1nn(CCC(=O)O)c(C)c1,169.09715,[M+H]+,20.0,test,Cc1cc(C)n(CCC(=O)O)n1
558579,Cc1nn(CCC(=O)O)c(C)c1,169.09715,[M+H]+,60.0,test,Cc1cc(C)n(CCC(=O)O)n1
558580,Cc1nn(CCC(=O)O)c(C)c1,169.09715,[M+H]+,30.0,test,Cc1cc(C)n(CCC(=O)O)n1
558581,Cc1nn(CCC(=O)O)c(C)c1,169.09715,[M+H]+,20.0,test,Cc1cc(C)n(CCC(=O)O)n1
558582,Cc1nn(CCC(=O)O)c(C)c1,169.09715,[M+H]+,60.0,test,Cc1cc(C)n(CCC(=O)O)n1
558583,Cc1nn(CCC(=O)O)c(C)c1,169.09715,[M+H]+,30.0,test,Cc1cc(C)n(CCC(=O)O)n1
558584,Cc1nn(CCC(=O)O)c(C)c1,169.09715,[M+H]+,20.0,test,Cc1cc(C)n(CCC(=O)O)n1
558585,CCC(C(=O)O)n1cc(C)cn1,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1cc(C)cn1
558586,CCC(C(=O)O)n1cc(C)cn1,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1cc(C)cn1
558587,CCC(C(=O)O)n1cc(C)cn1,169.09715,[M+H]+,60.0,test,CCC(C(=O)O)n1cc(C)cn1
558588,CCC(C(=O)O)n1cc(C)cn1,169.09715,[M+H]+,30.0,test,CCC(C(=O)O)n1cc(C)cn1
558589,CCC(C(=O)O)n1cc(C)cn1,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1cc(C)cn1
558590,CCC(C(=O)O)n1cc(C)cn1,169.09715,[M+H]+,60.0,test,CCC(C(=O)O)n1cc(C)cn1
558591,CCC(C(=O)O)n1cc(C)cn1,169.09715,[M+H]+,30.0,test,CCC(C(=O)O)n1cc(C)cn1
558592,CCC(C(=O)O)n1cc(C)cn1,169.09715,[M+H]+,20.0,test,CCC(C(=O)O)n1cc(C)cn1
558593,Cn1cc(C(C)(C)C(=O)O)cn1,169.09715,[M+H]+,20.0,test,Cn1cc(C(C)(C)C(=O)O)cn1
558594,Cn1cc(C(C)(C)C(=O)O)cn1,169.09715,[M+H]+,20.0,test,Cn1cc(C(C)(C)C(=O)O)cn1
558595,Cn1cc(C(C)(C)C(=O)O)cn1,169.09715,[M+H]+,60.0,test,Cn1cc(C(C)(C)C(=O)O)cn1
558596,Cn1cc(C(C)(C)C(=O)O)cn1,169.09715,[M+H]+,30.0,test,Cn1cc(C(C)(C)C(=O)O)cn1
558597,Cn1cc(C(C)(C)C(=O)O)cn1,169.09715,[M+H]+,20.0,test,Cn1cc(C(C)(C)C(=O)O)cn1
558598,Cn1cc(C(C)(C)C(=O)O)cn1,169.09715,[M+H]+,60.0,test,Cn1cc(C(C)(C)C(=O)O)cn1
558599,Cn1cc(C(C)(C)C(=O)O)cn1,169.09715,[M+H]+,30.0,test,Cn1cc(C(C)(C)C(=O)O)cn1
558600,Cn1cc(C(C)(C)C(=O)O)cn1,169.09715,[M+H]+,20.0,test,Cn1cc(C(C)(C)C(=O)O)cn1
558601,CC(Cc1ccnn1C)C(=O)O,169.09715,[M+H]+,20.0,test,CC(Cc1ccnn1C)C(=O)O
558602,CC(Cc1ccnn1C)C(=O)O,169.09715,[M+H]+,20.0,test,CC(Cc1ccnn1C)C(=O)O
558603,CC(Cc1ccnn1C)C(=O)O,169.09715,[M+H]+,60.0,test,CC(Cc1ccnn1C)C(=O)O
558604,CC(Cc1ccnn1C)C(=O)O,169.09715,[M+H]+,30.0,test,CC(Cc1ccnn1C)C(=O)O
558605,CC(Cc1ccnn1C)C(=O)O,169.09715,[M+H]+,20.0,test,CC(Cc1ccnn1C)C(=O)O
558606,CC(Cc1ccnn1C)C(=O)O,169.09715,[M+H]+,60.0,test,CC(Cc1ccnn1C)C(=O)O
558607,CC(Cc1ccnn1C)C(=O)O,169.09715,[M+H]+,30.0,test,CC(Cc1ccnn1C)C(=O)O
558608,CC(Cc1ccnn1C)C(=O)O,169.09715,[M+H]+,20.0,test,CC(Cc1ccnn1C)C(=O)O
558609,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)O)c1C
558610,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)O)c1C
558611,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,60.0,test,CCn1nc(C)c(C(=O)O)c1C
558612,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,30.0,test,CCn1nc(C)c(C(=O)O)c1C
558613,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)O)c1C
558614,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,45.0,test,CCn1nc(C)c(C(=O)O)c1C
558615,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,60.0,test,CCn1nc(C)c(C(=O)O)c1C
558616,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,20.0,test,CCn1nc(C)c(C(=O)O)c1C
558617,CCn1nc(C)c(C(=O)O)c1C,169.09715,[M+H]+,45.0,test,CCn1nc(C)c(C(=O)O)c1C
558618,CC(CC(=O)O)c1cn(C)nc1,169.09715,[M+H]+,20.0,test,CC(CC(=O)O)c1cnn(C)c1
558619,CC(CC(=O)O)c1cn(C)nc1,169.09715,[M+H]+,20.0,test,CC(CC(=O)O)c1cnn(C)c1
558620,CC(CC(=O)O)c1cn(C)nc1,169.09715,[M+H]+,60.0,test,CC(CC(=O)O)c1cnn(C)c1
558621,CC(CC(=O)O)c1cn(C)nc1,169.09715,[M+H]+,30.0,test,CC(CC(=O)O)c1cnn(C)c1
558622,CC(CC(=O)O)c1cn(C)nc1,169.09715,[M+H]+,20.0,test,CC(CC(=O)O)c1cnn(C)c1
558623,CC(CC(=O)O)c1cn(C)nc1,169.09715,[M+H]+,60.0,test,CC(CC(=O)O)c1cnn(C)c1
558624,CC(CC(=O)O)c1cn(C)nc1,169.09715,[M+H]+,30.0,test,CC(CC(=O)O)c1cnn(C)c1
558625,CC(CC(=O)O)c1cn(C)nc1,169.09715,[M+H]+,20.0,test,CC(CC(=O)O)c1cnn(C)c1
558626,Cc1nn(C)cc1CCC(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C)cc1CCC(=O)O
558627,Cc1nn(C)cc1CCC(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C)cc1CCC(=O)O
558628,Cc1nn(C)cc1CCC(=O)O,169.09715,[M+H]+,60.0,test,Cc1nn(C)cc1CCC(=O)O
558629,Cc1nn(C)cc1CCC(=O)O,169.09715,[M+H]+,30.0,test,Cc1nn(C)cc1CCC(=O)O
558630,Cc1nn(C)cc1CCC(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C)cc1CCC(=O)O
558631,Cc1nn(C)cc1CCC(=O)O,169.09715,[M+H]+,60.0,test,Cc1nn(C)cc1CCC(=O)O
558632,Cc1nn(C)cc1CCC(=O)O,169.09715,[M+H]+,30.0,test,Cc1nn(C)cc1CCC(=O)O
558633,Cc1nn(C)cc1CCC(=O)O,169.09715,[M+H]+,20.0,test,Cc1nn(C)cc1CCC(=O)O
558634,CCc1c(C(=O)O)cnn1CC,169.09715,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1CC
558635,CCc1c(C(=O)O)cnn1CC,169.09715,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1CC
558636,CCc1c(C(=O)O)cnn1CC,169.09715,[M+H]+,60.0,test,CCc1c(C(=O)O)cnn1CC
558637,CCc1c(C(=O)O)cnn1CC,169.09715,[M+H]+,30.0,test,CCc1c(C(=O)O)cnn1CC
558638,CCc1c(C(=O)O)cnn1CC,169.09715,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1CC
558639,CCc1c(C(=O)O)cnn1CC,169.09715,[M+H]+,60.0,test,CCc1c(C(=O)O)cnn1CC
558640,CCc1c(C(=O)O)cnn1CC,169.09715,[M+H]+,30.0,test,CCc1c(C(=O)O)cnn1CC
558641,CCc1c(C(=O)O)cnn1CC,169.09715,[M+H]+,20.0,test,CCc1c(C(=O)O)cnn1CC
558642,CC(C)Cn1nccc1C(=O)O,169.09715,[M+H]+,20.0,test,CC(C)Cn1nccc1C(=O)O
558643,CC(C)Cn1nccc1C(=O)O,169.09715,[M+H]+,20.0,test,CC(C)Cn1nccc1C(=O)O
558644,CC(C)Cn1nccc1C(=O)O,169.09715,[M+H]+,60.0,test,CC(C)Cn1nccc1C(=O)O
558645,CC(C)Cn1nccc1C(=O)O,169.09715,[M+H]+,15.0,test,CC(C)Cn1nccc1C(=O)O
558646,CC(C)Cn1nccc1C(=O)O,169.09715,[M+H]+,20.0,test,CC(C)Cn1nccc1C(=O)O
558647,CC(C)Cn1nccc1C(=O)O,169.09715,[M+H]+,60.0,test,CC(C)Cn1nccc1C(=O)O
558648,CC(C)Cn1nccc1C(=O)O,169.09715,[M+H]+,15.0,test,CC(C)Cn1nccc1C(=O)O
558649,CC(C)Cn1nccc1C(=O)O,169.09715,[M+H]+,20.0,test,CC(C)Cn1nccc1C(=O)O
558650,Cc1ncc(CO)c(CN)c1O,151.08659,[M+H-H2O]+,20.0,test,Cc1ncc(CO)c(CN)c1O
558651,Cc1ncc(CO)c(CN)c1O,151.08659,[M+H-H2O]+,20.0,test,Cc1ncc(CO)c(CN)c1O
558652,Cc1ncc(CO)c(CN)c1O,151.08659,[M+H-H2O]+,60.0,test,Cc1ncc(CO)c(CN)c1O
558653,Cc1ncc(CO)c(CN)c1O,151.08659,[M+H-H2O]+,20.0,test,Cc1ncc(CO)c(CN)c1O
558654,Cc1ncc(CO)c(CN)c1O,151.08659,[M+H-H2O]+,45.0,test,Cc1ncc(CO)c(CN)c1O
558655,Cc1ncc(CO)c(CN)c1O,169.09715,[M+H]+,20.0,test,Cc1ncc(CO)c(CN)c1O
558656,Cc1ncc(CO)c(CN)c1O,169.09715,[M+H]+,20.0,test,Cc1ncc(CO)c(CN)c1O
558657,Cc1ncc(CO)c(CN)c1O,169.09715,[M+H]+,60.0,test,Cc1ncc(CO)c(CN)c1O
558658,Cc1ncc(CO)c(CN)c1O,169.09715,[M+H]+,15.0,test,Cc1ncc(CO)c(CN)c1O
558659,Cc1ncc(CO)c(CN)c1O,169.09715,[M+H]+,20.0,test,Cc1ncc(CO)c(CN)c1O
558660,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,20.0,test,C#CC(C)(C)N1CNC(=S)NC1
558661,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,20.0,test,C#CC(C)(C)N1CNC(=S)NC1
558662,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,60.0,test,C#CC(C)(C)N1CNC(=S)NC1
558663,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,15.0,test,C#CC(C)(C)N1CNC(=S)NC1
558664,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,20.0,test,C#CC(C)(C)N1CNC(=S)NC1
558665,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,20.0,test,C#CC(C)(C)N1CNC(=S)NC1
558666,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,20.0,test,C#CC(C)(C)N1CNC(=S)NC1
558667,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,60.0,test,C#CC(C)(C)N1CNC(=S)NC1
558668,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,15.0,test,C#CC(C)(C)N1CNC(=S)NC1
558669,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,20.0,test,C#CC(C)(C)N1CNC(=S)NC1
558670,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,60.0,test,C#CC(C)(C)N1CNC(=S)NC1
558671,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,15.0,test,C#CC(C)(C)N1CNC(=S)NC1
558672,C#CC(C)(C)N1CNC(=S)NC1,184.09029,[M+H]+,20.0,test,C#CC(C)(C)N1CNC(=S)NC1
558673,CCNc1nc(NC(C)C)nc(Cl)n1,216.10105,[M+H]+,20.0,test,CCNc1nc(Cl)nc(NC(C)C)n1
558674,CCNc1nc(NC(C)C)nc(Cl)n1,216.10105,[M+H]+,20.0,test,CCNc1nc(Cl)nc(NC(C)C)n1
558675,CCNc1nc(NC(C)C)nc(Cl)n1,216.10105,[M+H]+,60.0,test,CCNc1nc(Cl)nc(NC(C)C)n1
558676,CCNc1nc(NC(C)C)nc(Cl)n1,216.10105,[M+H]+,20.0,test,CCNc1nc(Cl)nc(NC(C)C)n1
558677,CCNc1nc(NC(C)C)nc(Cl)n1,216.10105,[M+H]+,45.0,test,CCNc1nc(Cl)nc(NC(C)C)n1
558678,CCNc1nc(NC(C)C)nc(Cl)n1,216.10105,[M+H]+,60.0,test,CCNc1nc(Cl)nc(NC(C)C)n1
558679,CCNc1nc(NC(C)C)nc(Cl)n1,216.10105,[M+H]+,20.0,test,CCNc1nc(Cl)nc(NC(C)C)n1
558680,CCNc1nc(NC(C)C)nc(Cl)n1,216.10105,[M+H]+,45.0,test,CCNc1nc(Cl)nc(NC(C)C)n1
558681,N=S1(=O)CCC2(CC1)CNCCO2,205.10052,[M+H]+,20.0,test,N=S1(=O)CCC2(CC1)CNCCO2
558682,N=S1(=O)CCC2(CC1)CNCCO2,205.10052,[M+H]+,20.0,test,N=S1(=O)CCC2(CC1)CNCCO2
558683,N=S1(=O)CCC2(CC1)CNCCO2,205.10052,[M+H]+,60.0,test,N=S1(=O)CCC2(CC1)CNCCO2
558684,N=S1(=O)CCC2(CC1)CNCCO2,205.10052,[M+H]+,15.0,test,N=S1(=O)CCC2(CC1)CNCCO2
558685,N=S1(=O)CCC2(CC1)CNCCO2,205.10052,[M+H]+,20.0,test,N=S1(=O)CCC2(CC1)CNCCO2
558686,N=S1(=O)CCC2(CC1)CNCCO2,205.10052,[M+H]+,45.0,test,N=S1(=O)CCC2(CC1)CNCCO2
558687,N=S1(=O)CCC2(CC1)CNCCO2,205.10052,[M+H]+,60.0,test,N=S1(=O)CCC2(CC1)CNCCO2
558688,N=S1(=O)CCC2(CC1)CNCCO2,205.10052,[M+H]+,20.0,test,N=S1(=O)CCC2(CC1)CNCCO2
558689,CC(N)=NCCCC[C@H](N)C(=O)O,188.13935,[M+H]+,20.0,test,CC(N)=NCCCC[C@H](N)C(=O)O
558690,CC(N)=NCCCC[C@H](N)C(=O)O,188.13935,[M+H]+,20.0,test,CC(N)=NCCCC[C@H](N)C(=O)O
558691,CC(N)=NCCCC[C@H](N)C(=O)O,188.13935,[M+H]+,60.0,test,CC(N)=NCCCC[C@H](N)C(=O)O
558692,CC(N)=NCCCC[C@H](N)C(=O)O,188.13935,[M+H]+,30.0,test,CC(N)=NCCCC[C@H](N)C(=O)O
558693,CC(N)=NCCCC[C@H](N)C(=O)O,188.13935,[M+H]+,20.0,test,CC(N)=NCCCC[C@H](N)C(=O)O
558694,CC[N+](CC)(CC)CC,130.15903,[M]+,20.0,test,CC[N+](CC)(CC)CC
558695,CC[N+](CC)(CC)CC,130.15903,[M]+,20.0,test,CC[N+](CC)(CC)CC
558696,CC[N+](CC)(CC)CC,130.15903,[M]+,60.0,test,CC[N+](CC)(CC)CC
558697,CC[N+](CC)(CC)CC,130.15903,[M]+,20.0,test,CC[N+](CC)(CC)CC
558698,CC[N+](CC)(CC)CC,130.15903,[M]+,45.0,test,CC[N+](CC)(CC)CC
558699,CC[N+](CC)(CC)CC,130.15903,[M]+,60.0,test,CC[N+](CC)(CC)CC
558700,CC[N+](CC)(CC)CC,130.15903,[M]+,20.0,test,CC[N+](CC)(CC)CC
558701,CC[N+](CC)(CC)CC,130.15903,[M]+,45.0,test,CC[N+](CC)(CC)CC
558702,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12,228.95771,[M-H]-,20.0,test,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12
558703,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12,228.95771,[M-H]-,20.0,test,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12
558704,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12,228.95771,[M-H]-,60.0,test,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12
558705,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12,228.95771,[M-H]-,30.0,test,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12
558706,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12,228.95771,[M-H]-,20.0,test,O=Nc1c(O)[nH]c2c(Cl)c(Cl)ccc12
558707,COc1c(Br)cc(C(=O)O)cc1Br,306.86109,[M-H]-,20.0,test,COc1c(Br)cc(C(=O)O)cc1Br
558708,COc1c(Br)cc(C(=O)O)cc1Br,306.86109,[M-H]-,20.0,test,COc1c(Br)cc(C(=O)O)cc1Br
558709,COc1c(Br)cc(C(=O)O)cc1Br,306.86109,[M-H]-,60.0,test,COc1c(Br)cc(C(=O)O)cc1Br
558710,COc1c(Br)cc(C(=O)O)cc1Br,306.86109,[M-H]-,30.0,test,COc1c(Br)cc(C(=O)O)cc1Br
558711,COc1c(Br)cc(C(=O)O)cc1Br,306.86109,[M-H]-,20.0,test,COc1c(Br)cc(C(=O)O)cc1Br
558712,COc1c(F)c(C(=O)O)c(F)cc1,187.02122,[M-H]-,20.0,test,COc1ccc(F)c(C(=O)O)c1F
558713,COc1c(F)c(C(=O)O)c(F)cc1,187.02122,[M-H]-,20.0,test,COc1ccc(F)c(C(=O)O)c1F
558714,COc1c(F)c(C(=O)O)c(F)cc1,187.02122,[M-H]-,30.0,test,COc1ccc(F)c(C(=O)O)c1F
558715,COc1c(F)c(C(=O)O)c(F)cc1,187.02122,[M-H]-,20.0,test,COc1ccc(F)c(C(=O)O)c1F
558716,O=C(O)c1ccccc1OC(F)F,187.02122,[M-H]-,20.0,test,O=C(O)c1ccccc1OC(F)F
558717,O=C(O)c1ccccc1OC(F)F,187.02122,[M-H]-,20.0,test,O=C(O)c1ccccc1OC(F)F
558718,O=C(O)c1ccccc1OC(F)F,187.02122,[M-H]-,60.0,test,O=C(O)c1ccccc1OC(F)F
558719,O=C(O)c1ccccc1OC(F)F,187.02122,[M-H]-,15.0,test,O=C(O)c1ccccc1OC(F)F
558720,O=C(O)c1ccccc1OC(F)F,187.02122,[M-H]-,20.0,test,O=C(O)c1ccccc1OC(F)F
558721,O=C(O)c1ccccc1OC(F)F,187.02122,[M-H]-,60.0,test,O=C(O)c1ccccc1OC(F)F
558722,O=C(O)c1ccccc1OC(F)F,187.02122,[M-H]-,15.0,test,O=C(O)c1ccccc1OC(F)F
558723,O=C(O)c1ccccc1OC(F)F,187.02122,[M-H]-,20.0,test,O=C(O)c1ccccc1OC(F)F
558724,O=C(O)c1cc(OC(F)F)ccc1,187.02122,[M-H]-,20.0,test,O=C(O)c1cccc(OC(F)F)c1
558725,O=C(O)c1cc(OC(F)F)ccc1,187.02122,[M-H]-,20.0,test,O=C(O)c1cccc(OC(F)F)c1
558726,O=C(O)c1cc(OC(F)F)ccc1,187.02122,[M-H]-,60.0,test,O=C(O)c1cccc(OC(F)F)c1
558727,O=C(O)c1cc(OC(F)F)ccc1,187.02122,[M-H]-,30.0,test,O=C(O)c1cccc(OC(F)F)c1
558728,O=C(O)c1cc(OC(F)F)ccc1,187.02122,[M-H]-,20.0,test,O=C(O)c1cccc(OC(F)F)c1
558729,O=C(O)c1cc(OC(F)F)ccc1,187.02122,[M-H]-,30.0,test,O=C(O)c1cccc(OC(F)F)c1
558730,O=C(O)c1cc(OC(F)F)ccc1,187.02122,[M-H]-,20.0,test,O=C(O)c1cccc(OC(F)F)c1
558731,O=C(O)c1c(C(F)(F)F)nc(C2CC2)s1,235.99986,[M-H]-,20.0,test,O=C(O)c1sc(C2CC2)nc1C(F)(F)F
558732,O=C(O)c1c(C(F)(F)F)nc(C2CC2)s1,235.99986,[M-H]-,20.0,test,O=C(O)c1sc(C2CC2)nc1C(F)(F)F
558733,O=C(O)c1c(C(F)(F)F)nc(C2CC2)s1,235.99986,[M-H]-,60.0,test,O=C(O)c1sc(C2CC2)nc1C(F)(F)F
558734,O=C(O)c1c(C(F)(F)F)nc(C2CC2)s1,235.99986,[M-H]-,15.0,test,O=C(O)c1sc(C2CC2)nc1C(F)(F)F
558735,O=C(O)c1c(C(F)(F)F)nc(C2CC2)s1,235.99986,[M-H]-,20.0,test,O=C(O)c1sc(C2CC2)nc1C(F)(F)F
558736,O=C(O)c1ccc(-c2ccn[nH]2)s1,193.00772,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558737,O=C(O)c1ccc(-c2ccn[nH]2)s1,193.00772,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558738,O=C(O)c1ccc(-c2ccn[nH]2)s1,193.00772,[M-H]-,60.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558739,O=C(O)c1ccc(-c2ccn[nH]2)s1,193.00772,[M-H]-,15.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558740,O=C(O)c1ccc(-c2ccn[nH]2)s1,193.00772,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558741,Cc1csc2c1ncnc2C(=O)O,193.00772,[M-H]-,20.0,test,Cc1csc2c(C(=O)O)ncnc12
558742,Cc1csc2c1ncnc2C(=O)O,193.00772,[M-H]-,20.0,test,Cc1csc2c(C(=O)O)ncnc12
558743,Cc1csc2c1ncnc2C(=O)O,193.00772,[M-H]-,60.0,test,Cc1csc2c(C(=O)O)ncnc12
558744,Cc1csc2c1ncnc2C(=O)O,193.00772,[M-H]-,15.0,test,Cc1csc2c(C(=O)O)ncnc12
558745,Cc1csc2c1ncnc2C(=O)O,193.00772,[M-H]-,20.0,test,Cc1csc2c(C(=O)O)ncnc12
558746,O=C(O)c1n[nH]c(-c2cccs2)c1,193.00772,[M-H]-,20.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558747,O=C(O)c1n[nH]c(-c2cccs2)c1,193.00772,[M-H]-,20.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558748,O=C(O)c1n[nH]c(-c2cccs2)c1,193.00772,[M-H]-,60.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558749,O=C(O)c1n[nH]c(-c2cccs2)c1,193.00772,[M-H]-,15.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558750,O=C(O)c1n[nH]c(-c2cccs2)c1,193.00772,[M-H]-,20.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558751,O=C(O)c1n[nH]c(-c2cccs2)c1,193.00772,[M-H]-,60.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558752,O=C(O)c1n[nH]c(-c2cccs2)c1,193.00772,[M-H]-,15.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558753,O=C(O)c1n[nH]c(-c2cccs2)c1,193.00772,[M-H]-,20.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558754,Cc1nsc2c1cc(C(=O)O)cn2,193.00772,[M-H]-,20.0,test,Cc1nsc2ncc(C(=O)O)cc12
558755,Cc1nsc2c1cc(C(=O)O)cn2,193.00772,[M-H]-,20.0,test,Cc1nsc2ncc(C(=O)O)cc12
558756,Cc1nsc2c1cc(C(=O)O)cn2,193.00772,[M-H]-,60.0,test,Cc1nsc2ncc(C(=O)O)cc12
558757,Cc1nsc2c1cc(C(=O)O)cn2,193.00772,[M-H]-,30.0,test,Cc1nsc2ncc(C(=O)O)cc12
558758,Cc1nsc2c1cc(C(=O)O)cn2,193.00772,[M-H]-,20.0,test,Cc1nsc2ncc(C(=O)O)cc12
558759,Cc1nsc2c1cc(C(=O)O)cn2,193.00772,[M-H]-,60.0,test,Cc1nsc2ncc(C(=O)O)cc12
558760,Cc1nsc2c1cc(C(=O)O)cn2,193.00772,[M-H]-,30.0,test,Cc1nsc2ncc(C(=O)O)cc12
558761,Cc1nsc2c1cc(C(=O)O)cn2,193.00772,[M-H]-,20.0,test,Cc1nsc2ncc(C(=O)O)cc12
558762,Cc1nsc2c1cc(C(=O)O)cn2,195.02227,[M+H]+,20.0,test,Cc1nsc2ncc(C(=O)O)cc12
558763,Cc1nsc2c1cc(C(=O)O)cn2,195.02227,[M+H]+,20.0,test,Cc1nsc2ncc(C(=O)O)cc12
558764,Cc1nsc2c1cc(C(=O)O)cn2,195.02227,[M+H]+,60.0,test,Cc1nsc2ncc(C(=O)O)cc12
558765,Cc1nsc2c1cc(C(=O)O)cn2,195.02227,[M+H]+,20.0,test,Cc1nsc2ncc(C(=O)O)cc12
558766,Cc1nsc2c1cc(C(=O)O)cn2,195.02227,[M+H]+,45.0,test,Cc1nsc2ncc(C(=O)O)cc12
558767,Cc1nsc2c1cc(C(=O)O)cn2,195.02227,[M+H]+,60.0,test,Cc1nsc2ncc(C(=O)O)cc12
558768,Cc1nsc2c1cc(C(=O)O)cn2,195.02227,[M+H]+,20.0,test,Cc1nsc2ncc(C(=O)O)cc12
558769,Cc1nsc2c1cc(C(=O)O)cn2,195.02227,[M+H]+,45.0,test,Cc1nsc2ncc(C(=O)O)cc12
558770,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558771,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558772,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,60.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558773,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558774,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558775,O=C(O)c1n[nH]c(-c2cccs2)c1,195.02227,[M+H]+,20.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558776,O=C(O)c1n[nH]c(-c2cccs2)c1,195.02227,[M+H]+,20.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558777,O=C(O)c1n[nH]c(-c2cccs2)c1,195.02227,[M+H]+,60.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558778,O=C(O)c1n[nH]c(-c2cccs2)c1,195.02227,[M+H]+,15.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558779,O=C(O)c1n[nH]c(-c2cccs2)c1,195.02227,[M+H]+,20.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558780,O=C(O)c1n[nH]c(-c2cccs2)c1,195.02227,[M+H]+,45.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558781,O=C(O)c1n[nH]c(-c2cccs2)c1,195.02227,[M+H]+,60.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558782,O=C(O)c1n[nH]c(-c2cccs2)c1,195.02227,[M+H]+,20.0,test,O=C(O)c1cc(-c2cccs2)[nH]n1
558783,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558784,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558785,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,60.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558786,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558787,O=C(O)c1ccc(-c2c[nH]nc2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2cn[nH]c2)s1
558788,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558789,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558790,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,60.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558791,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558792,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558793,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,60.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558794,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558795,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558796,Cc1csc2c1ncnc2C(=O)O,195.02227,[M+H]+,20.0,test,Cc1csc2c(C(=O)O)ncnc12
558797,Cc1csc2c1ncnc2C(=O)O,195.02227,[M+H]+,20.0,test,Cc1csc2c(C(=O)O)ncnc12
558798,Cc1csc2c1ncnc2C(=O)O,195.02227,[M+H]+,60.0,test,Cc1csc2c(C(=O)O)ncnc12
558799,Cc1csc2c1ncnc2C(=O)O,195.02227,[M+H]+,30.0,test,Cc1csc2c(C(=O)O)ncnc12
558800,Cc1csc2c1ncnc2C(=O)O,195.02227,[M+H]+,20.0,test,Cc1csc2c(C(=O)O)ncnc12
558801,Cc1csc2c1ncnc2C(=O)O,195.02227,[M+H]+,60.0,test,Cc1csc2c(C(=O)O)ncnc12
558802,Cc1csc2c1ncnc2C(=O)O,195.02227,[M+H]+,30.0,test,Cc1csc2c(C(=O)O)ncnc12
558803,Cc1csc2c1ncnc2C(=O)O,195.02227,[M+H]+,20.0,test,Cc1csc2c(C(=O)O)ncnc12
558804,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558805,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558806,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,60.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558807,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558808,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558809,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,60.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558810,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558811,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558812,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558813,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558814,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,60.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558815,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558816,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558817,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,60.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558818,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,30.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558819,O=C(O)c1ccc(-c2ccn[nH]2)s1,195.02227,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ccn[nH]2)s1
558820,O=C(O)c1cc(C2CC2)c(Cl)s1,200.97825,[M-H]-,20.0,test,O=C(O)c1cc(C2CC2)c(Cl)s1
558821,O=C(O)c1cc(C2CC2)c(Cl)s1,200.97825,[M-H]-,20.0,test,O=C(O)c1cc(C2CC2)c(Cl)s1
558822,O=C(O)c1cc(C2CC2)c(Cl)s1,200.97825,[M-H]-,15.0,test,O=C(O)c1cc(C2CC2)c(Cl)s1
558823,O=C(O)c1cc(C2CC2)c(Cl)s1,200.97825,[M-H]-,20.0,test,O=C(O)c1cc(C2CC2)c(Cl)s1
558824,NC(C(=O)O)c1c(F)ccc(F)c1,232.04269,[M+FA]-,20.0,test,NC(C(=O)O)c1cc(F)ccc1F
558825,NC(C(=O)O)c1c(F)ccc(F)c1,232.04269,[M+FA]-,20.0,test,NC(C(=O)O)c1cc(F)ccc1F
558826,NC(C(=O)O)c1c(F)ccc(F)c1,232.04269,[M+FA]-,60.0,test,NC(C(=O)O)c1cc(F)ccc1F
558827,NC(C(=O)O)c1c(F)ccc(F)c1,232.04269,[M+FA]-,15.0,test,NC(C(=O)O)c1cc(F)ccc1F
558828,NC(C(=O)O)c1c(F)ccc(F)c1,232.04269,[M+FA]-,20.0,test,NC(C(=O)O)c1cc(F)ccc1F
558829,Cc1cc(C(=O)O)ncc1C(F)F,188.05176,[M+H]+,20.0,test,Cc1cc(C(=O)O)ncc1C(F)F
558830,Cc1cc(C(=O)O)ncc1C(F)F,188.05176,[M+H]+,20.0,test,Cc1cc(C(=O)O)ncc1C(F)F
558831,Cc1cc(C(=O)O)ncc1C(F)F,188.05176,[M+H]+,60.0,test,Cc1cc(C(=O)O)ncc1C(F)F
558832,Cc1cc(C(=O)O)ncc1C(F)F,188.05176,[M+H]+,30.0,test,Cc1cc(C(=O)O)ncc1C(F)F
558833,Cc1cc(C(=O)O)ncc1C(F)F,188.05176,[M+H]+,20.0,test,Cc1cc(C(=O)O)ncc1C(F)F
558834,Cc1cc(C(=O)O)ncc1C(F)F,188.05176,[M+H]+,60.0,test,Cc1cc(C(=O)O)ncc1C(F)F
558835,Cc1cc(C(=O)O)ncc1C(F)F,188.05176,[M+H]+,30.0,test,Cc1cc(C(=O)O)ncc1C(F)F
558836,Cc1cc(C(=O)O)ncc1C(F)F,188.05176,[M+H]+,20.0,test,Cc1cc(C(=O)O)ncc1C(F)F
558837,O=C(O)c1c(C(F)F)nc(C2CC2)o1,202.03212,[M-H]-,20.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558838,O=C(O)c1c(C(F)F)nc(C2CC2)o1,202.03212,[M-H]-,20.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558839,O=C(O)c1c(C(F)F)nc(C2CC2)o1,202.03212,[M-H]-,60.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558840,O=C(O)c1c(C(F)F)nc(C2CC2)o1,202.03212,[M-H]-,15.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558841,O=C(O)c1c(C(F)F)nc(C2CC2)o1,202.03212,[M-H]-,20.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558842,O=C(O)c1c(C(F)F)nc(C2CC2)o1,202.03212,[M-H]-,60.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558843,O=C(O)c1c(C(F)F)nc(C2CC2)o1,202.03212,[M-H]-,15.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558844,O=C(O)c1c(C(F)F)nc(C2CC2)o1,202.03212,[M-H]-,20.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558845,O=C(O)c1cc(=O)n(CC(F)F)cc1,202.03212,[M-H]-,20.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558846,O=C(O)c1cc(=O)n(CC(F)F)cc1,202.03212,[M-H]-,20.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558847,O=C(O)c1cc(=O)n(CC(F)F)cc1,202.03212,[M-H]-,60.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558848,O=C(O)c1cc(=O)n(CC(F)F)cc1,202.03212,[M-H]-,30.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558849,O=C(O)c1cc(=O)n(CC(F)F)cc1,202.03212,[M-H]-,20.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558850,O=C(O)c1cc(=O)n(CC(F)F)cc1,202.03212,[M-H]-,60.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558851,O=C(O)c1cc(=O)n(CC(F)F)cc1,202.03212,[M-H]-,30.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558852,O=C(O)c1cc(=O)n(CC(F)F)cc1,202.03212,[M-H]-,20.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558853,O=C(O)c1c(C(F)F)nc(C2CC2)o1,204.04668,[M+H]+,20.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558854,O=C(O)c1c(C(F)F)nc(C2CC2)o1,204.04668,[M+H]+,20.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558855,O=C(O)c1c(C(F)F)nc(C2CC2)o1,204.04668,[M+H]+,60.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558856,O=C(O)c1c(C(F)F)nc(C2CC2)o1,204.04668,[M+H]+,30.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558857,O=C(O)c1c(C(F)F)nc(C2CC2)o1,204.04668,[M+H]+,20.0,test,O=C(O)c1oc(C2CC2)nc1C(F)F
558858,O=C(O)c1cc(=O)n(CC(F)F)cc1,204.04668,[M+H]+,20.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558859,O=C(O)c1cc(=O)n(CC(F)F)cc1,204.04668,[M+H]+,20.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558860,O=C(O)c1cc(=O)n(CC(F)F)cc1,204.04668,[M+H]+,60.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558861,O=C(O)c1cc(=O)n(CC(F)F)cc1,204.04668,[M+H]+,20.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558862,O=C(O)c1cc(=O)n(CC(F)F)cc1,204.04668,[M+H]+,45.0,test,O=C(O)c1ccn(CC(F)F)c(=O)c1
558863,O=S(=O)(O)Oc1c[nH]c2ccccc12,212.0023,[M-H]-,20.0,test,O=S(=O)(O)Oc1c[nH]c2ccccc12
558864,O=S(=O)(O)Oc1c[nH]c2ccccc12,212.0023,[M-H]-,20.0,test,O=S(=O)(O)Oc1c[nH]c2ccccc12
558865,O=S(=O)(O)Oc1c[nH]c2ccccc12,212.0023,[M-H]-,60.0,test,O=S(=O)(O)Oc1c[nH]c2ccccc12
558866,O=S(=O)(O)Oc1c[nH]c2ccccc12,212.0023,[M-H]-,30.0,test,O=S(=O)(O)Oc1c[nH]c2ccccc12
558867,O=S(=O)(O)Oc1c[nH]c2ccccc12,212.0023,[M-H]-,20.0,test,O=S(=O)(O)Oc1c[nH]c2ccccc12
558868,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,275.0108,[M+FA]-,20.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558869,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,275.0108,[M+FA]-,20.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558870,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,275.0108,[M+FA]-,60.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558871,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,275.0108,[M+FA]-,15.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558872,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,275.0108,[M+FA]-,20.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558873,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,20.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558874,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,20.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558875,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,60.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558876,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,30.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558877,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,20.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558878,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,231.01988,[M+H]+,45.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558879,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,231.01988,[M+H]+,45.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558880,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,231.01988,[M+H]+,20.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558881,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,231.01988,[M+H]+,60.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558882,NC(N)=N/N=C/c1c(Cl)c(Cl)ccc1,231.01988,[M+H]+,45.0,test,NC(N)=N/N=C/c1cccc(Cl)c1Cl
558883,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,20.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558884,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,20.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558885,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,60.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558886,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,30.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558887,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,20.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558888,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,60.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558889,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,30.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558890,NC(N)=N/N=C/c1c(Cl)cccc1Cl,231.01988,[M+H]+,20.0,test,NC(N)=N/N=C/c1c(Cl)cccc1Cl
558891,O=C(O)C1CC(=O)N(c2nccs2)C1,211.01829,[M-H]-,20.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558892,O=C(O)C1CC(=O)N(c2nccs2)C1,211.01829,[M-H]-,20.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558893,O=C(O)C1CC(=O)N(c2nccs2)C1,211.01829,[M-H]-,60.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558894,O=C(O)C1CC(=O)N(c2nccs2)C1,211.01829,[M-H]-,30.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558895,O=C(O)C1CC(=O)N(c2nccs2)C1,211.01829,[M-H]-,20.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558896,O=C(O)C1CC(=O)N(c2nccs2)C1,195.02228,[M+H-H2O]+,30.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558897,O=C(O)C1CC(=O)N(c2nccs2)C1,195.02228,[M+H-H2O]+,30.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558898,O=C(O)C1CC(=O)N(c2nccs2)C1,195.02228,[M+H-H2O]+,20.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558899,O=C(O)C1CC(=O)N(c2nccs2)C1,195.02228,[M+H-H2O]+,60.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558900,O=C(O)C1CC(=O)N(c2nccs2)C1,195.02228,[M+H-H2O]+,30.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558901,O=C(O)C1CC(=O)N(c2nccs2)C1,213.03284,[M+H]+,20.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558902,O=C(O)C1CC(=O)N(c2nccs2)C1,213.03284,[M+H]+,20.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558903,O=C(O)C1CC(=O)N(c2nccs2)C1,213.03284,[M+H]+,60.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558904,O=C(O)C1CC(=O)N(c2nccs2)C1,213.03284,[M+H]+,20.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558905,O=C(O)C1CC(=O)N(c2nccs2)C1,213.03284,[M+H]+,45.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558906,O=C(O)C1CC(=O)N(c2nccs2)C1,213.03284,[M+H]+,60.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558907,O=C(O)C1CC(=O)N(c2nccs2)C1,213.03284,[M+H]+,20.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558908,O=C(O)C1CC(=O)N(c2nccs2)C1,213.03284,[M+H]+,45.0,test,O=C(O)C1CC(=O)N(c2nccs2)C1
558909,O=C1CN(c2ccccc2)S(=O)(=O)N1,211.01829,[M-H]-,20.0,test,O=C1CN(c2ccccc2)S(=O)(=O)N1
558910,O=C1CN(c2ccccc2)S(=O)(=O)N1,211.01829,[M-H]-,20.0,test,O=C1CN(c2ccccc2)S(=O)(=O)N1
558911,O=C1CN(c2ccccc2)S(=O)(=O)N1,211.01829,[M-H]-,60.0,test,O=C1CN(c2ccccc2)S(=O)(=O)N1
558912,O=C1CN(c2ccccc2)S(=O)(=O)N1,211.01829,[M-H]-,30.0,test,O=C1CN(c2ccccc2)S(=O)(=O)N1
558913,O=C1CN(c2ccccc2)S(=O)(=O)N1,211.01829,[M-H]-,20.0,test,O=C1CN(c2ccccc2)S(=O)(=O)N1
558914,O=C1CN(c2ccccc2)S(=O)(=O)N1,211.01829,[M-H]-,60.0,test,O=C1CN(c2ccccc2)S(=O)(=O)N1
558915,O=C1CN(c2ccccc2)S(=O)(=O)N1,211.01829,[M-H]-,30.0,test,O=C1CN(c2ccccc2)S(=O)(=O)N1
558916,O=C1CN(c2ccccc2)S(=O)(=O)N1,211.01829,[M-H]-,20.0,test,O=C1CN(c2ccccc2)S(=O)(=O)N1
558917,NS(=O)(=O)Cc1noc2ccccc12,211.01829,[M-H]-,20.0,test,NS(=O)(=O)Cc1noc2ccccc12
558918,NS(=O)(=O)Cc1noc2ccccc12,211.01829,[M-H]-,20.0,test,NS(=O)(=O)Cc1noc2ccccc12
558919,NS(=O)(=O)Cc1noc2ccccc12,211.01829,[M-H]-,60.0,test,NS(=O)(=O)Cc1noc2ccccc12
558920,NS(=O)(=O)Cc1noc2ccccc12,211.01829,[M-H]-,15.0,test,NS(=O)(=O)Cc1noc2ccccc12
558921,NS(=O)(=O)Cc1noc2ccccc12,211.01829,[M-H]-,20.0,test,NS(=O)(=O)Cc1noc2ccccc12
558922,NS(=O)(=O)Cc1noc2ccccc12,246.99496,[M+Cl]-,45.0,test,NS(=O)(=O)Cc1noc2ccccc12
558923,NS(=O)(=O)Cc1noc2ccccc12,246.99496,[M+Cl]-,45.0,test,NS(=O)(=O)Cc1noc2ccccc12
558924,NS(=O)(=O)Cc1noc2ccccc12,246.99496,[M+Cl]-,20.0,test,NS(=O)(=O)Cc1noc2ccccc12
558925,NS(=O)(=O)Cc1noc2ccccc12,246.99496,[M+Cl]-,60.0,test,NS(=O)(=O)Cc1noc2ccccc12
558926,NS(=O)(=O)Cc1noc2ccccc12,246.99496,[M+Cl]-,45.0,test,NS(=O)(=O)Cc1noc2ccccc12
558927,N#Cc1c(S(=O)(=O)NCCC(=O)O)ccs1,258.98527,[M-H]-,20.0,test,N#Cc1sccc1S(=O)(=O)NCCC(=O)O
558928,N#Cc1c(S(=O)(=O)NCCC(=O)O)ccs1,258.98527,[M-H]-,20.0,test,N#Cc1sccc1S(=O)(=O)NCCC(=O)O
558929,N#Cc1c(S(=O)(=O)NCCC(=O)O)ccs1,258.98527,[M-H]-,60.0,test,N#Cc1sccc1S(=O)(=O)NCCC(=O)O
558930,N#Cc1c(S(=O)(=O)NCCC(=O)O)ccs1,258.98527,[M-H]-,30.0,test,N#Cc1sccc1S(=O)(=O)NCCC(=O)O
558931,N#Cc1c(S(=O)(=O)NCCC(=O)O)ccs1,258.98527,[M-H]-,20.0,test,N#Cc1sccc1S(=O)(=O)NCCC(=O)O
558932,N#Cc1c(S(=O)(=O)NCCC(=O)O)ccs1,258.98527,[M-H]-,60.0,test,N#Cc1sccc1S(=O)(=O)NCCC(=O)O
558933,N#Cc1c(S(=O)(=O)NCCC(=O)O)ccs1,258.98527,[M-H]-,30.0,test,N#Cc1sccc1S(=O)(=O)NCCC(=O)O
558934,N#Cc1c(S(=O)(=O)NCCC(=O)O)ccs1,258.98527,[M-H]-,20.0,test,N#Cc1sccc1S(=O)(=O)NCCC(=O)O
558935,NNC(=O)CSc1ccccc1[N+](=O)[O-],228.04374,[M+H]+,20.0,test,NNC(=O)CSc1ccccc1[N+](=O)[O-]
558936,NNC(=O)CSc1ccccc1[N+](=O)[O-],228.04374,[M+H]+,20.0,test,NNC(=O)CSc1ccccc1[N+](=O)[O-]
558937,NNC(=O)CSc1ccccc1[N+](=O)[O-],228.04374,[M+H]+,60.0,test,NNC(=O)CSc1ccccc1[N+](=O)[O-]
558938,NNC(=O)CSc1ccccc1[N+](=O)[O-],228.04374,[M+H]+,15.0,test,NNC(=O)CSc1ccccc1[N+](=O)[O-]
558939,NNC(=O)CSc1ccccc1[N+](=O)[O-],228.04374,[M+H]+,20.0,test,NNC(=O)CSc1ccccc1[N+](=O)[O-]
558940,CC(=O)c1ccccc1N,136.07569,[M+H]+,20.0,test,CC(=O)c1ccccc1N
558941,CC(=O)c1ccccc1N,136.07569,[M+H]+,20.0,test,CC(=O)c1ccccc1N
558942,CC(=O)c1ccccc1N,136.07569,[M+H]+,60.0,test,CC(=O)c1ccccc1N
558943,CC(=O)c1ccccc1N,136.07569,[M+H]+,30.0,test,CC(=O)c1ccccc1N
558944,CC(=O)c1ccccc1N,136.07569,[M+H]+,20.0,test,CC(=O)c1ccccc1N
558945,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,20.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558946,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,20.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558947,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,60.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558948,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,30.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558949,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,20.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558950,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,20.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558951,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,20.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558952,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,60.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558953,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,30.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558954,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,20.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558955,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,60.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558956,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,30.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558957,CSc1ncc(Br)c(NCc2nnc(C)o2)n1,315.98622,[M+H]+,20.0,test,CSc1ncc(Br)c(NCc2nnc(C)o2)n1
558958,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,254.04503,[M-H]-,20.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558959,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,254.04503,[M-H]-,20.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558960,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,254.04503,[M-H]-,60.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558961,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,254.04503,[M-H]-,30.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558962,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,254.04503,[M-H]-,20.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558963,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,256.05958,[M+H]+,20.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558964,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,256.05958,[M+H]+,20.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558965,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,256.05958,[M+H]+,60.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558966,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,256.05958,[M+H]+,15.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558967,O=[N+]([O-])NC1=NCCN1Cc1cnc(Cl)cc1,256.05958,[M+H]+,20.0,test,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
558968,CC(C)Oc1c(Cl)cc(C(=O)O)cn1,214.02765,[M-H]-,20.0,test,CC(C)Oc1ncc(C(=O)O)cc1Cl
558969,CC(C)Oc1c(Cl)cc(C(=O)O)cn1,214.02765,[M-H]-,20.0,test,CC(C)Oc1ncc(C(=O)O)cc1Cl
558970,CC(C)Oc1c(Cl)cc(C(=O)O)cn1,214.02765,[M-H]-,30.0,test,CC(C)Oc1ncc(C(=O)O)cc1Cl
558971,CC(C)Oc1c(Cl)cc(C(=O)O)cn1,214.02765,[M-H]-,60.0,test,CC(C)Oc1ncc(C(=O)O)cc1Cl
558972,CC(C)Oc1c(Cl)cc(C(=O)O)cn1,214.02765,[M-H]-,15.0,test,CC(C)Oc1ncc(C(=O)O)cc1Cl
558973,CC(C)Oc1c(Cl)cc(C(=O)O)cn1,214.02765,[M-H]-,20.0,test,CC(C)Oc1ncc(C(=O)O)cc1Cl
558974,CC(C)Oc1c(Cl)cc(C(=O)O)cn1,214.02765,[M-H]-,60.0,test,CC(C)Oc1ncc(C(=O)O)cc1Cl
558975,CC(C)Oc1c(Cl)cc(C(=O)O)cn1,214.02765,[M-H]-,20.0,test,CC(C)Oc1ncc(C(=O)O)cc1Cl
558976,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,214.02765,[M-H]-,20.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558977,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,214.02765,[M-H]-,20.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558978,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,214.02765,[M-H]-,60.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558979,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,214.02765,[M-H]-,30.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558980,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,214.02765,[M-H]-,20.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558981,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,216.0422,[M+H]+,20.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558982,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,216.0422,[M+H]+,20.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558983,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,216.0422,[M+H]+,60.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558984,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,216.0422,[M+H]+,15.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558985,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,216.0422,[M+H]+,20.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558986,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,216.0422,[M+H]+,60.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558987,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,216.0422,[M+H]+,15.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558988,N[C@@H](Cc1cc(Cl)c(O)cc1)C(=O)O,216.0422,[M+H]+,20.0,test,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
558989,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
558990,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
558991,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,60.0,test,Nc1ncc2c(c1C(=O)O)CCC2
558992,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,30.0,test,Nc1ncc2c(c1C(=O)O)CCC2
558993,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
558994,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,20.0,test,O=C(O)C1CCc2ncncc2C1
558995,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,20.0,test,O=C(O)C1CCc2ncncc2C1
558996,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,60.0,test,O=C(O)C1CCc2ncncc2C1
558997,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,30.0,test,O=C(O)C1CCc2ncncc2C1
558998,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,20.0,test,O=C(O)C1CCc2ncncc2C1
558999,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,60.0,test,O=C(O)C1CCc2ncncc2C1
559000,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,30.0,test,O=C(O)C1CCc2ncncc2C1
559001,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,20.0,test,O=C(O)C1CCc2ncncc2C1
559002,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,20.0,test,O=C(O)C1CCc2ncncc2C1
559003,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,20.0,test,O=C(O)C1CCc2ncncc2C1
559004,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,60.0,test,O=C(O)C1CCc2ncncc2C1
559005,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,30.0,test,O=C(O)C1CCc2ncncc2C1
559006,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,20.0,test,O=C(O)C1CCc2ncncc2C1
559007,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,60.0,test,O=C(O)C1CCc2ncncc2C1
559008,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,30.0,test,O=C(O)C1CCc2ncncc2C1
559009,O=C(O)C1CCc2ncncc2C1,177.06695,[M-H]-,20.0,test,O=C(O)C1CCc2ncncc2C1
559010,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559011,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559012,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,60.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559013,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,30.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559014,Nc1ncc2CCCc2c1C(=O)O,177.06695,[M-H]-,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559015,O=C(O)C1CCc2ncncc2C1,179.0815,[M+H]+,20.0,test,O=C(O)C1CCc2ncncc2C1
559016,O=C(O)C1CCc2ncncc2C1,179.0815,[M+H]+,20.0,test,O=C(O)C1CCc2ncncc2C1
559017,O=C(O)C1CCc2ncncc2C1,179.0815,[M+H]+,60.0,test,O=C(O)C1CCc2ncncc2C1
559018,O=C(O)C1CCc2ncncc2C1,179.0815,[M+H]+,20.0,test,O=C(O)C1CCc2ncncc2C1
559019,O=C(O)C1CCc2ncncc2C1,179.0815,[M+H]+,45.0,test,O=C(O)C1CCc2ncncc2C1
559020,O=C(O)C1CCc2ncncc2C1,179.0815,[M+H]+,60.0,test,O=C(O)C1CCc2ncncc2C1
559021,O=C(O)C1CCc2ncncc2C1,179.0815,[M+H]+,20.0,test,O=C(O)C1CCc2ncncc2C1
559022,O=C(O)C1CCc2ncncc2C1,179.0815,[M+H]+,45.0,test,O=C(O)C1CCc2ncncc2C1
559023,Nc1ncc2CCCc2c1C(=O)O,161.07094,[M+H-H2O]+,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559024,Nc1ncc2CCCc2c1C(=O)O,161.07094,[M+H-H2O]+,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559025,Nc1ncc2CCCc2c1C(=O)O,161.07094,[M+H-H2O]+,60.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559026,Nc1ncc2CCCc2c1C(=O)O,161.07094,[M+H-H2O]+,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559027,Nc1ncc2CCCc2c1C(=O)O,161.07094,[M+H-H2O]+,45.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559028,Nc1ncc2CCCc2c1C(=O)O,161.07094,[M+H-H2O]+,60.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559029,Nc1ncc2CCCc2c1C(=O)O,161.07094,[M+H-H2O]+,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559030,Nc1ncc2CCCc2c1C(=O)O,161.07094,[M+H-H2O]+,45.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559031,Nc1ncc2CCCc2c1C(=O)O,179.0815,[M+H]+,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559032,Nc1ncc2CCCc2c1C(=O)O,179.0815,[M+H]+,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559033,Nc1ncc2CCCc2c1C(=O)O,179.0815,[M+H]+,60.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559034,Nc1ncc2CCCc2c1C(=O)O,179.0815,[M+H]+,30.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559035,Nc1ncc2CCCc2c1C(=O)O,179.0815,[M+H]+,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559036,Nc1ncc2CCCc2c1C(=O)O,179.0815,[M+H]+,60.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559037,Nc1ncc2CCCc2c1C(=O)O,179.0815,[M+H]+,30.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559038,Nc1ncc2CCCc2c1C(=O)O,179.0815,[M+H]+,20.0,test,Nc1ncc2c(c1C(=O)O)CCC2
559039,O=C(O)c1nc2c(cc1)NCCC2,161.07094,[M+H-H2O]+,20.0,test,O=C(O)c1ccc2c(n1)CCCN2
559040,O=C(O)c1nc2c(cc1)NCCC2,161.07094,[M+H-H2O]+,20.0,test,O=C(O)c1ccc2c(n1)CCCN2
559041,O=C(O)c1nc2c(cc1)NCCC2,161.07094,[M+H-H2O]+,60.0,test,O=C(O)c1ccc2c(n1)CCCN2
559042,O=C(O)c1nc2c(cc1)NCCC2,161.07094,[M+H-H2O]+,30.0,test,O=C(O)c1ccc2c(n1)CCCN2
559043,O=C(O)c1nc2c(cc1)NCCC2,161.07094,[M+H-H2O]+,20.0,test,O=C(O)c1ccc2c(n1)CCCN2
559044,O=C(O)c1nc2c(cc1)NCCC2,179.0815,[M+H]+,20.0,test,O=C(O)c1ccc2c(n1)CCCN2
559045,O=C(O)c1nc2c(cc1)NCCC2,179.0815,[M+H]+,20.0,test,O=C(O)c1ccc2c(n1)CCCN2
559046,O=C(O)c1nc2c(cc1)NCCC2,179.0815,[M+H]+,60.0,test,O=C(O)c1ccc2c(n1)CCCN2
559047,O=C(O)c1nc2c(cc1)NCCC2,179.0815,[M+H]+,30.0,test,O=C(O)c1ccc2c(n1)CCCN2
559048,O=C(O)c1nc2c(cc1)NCCC2,179.0815,[M+H]+,20.0,test,O=C(O)c1ccc2c(n1)CCCN2
559049,O=C(O)c1nc2c(cc1)NCCC2,179.0815,[M+H]+,45.0,test,O=C(O)c1ccc2c(n1)CCCN2
559050,O=C(O)c1nc2c(cc1)NCCC2,179.0815,[M+H]+,60.0,test,O=C(O)c1ccc2c(n1)CCCN2
559051,O=C(O)c1nc2c(cc1)NCCC2,179.0815,[M+H]+,20.0,test,O=C(O)c1ccc2c(n1)CCCN2
559052,O=C(O)c1nn2CC3(CC3)Cc2c1,161.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559053,O=C(O)c1nn2CC3(CC3)Cc2c1,161.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559054,O=C(O)c1nn2CC3(CC3)Cc2c1,161.07094,[M+H-H2O]+,60.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559055,O=C(O)c1nn2CC3(CC3)Cc2c1,161.07094,[M+H-H2O]+,30.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559056,O=C(O)c1nn2CC3(CC3)Cc2c1,161.07094,[M+H-H2O]+,20.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559057,O=C(O)c1nn2CC3(CC3)Cc2c1,179.0815,[M+H]+,20.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559058,O=C(O)c1nn2CC3(CC3)Cc2c1,179.0815,[M+H]+,20.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559059,O=C(O)c1nn2CC3(CC3)Cc2c1,179.0815,[M+H]+,60.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559060,O=C(O)c1nn2CC3(CC3)Cc2c1,179.0815,[M+H]+,20.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559061,O=C(O)c1nn2CC3(CC3)Cc2c1,179.0815,[M+H]+,45.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559062,O=C(O)c1nn2CC3(CC3)Cc2c1,179.0815,[M+H]+,60.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559063,O=C(O)c1nn2CC3(CC3)Cc2c1,179.0815,[M+H]+,20.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559064,O=C(O)c1nn2CC3(CC3)Cc2c1,179.0815,[M+H]+,45.0,test,O=C(O)c1cc2n(n1)CC1(CC1)C2
559065,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,304.97786,[M-H]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br
559066,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,304.97786,[M-H]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br
559067,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,304.97786,[M-H]-,60.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br
559068,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,304.97786,[M-H]-,30.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br
559069,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,304.97786,[M-H]-,20.0,test,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br
559070,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,262.06449,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559071,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,262.06449,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559072,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,262.06449,[M-H]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559073,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,262.06449,[M-H]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559074,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,262.06449,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559075,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,298.04116,[M+Cl]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559076,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,298.04116,[M+Cl]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559077,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559078,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559079,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559080,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559081,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559082,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559083,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559084,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559085,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,30.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559086,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559087,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559088,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,30.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559089,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559090,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559091,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559092,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559093,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,30.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559094,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559095,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559096,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559097,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559098,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559099,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,308.06996,[M+FA]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559100,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559101,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559102,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559103,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,30.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559104,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559105,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,30.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559106,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559107,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559108,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559109,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559110,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,30.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559111,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559112,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559113,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,30.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559114,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1,264.07904,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
559115,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,218.06342,[M-H]-,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559116,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,218.06342,[M-H]-,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559117,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,218.06342,[M-H]-,60.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559118,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,218.06342,[M-H]-,15.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559119,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,218.06342,[M-H]-,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559120,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,264.0689,[M+FA]-,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559121,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,264.0689,[M+FA]-,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559122,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,264.0689,[M+FA]-,60.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559123,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,264.0689,[M+FA]-,30.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559124,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,264.0689,[M+FA]-,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559125,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,264.0689,[M+FA]-,60.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559126,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,264.0689,[M+FA]-,30.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559127,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,264.0689,[M+FA]-,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559128,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,220.07798,[M+H]+,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559129,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,220.07798,[M+H]+,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559130,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,220.07798,[M+H]+,60.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559131,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,220.07798,[M+H]+,20.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559132,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1,220.07798,[M+H]+,45.0,test,CC(C)(C)c1nc(C(F)F)c(C(=O)O)o1
559133,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,229.09064,[M-H]-,20.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559134,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,229.09064,[M-H]-,20.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559135,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,229.09064,[M-H]-,60.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559136,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,229.09064,[M-H]-,45.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559137,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,229.09064,[M-H]-,60.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559138,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,229.09064,[M-H]-,45.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559139,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,231.10519,[M+H]+,20.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559140,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,231.10519,[M+H]+,20.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559141,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,231.10519,[M+H]+,60.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559142,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,231.10519,[M+H]+,30.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559143,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,231.10519,[M+H]+,20.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559144,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,231.10519,[M+H]+,60.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559145,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,231.10519,[M+H]+,30.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559146,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1,231.10519,[M+H]+,20.0,test,O=c1cc(C(F)F)[nH]c(N2CCNCC2)n1
559147,CCNc1nc(NC(C)(C)C#N)nc(Cl)n1,241.0963,[M+H]+,20.0,test,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1
559148,CCNc1nc(NC(C)(C)C#N)nc(Cl)n1,241.0963,[M+H]+,20.0,test,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1
559149,CCNc1nc(NC(C)(C)C#N)nc(Cl)n1,241.0963,[M+H]+,60.0,test,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1
559150,CCNc1nc(NC(C)(C)C#N)nc(Cl)n1,241.0963,[M+H]+,30.0,test,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1
559151,CCNc1nc(NC(C)(C)C#N)nc(Cl)n1,241.0963,[M+H]+,20.0,test,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1
559152,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559153,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559154,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,60.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559155,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,30.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559156,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559157,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,60.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559158,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,30.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559159,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559160,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559161,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559162,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,60.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559163,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,30.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559164,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559165,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559166,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559167,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,30.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559168,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,60.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559169,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559170,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,45.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559171,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,60.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559172,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,45.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559173,CCCCSc1nc(=O)c(I)c(C)[nH]1,322.97206,[M-H]-,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559174,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559175,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559176,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,60.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559177,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,30.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559178,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559179,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,20.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559180,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,30.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559181,CCCCSc1nc(=O)c(I)c(C)[nH]1,324.98661,[M+H]+,60.0,test,CCCCSc1nc(=O)c(I)c(C)[nH]1
559182,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559183,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559184,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559185,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559186,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559187,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559188,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559189,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559190,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559191,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559192,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559193,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559194,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559195,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559196,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559197,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,278.05492,[M+Cl]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559198,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,278.05492,[M+Cl]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559199,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,278.05492,[M+Cl]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559200,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,278.05492,[M+Cl]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559201,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,278.05492,[M+Cl]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559202,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559203,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559204,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559205,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559206,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559207,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559208,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559209,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559210,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559211,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559212,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559213,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559214,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559215,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559216,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559217,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559218,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559219,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559220,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559221,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559222,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559223,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559224,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559225,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559226,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559227,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559228,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559229,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559230,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559231,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559232,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,242.07825,[M-H]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559233,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559234,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559235,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559236,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559237,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,288.08372,[M+FA]-,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559238,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559239,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559240,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559241,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559242,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559243,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559244,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559245,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559246,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559247,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
559248,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559249,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559250,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,60.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559251,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,15.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559252,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1,244.0928,[M+H]+,20.0,test,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
559253,CCNC(=O)NC1(C(=O)O)CCCC1,199.10882,[M-H]-,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559254,CCNC(=O)NC1(C(=O)O)CCCC1,199.10882,[M-H]-,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559255,CCNC(=O)NC1(C(=O)O)CCCC1,199.10882,[M-H]-,60.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559256,CCNC(=O)NC1(C(=O)O)CCCC1,199.10882,[M-H]-,15.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559257,CCNC(=O)NC1(C(=O)O)CCCC1,199.10882,[M-H]-,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559258,CCNC(=O)NC1(C(=O)O)CCCC1,199.10882,[M-H]-,60.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559259,CCNC(=O)NC1(C(=O)O)CCCC1,199.10882,[M-H]-,15.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559260,CCNC(=O)NC1(C(=O)O)CCCC1,199.10882,[M-H]-,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559261,CCNC(=O)NC1(C(=O)O)CCCC1,235.08549,[M+Cl]-,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559262,CCNC(=O)NC1(C(=O)O)CCCC1,235.08549,[M+Cl]-,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559263,CCNC(=O)NC1(C(=O)O)CCCC1,235.08549,[M+Cl]-,60.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559264,CCNC(=O)NC1(C(=O)O)CCCC1,235.08549,[M+Cl]-,15.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559265,CCNC(=O)NC1(C(=O)O)CCCC1,235.08549,[M+Cl]-,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559266,O=C(O)CNC(=O)NC1CCCCC1,199.10882,[M-H]-,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559267,O=C(O)CNC(=O)NC1CCCCC1,199.10882,[M-H]-,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559268,O=C(O)CNC(=O)NC1CCCCC1,199.10882,[M-H]-,60.0,test,O=C(O)CNC(=O)NC1CCCCC1
559269,O=C(O)CNC(=O)NC1CCCCC1,199.10882,[M-H]-,15.0,test,O=C(O)CNC(=O)NC1CCCCC1
559270,O=C(O)CNC(=O)NC1CCCCC1,199.10882,[M-H]-,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559271,O=C(O)CNC(=O)NC1CCCCC1,199.10882,[M-H]-,60.0,test,O=C(O)CNC(=O)NC1CCCCC1
559272,O=C(O)CNC(=O)NC1CCCCC1,199.10882,[M-H]-,15.0,test,O=C(O)CNC(=O)NC1CCCCC1
559273,O=C(O)CNC(=O)NC1CCCCC1,199.10882,[M-H]-,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559274,O=C(O)CNC(=O)NC1CCCCC1,235.08549,[M+Cl]-,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559275,O=C(O)CNC(=O)NC1CCCCC1,235.08549,[M+Cl]-,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559276,O=C(O)CNC(=O)NC1CCCCC1,235.08549,[M+Cl]-,60.0,test,O=C(O)CNC(=O)NC1CCCCC1
559277,O=C(O)CNC(=O)NC1CCCCC1,235.08549,[M+Cl]-,15.0,test,O=C(O)CNC(=O)NC1CCCCC1
559278,O=C(O)CNC(=O)NC1CCCCC1,235.08549,[M+Cl]-,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559279,CN(C)C(=O)N1CCCC(C(=O)O)C1,199.10882,[M-H]-,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559280,CN(C)C(=O)N1CCCC(C(=O)O)C1,199.10882,[M-H]-,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559281,CN(C)C(=O)N1CCCC(C(=O)O)C1,199.10882,[M-H]-,30.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559282,CN(C)C(=O)N1CCCC(C(=O)O)C1,199.10882,[M-H]-,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559283,CCNC(=O)NC1(C(=O)O)CCCC1,201.12337,[M+H]+,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559284,CCNC(=O)NC1(C(=O)O)CCCC1,201.12337,[M+H]+,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559285,CCNC(=O)NC1(C(=O)O)CCCC1,201.12337,[M+H]+,60.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559286,CCNC(=O)NC1(C(=O)O)CCCC1,201.12337,[M+H]+,15.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559287,CCNC(=O)NC1(C(=O)O)CCCC1,201.12337,[M+H]+,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559288,CCNC(=O)NC1(C(=O)O)CCCC1,201.12337,[M+H]+,60.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559289,CCNC(=O)NC1(C(=O)O)CCCC1,201.12337,[M+H]+,15.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559290,CCNC(=O)NC1(C(=O)O)CCCC1,201.12337,[M+H]+,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559291,CCNC(=O)NC1(C(=O)O)CCCC1,223.10531,[M+Na]+,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559292,CCNC(=O)NC1(C(=O)O)CCCC1,223.10531,[M+Na]+,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559293,CCNC(=O)NC1(C(=O)O)CCCC1,223.10531,[M+Na]+,60.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559294,CCNC(=O)NC1(C(=O)O)CCCC1,223.10531,[M+Na]+,15.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559295,CCNC(=O)NC1(C(=O)O)CCCC1,223.10531,[M+Na]+,20.0,test,CCNC(=O)NC1(C(=O)O)CCCC1
559296,O=C(O)CNC(=O)NC1CCCCC1,201.12337,[M+H]+,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559297,O=C(O)CNC(=O)NC1CCCCC1,201.12337,[M+H]+,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559298,O=C(O)CNC(=O)NC1CCCCC1,201.12337,[M+H]+,60.0,test,O=C(O)CNC(=O)NC1CCCCC1
559299,O=C(O)CNC(=O)NC1CCCCC1,201.12337,[M+H]+,15.0,test,O=C(O)CNC(=O)NC1CCCCC1
559300,O=C(O)CNC(=O)NC1CCCCC1,201.12337,[M+H]+,20.0,test,O=C(O)CNC(=O)NC1CCCCC1
559301,CN(C)C(=O)N1CCC(C(=O)O)CC1,201.12337,[M+H]+,20.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559302,CN(C)C(=O)N1CCC(C(=O)O)CC1,201.12337,[M+H]+,20.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559303,CN(C)C(=O)N1CCC(C(=O)O)CC1,201.12337,[M+H]+,60.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559304,CN(C)C(=O)N1CCC(C(=O)O)CC1,201.12337,[M+H]+,30.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559305,CN(C)C(=O)N1CCC(C(=O)O)CC1,201.12337,[M+H]+,20.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559306,CN(C)C(=O)N1CCC(C(=O)O)CC1,201.12337,[M+H]+,60.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559307,CN(C)C(=O)N1CCC(C(=O)O)CC1,201.12337,[M+H]+,30.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559308,CN(C)C(=O)N1CCC(C(=O)O)CC1,201.12337,[M+H]+,20.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559309,CN(C)C(=O)N1CCC(C(=O)O)CC1,223.10531,[M+Na]+,20.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559310,CN(C)C(=O)N1CCC(C(=O)O)CC1,223.10531,[M+Na]+,20.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559311,CN(C)C(=O)N1CCC(C(=O)O)CC1,223.10531,[M+Na]+,60.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559312,CN(C)C(=O)N1CCC(C(=O)O)CC1,223.10531,[M+Na]+,30.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559313,CN(C)C(=O)N1CCC(C(=O)O)CC1,223.10531,[M+Na]+,20.0,test,CN(C)C(=O)N1CCC(C(=O)O)CC1
559314,CN(C)C(=O)N1CCCC(C(=O)O)C1,183.11281,[M+H-H2O]+,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559315,CN(C)C(=O)N1CCCC(C(=O)O)C1,183.11281,[M+H-H2O]+,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559316,CN(C)C(=O)N1CCCC(C(=O)O)C1,183.11281,[M+H-H2O]+,60.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559317,CN(C)C(=O)N1CCCC(C(=O)O)C1,183.11281,[M+H-H2O]+,30.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559318,CN(C)C(=O)N1CCCC(C(=O)O)C1,183.11281,[M+H-H2O]+,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559319,CN(C)C(=O)N1CCCC(C(=O)O)C1,201.12337,[M+H]+,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559320,CN(C)C(=O)N1CCCC(C(=O)O)C1,201.12337,[M+H]+,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559321,CN(C)C(=O)N1CCCC(C(=O)O)C1,201.12337,[M+H]+,60.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559322,CN(C)C(=O)N1CCCC(C(=O)O)C1,201.12337,[M+H]+,30.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559323,CN(C)C(=O)N1CCCC(C(=O)O)C1,201.12337,[M+H]+,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559324,CN(C)C(=O)N1CCCC(C(=O)O)C1,201.12337,[M+H]+,60.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559325,CN(C)C(=O)N1CCCC(C(=O)O)C1,201.12337,[M+H]+,30.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559326,CN(C)C(=O)N1CCCC(C(=O)O)C1,201.12337,[M+H]+,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559327,CN(C)C(=O)N1CCCC(C(=O)O)C1,223.10531,[M+Na]+,30.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559328,CN(C)C(=O)N1CCCC(C(=O)O)C1,223.10531,[M+Na]+,30.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559329,CN(C)C(=O)N1CCCC(C(=O)O)C1,223.10531,[M+Na]+,20.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559330,CN(C)C(=O)N1CCCC(C(=O)O)C1,223.10531,[M+Na]+,60.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559331,CN(C)C(=O)N1CCCC(C(=O)O)C1,223.10531,[M+Na]+,30.0,test,CN(C)C(=O)N1CCCC(C(=O)O)C1
559332,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,197.14559,[M+H-H2O]+,20.0,test,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
559333,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,197.14559,[M+H-H2O]+,20.0,test,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
559334,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,197.14559,[M+H-H2O]+,60.0,test,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
559335,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,197.14559,[M+H-H2O]+,30.0,test,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
559336,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,197.14559,[M+H-H2O]+,20.0,test,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
559337,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O,197.14559,[M+H-H2O]+,20.0,test,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O
559338,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O,197.14559,[M+H-H2O]+,20.0,test,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O
559339,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O,197.14559,[M+H-H2O]+,60.0,test,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O
559340,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O,197.14559,[M+H-H2O]+,30.0,test,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O
559341,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O,197.14559,[M+H-H2O]+,20.0,test,CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O
559342,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559343,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559344,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,60.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559345,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559346,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559347,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559348,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559349,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,60.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559350,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559351,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559352,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,60.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559353,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559354,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559355,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,342.08419,[M+Na]+,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559356,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,342.08419,[M+Na]+,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559357,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,342.08419,[M+Na]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559358,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,342.08419,[M+Na]+,60.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559359,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,342.08419,[M+Na]+,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559360,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559361,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559362,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,60.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559363,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559364,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559365,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,60.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559366,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559367,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,318.0877,[M-H]-,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559368,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559369,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559370,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,60.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559371,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559372,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559373,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,60.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559374,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,30.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559375,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,320.10225,[M+H]+,20.0,test,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
559376,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12,315.86143,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12
559377,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12,315.86143,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12
559378,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12,315.86143,[M-H]-,60.0,test,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12
559379,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12,315.86143,[M-H]-,30.0,test,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12
559380,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12,315.86143,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Br)c(Br)cc12
559381,O=C(O)c1cc(Br)nn1-c1c(Cl)cccn1,299.91809,[M-H]-,20.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559382,O=C(O)c1cc(Br)nn1-c1c(Cl)cccn1,299.91809,[M-H]-,20.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559383,O=C(O)c1cc(Br)nn1-c1c(Cl)cccn1,299.91809,[M-H]-,60.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559384,O=C(O)c1cc(Br)nn1-c1c(Cl)cccn1,299.91809,[M-H]-,15.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559385,O=C(O)c1cc(Br)nn1-c1c(Cl)cccn1,299.91809,[M-H]-,20.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559386,O=C(O)c1cc(Br)nn1-c1ncccc1Cl,299.91809,[M-H]-,20.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559387,O=C(O)c1cc(Br)nn1-c1ncccc1Cl,299.91809,[M-H]-,20.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559388,O=C(O)c1cc(Br)nn1-c1ncccc1Cl,299.91809,[M-H]-,60.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559389,O=C(O)c1cc(Br)nn1-c1ncccc1Cl,299.91809,[M-H]-,15.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559390,O=C(O)c1cc(Br)nn1-c1ncccc1Cl,299.91809,[M-H]-,20.0,test,O=C(O)c1cc(Br)nn1-c1ncccc1Cl
559391,O=C(O)c1c[nH]c2cc(Br)ccc12,237.95092,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Br)ccc12
559392,O=C(O)c1c[nH]c2cc(Br)ccc12,237.95092,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Br)ccc12
559393,O=C(O)c1c[nH]c2cc(Br)ccc12,237.95092,[M-H]-,60.0,test,O=C(O)c1c[nH]c2cc(Br)ccc12
559394,O=C(O)c1c[nH]c2cc(Br)ccc12,237.95092,[M-H]-,30.0,test,O=C(O)c1c[nH]c2cc(Br)ccc12
559395,O=C(O)c1c[nH]c2cc(Br)ccc12,237.95092,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Br)ccc12
559396,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,222.00758,[M-H]-,20.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559397,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,222.00758,[M-H]-,20.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559398,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,222.00758,[M-H]-,60.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559399,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,222.00758,[M-H]-,15.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559400,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,222.00758,[M-H]-,20.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559401,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,222.00758,[M-H]-,60.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559402,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,222.00758,[M-H]-,15.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559403,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,222.00758,[M-H]-,20.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559404,O=C(O)c1cnnn1-c1ccccc1Cl,222.00758,[M-H]-,20.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559405,O=C(O)c1cnnn1-c1ccccc1Cl,222.00758,[M-H]-,20.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559406,O=C(O)c1cnnn1-c1ccccc1Cl,222.00758,[M-H]-,60.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559407,O=C(O)c1cnnn1-c1ccccc1Cl,222.00758,[M-H]-,15.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559408,O=C(O)c1cnnn1-c1ccccc1Cl,222.00758,[M-H]-,20.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559409,O=C(O)c1cnnn1-c1ccccc1Cl,222.00758,[M-H]-,60.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559410,O=C(O)c1cnnn1-c1ccccc1Cl,222.00758,[M-H]-,15.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559411,O=C(O)c1cnnn1-c1ccccc1Cl,222.00758,[M-H]-,20.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559412,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,224.02213,[M+H]+,20.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559413,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,224.02213,[M+H]+,20.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559414,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,224.02213,[M+H]+,60.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559415,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,224.02213,[M+H]+,20.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559416,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,224.02213,[M+H]+,45.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559417,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,224.02213,[M+H]+,60.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559418,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,224.02213,[M+H]+,20.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559419,O=C(O)c1c(-n2cncn2)ccc(Cl)c1,224.02213,[M+H]+,45.0,test,O=C(O)c1cc(Cl)ccc1-n1cncn1
559420,O=C(O)c1cnnn1-c1ccccc1Cl,224.02213,[M+H]+,20.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559421,O=C(O)c1cnnn1-c1ccccc1Cl,224.02213,[M+H]+,20.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559422,O=C(O)c1cnnn1-c1ccccc1Cl,224.02213,[M+H]+,60.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559423,O=C(O)c1cnnn1-c1ccccc1Cl,224.02213,[M+H]+,20.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559424,O=C(O)c1cnnn1-c1ccccc1Cl,224.02213,[M+H]+,45.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559425,O=C(O)c1cnnn1-c1ccccc1Cl,224.02213,[M+H]+,60.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559426,O=C(O)c1cnnn1-c1ccccc1Cl,224.02213,[M+H]+,20.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559427,O=C(O)c1cnnn1-c1ccccc1Cl,224.02213,[M+H]+,45.0,test,O=C(O)c1cnnn1-c1ccccc1Cl
559428,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1,224.02213,[M+H]+,20.0,test,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1
559429,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1,224.02213,[M+H]+,20.0,test,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1
559430,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1,224.02213,[M+H]+,60.0,test,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1
559431,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1,224.02213,[M+H]+,30.0,test,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1
559432,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1,224.02213,[M+H]+,20.0,test,O=C(O)c1cn(-c2ccc(Cl)cc2)nn1
559433,O=C(O)c1cc2c(cc(Cl)cc2)[nH]1,194.00143,[M-H]-,20.0,test,O=C(O)c1cc2ccc(Cl)cc2[nH]1
559434,O=C(O)c1cc2c(cc(Cl)cc2)[nH]1,194.00143,[M-H]-,20.0,test,O=C(O)c1cc2ccc(Cl)cc2[nH]1
559435,O=C(O)c1cc2c(cc(Cl)cc2)[nH]1,194.00143,[M-H]-,60.0,test,O=C(O)c1cc2ccc(Cl)cc2[nH]1
559436,O=C(O)c1cc2c(cc(Cl)cc2)[nH]1,194.00143,[M-H]-,30.0,test,O=C(O)c1cc2ccc(Cl)cc2[nH]1
559437,O=C(O)c1cc2c(cc(Cl)cc2)[nH]1,194.00143,[M-H]-,20.0,test,O=C(O)c1cc2ccc(Cl)cc2[nH]1
559438,O=C(O)c1c[nH]c2c1ccc(Cl)c2,194.00143,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Cl)ccc12
559439,O=C(O)c1c[nH]c2c1ccc(Cl)c2,194.00143,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Cl)ccc12
559440,O=C(O)c1c[nH]c2c1ccc(Cl)c2,194.00143,[M-H]-,60.0,test,O=C(O)c1c[nH]c2cc(Cl)ccc12
559441,O=C(O)c1c[nH]c2c1ccc(Cl)c2,194.00143,[M-H]-,30.0,test,O=C(O)c1c[nH]c2cc(Cl)ccc12
559442,O=C(O)c1c[nH]c2c1ccc(Cl)c2,194.00143,[M-H]-,20.0,test,O=C(O)c1c[nH]c2cc(Cl)ccc12
559443,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,194.00143,[M-H]-,20.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559444,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,194.00143,[M-H]-,20.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559445,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,194.00143,[M-H]-,60.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559446,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,194.00143,[M-H]-,30.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559447,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,194.00143,[M-H]-,20.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559448,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,194.00143,[M-H]-,60.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559449,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,194.00143,[M-H]-,30.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559450,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,194.00143,[M-H]-,20.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559451,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,229.97811,[M+Cl]-,20.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559452,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,229.97811,[M+Cl]-,20.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559453,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,229.97811,[M+Cl]-,15.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559454,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,229.97811,[M+Cl]-,60.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559455,O=C(O)c1cc2c(ccc(Cl)c2)[nH]1,229.97811,[M+Cl]-,20.0,test,O=C(O)c1cc2cc(Cl)ccc2[nH]1
559456,O=C(O)c1c[nH]c2ccncc2c1=O,189.03057,[M-H]-,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559457,O=C(O)c1c[nH]c2ccncc2c1=O,189.03057,[M-H]-,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559458,O=C(O)c1c[nH]c2ccncc2c1=O,189.03057,[M-H]-,60.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559459,O=C(O)c1c[nH]c2ccncc2c1=O,189.03057,[M-H]-,30.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559460,O=C(O)c1c[nH]c2ccncc2c1=O,189.03057,[M-H]-,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559461,O=C(O)c1c[nH]c2ccncc2c1=O,189.03057,[M-H]-,60.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559462,O=C(O)c1c[nH]c2ccncc2c1=O,189.03057,[M-H]-,30.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559463,O=C(O)c1c[nH]c2ccncc2c1=O,189.03057,[M-H]-,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559464,O=C(O)c1n[nH]c(=O)c2ccccc12,189.03057,[M-H]-,20.0,test,O=C(O)c1n[nH]c(=O)c2ccccc12
559465,O=C(O)c1n[nH]c(=O)c2ccccc12,189.03057,[M-H]-,20.0,test,O=C(O)c1n[nH]c(=O)c2ccccc12
559466,O=C(O)c1n[nH]c(=O)c2ccccc12,189.03057,[M-H]-,60.0,test,O=C(O)c1n[nH]c(=O)c2ccccc12
559467,O=C(O)c1n[nH]c(=O)c2ccccc12,189.03057,[M-H]-,15.0,test,O=C(O)c1n[nH]c(=O)c2ccccc12
559468,O=C(O)c1n[nH]c(=O)c2ccccc12,189.03057,[M-H]-,20.0,test,O=C(O)c1n[nH]c(=O)c2ccccc12
559469,O=C(O)c1n[nH]c(=O)c2ccccc12,189.03057,[M-H]-,60.0,test,O=C(O)c1n[nH]c(=O)c2ccccc12
559470,O=C(O)c1n[nH]c(=O)c2ccccc12,189.03057,[M-H]-,15.0,test,O=C(O)c1n[nH]c(=O)c2ccccc12
559471,O=C(O)c1n[nH]c(=O)c2ccccc12,189.03057,[M-H]-,20.0,test,O=C(O)c1n[nH]c(=O)c2ccccc12
559472,O=C(O)c1ccc(-c2ncno2)cc1,189.03057,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ncno2)cc1
559473,O=C(O)c1ccc(-c2ncno2)cc1,189.03057,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ncno2)cc1
559474,O=C(O)c1ccc(-c2ncno2)cc1,189.03057,[M-H]-,60.0,test,O=C(O)c1ccc(-c2ncno2)cc1
559475,O=C(O)c1ccc(-c2ncno2)cc1,189.03057,[M-H]-,30.0,test,O=C(O)c1ccc(-c2ncno2)cc1
559476,O=C(O)c1ccc(-c2ncno2)cc1,189.03057,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ncno2)cc1
559477,O=C(O)c1ccc(-c2ncno2)cc1,189.03057,[M-H]-,60.0,test,O=C(O)c1ccc(-c2ncno2)cc1
559478,O=C(O)c1ccc(-c2ncno2)cc1,189.03057,[M-H]-,30.0,test,O=C(O)c1ccc(-c2ncno2)cc1
559479,O=C(O)c1ccc(-c2ncno2)cc1,189.03057,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ncno2)cc1
559480,O=C(O)c1c[nH]c2ccncc2c1=O,173.03456,[M+H-H2O]+,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559481,O=C(O)c1c[nH]c2ccncc2c1=O,173.03456,[M+H-H2O]+,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559482,O=C(O)c1c[nH]c2ccncc2c1=O,173.03456,[M+H-H2O]+,60.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559483,O=C(O)c1c[nH]c2ccncc2c1=O,173.03456,[M+H-H2O]+,30.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559484,O=C(O)c1c[nH]c2ccncc2c1=O,173.03456,[M+H-H2O]+,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559485,O=C(O)c1c[nH]c2ccncc2c1=O,191.04512,[M+H]+,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559486,O=C(O)c1c[nH]c2ccncc2c1=O,191.04512,[M+H]+,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559487,O=C(O)c1c[nH]c2ccncc2c1=O,191.04512,[M+H]+,30.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559488,O=C(O)c1c[nH]c2ccncc2c1=O,191.04512,[M+H]+,60.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559489,O=C(O)c1c[nH]c2ccncc2c1=O,191.04512,[M+H]+,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559490,O=C(O)c1c[nH]c2ccncc2c1=O,191.04512,[M+H]+,45.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559491,O=C(O)c1c[nH]c2ccncc2c1=O,191.04512,[M+H]+,60.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559492,O=C(O)c1c[nH]c2ccncc2c1=O,191.04512,[M+H]+,20.0,test,O=C(O)c1c[nH]c2ccncc2c1=O
559493,O=C(O)c1ccc2c(=O)[nH]ccc2n1,191.04512,[M+H]+,20.0,test,O=C(O)c1ccc2c(=O)[nH]ccc2n1
559494,O=C(O)c1ccc2c(=O)[nH]ccc2n1,191.04512,[M+H]+,20.0,test,O=C(O)c1ccc2c(=O)[nH]ccc2n1
559495,O=C(O)c1ccc2c(=O)[nH]ccc2n1,191.04512,[M+H]+,60.0,test,O=C(O)c1ccc2c(=O)[nH]ccc2n1
559496,O=C(O)c1ccc2c(=O)[nH]ccc2n1,191.04512,[M+H]+,30.0,test,O=C(O)c1ccc2c(=O)[nH]ccc2n1
559497,O=C(O)c1ccc2c(=O)[nH]ccc2n1,191.04512,[M+H]+,20.0,test,O=C(O)c1ccc2c(=O)[nH]ccc2n1
559498,O=C(O)c1ccc2c(=O)[nH]ccc2n1,191.04512,[M+H]+,60.0,test,O=C(O)c1ccc2c(=O)[nH]ccc2n1
559499,O=C(O)c1ccc2c(=O)[nH]ccc2n1,191.04512,[M+H]+,30.0,test,O=C(O)c1ccc2c(=O)[nH]ccc2n1
559500,O=C(O)c1ccc2c(=O)[nH]ccc2n1,191.04512,[M+H]+,20.0,test,O=C(O)c1ccc2c(=O)[nH]ccc2n1
559501,O=C(O)c1cnc2ccccn2c1=O,173.03456,[M+H-H2O]+,20.0,test,O=C(O)c1cnc2ccccn2c1=O
559502,O=C(O)c1cnc2ccccn2c1=O,173.03456,[M+H-H2O]+,20.0,test,O=C(O)c1cnc2ccccn2c1=O
559503,O=C(O)c1cnc2ccccn2c1=O,173.03456,[M+H-H2O]+,60.0,test,O=C(O)c1cnc2ccccn2c1=O
559504,O=C(O)c1cnc2ccccn2c1=O,173.03456,[M+H-H2O]+,30.0,test,O=C(O)c1cnc2ccccn2c1=O
559505,O=C(O)c1cnc2ccccn2c1=O,173.03456,[M+H-H2O]+,20.0,test,O=C(O)c1cnc2ccccn2c1=O
559506,O=C(O)c1cnc2ccccn2c1=O,191.04512,[M+H]+,20.0,test,O=C(O)c1cnc2ccccn2c1=O
559507,O=C(O)c1cnc2ccccn2c1=O,191.04512,[M+H]+,20.0,test,O=C(O)c1cnc2ccccn2c1=O
559508,O=C(O)c1cnc2ccccn2c1=O,191.04512,[M+H]+,60.0,test,O=C(O)c1cnc2ccccn2c1=O
559509,O=C(O)c1cnc2ccccn2c1=O,191.04512,[M+H]+,30.0,test,O=C(O)c1cnc2ccccn2c1=O
559510,O=C(O)c1cnc2ccccn2c1=O,191.04512,[M+H]+,20.0,test,O=C(O)c1cnc2ccccn2c1=O
559511,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559512,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559513,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,60.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559514,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559515,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,45.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559516,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,60.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559517,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559518,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,45.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559519,O=[N+]([O-])c1c2cccnc2c(O)cc1,189.03057,[M-H]-,45.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559520,O=[N+]([O-])c1c2cccnc2c(O)cc1,189.03057,[M-H]-,45.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559521,O=[N+]([O-])c1c2cccnc2c(O)cc1,189.03057,[M-H]-,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559522,O=[N+]([O-])c1c2cccnc2c(O)cc1,189.03057,[M-H]-,45.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559523,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559524,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559525,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,60.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559526,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,30.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559527,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559528,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,60.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559529,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,30.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559530,O=[N+]([O-])c1c2cccnc2c(O)cc1,191.04512,[M+H]+,20.0,test,O=[N+]([O-])c1ccc(O)c2ncccc12
559531,O=C(O)c1coc2cccc(O)c12,177.01933,[M-H]-,20.0,test,O=C(O)c1coc2cccc(O)c12
559532,O=C(O)c1coc2cccc(O)c12,177.01933,[M-H]-,20.0,test,O=C(O)c1coc2cccc(O)c12
559533,O=C(O)c1coc2cccc(O)c12,177.01933,[M-H]-,60.0,test,O=C(O)c1coc2cccc(O)c12
559534,O=C(O)c1coc2cccc(O)c12,177.01933,[M-H]-,30.0,test,O=C(O)c1coc2cccc(O)c12
559535,O=C(O)c1coc2cccc(O)c12,177.01933,[M-H]-,20.0,test,O=C(O)c1coc2cccc(O)c12
559536,O=C(O)c1coc2cccc(O)c12,177.01933,[M-H]-,60.0,test,O=C(O)c1coc2cccc(O)c12
559537,O=C(O)c1coc2cccc(O)c12,177.01933,[M-H]-,30.0,test,O=C(O)c1coc2cccc(O)c12
559538,O=C(O)c1coc2cccc(O)c12,177.01933,[M-H]-,20.0,test,O=C(O)c1coc2cccc(O)c12
559539,O=C(O)c1cc(O)c2ccoc2c1,177.01933,[M-H]-,20.0,test,O=C(O)c1cc(O)c2ccoc2c1
559540,O=C(O)c1cc(O)c2ccoc2c1,177.01933,[M-H]-,20.0,test,O=C(O)c1cc(O)c2ccoc2c1
559541,O=C(O)c1cc(O)c2ccoc2c1,177.01933,[M-H]-,30.0,test,O=C(O)c1cc(O)c2ccoc2c1
559542,O=C(O)c1cc(O)c2ccoc2c1,177.01933,[M-H]-,20.0,test,O=C(O)c1cc(O)c2ccoc2c1
559543,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2cc(O)c(O)cc2o1
559544,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2cc(O)c(O)cc2o1
559545,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,60.0,test,O=c1ccc2cc(O)c(O)cc2o1
559546,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2cc(O)c(O)cc2o1
559547,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,45.0,test,O=c1ccc2cc(O)c(O)cc2o1
559548,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2ccc(O)c(O)c2o1
559549,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2ccc(O)c(O)c2o1
559550,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,60.0,test,O=c1ccc2ccc(O)c(O)c2o1
559551,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2ccc(O)c(O)c2o1
559552,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,45.0,test,O=c1ccc2ccc(O)c(O)c2o1
559553,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2ccc(O)c(O)c2o1
559554,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2ccc(O)c(O)c2o1
559555,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,60.0,test,O=c1ccc2ccc(O)c(O)c2o1
559556,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2ccc(O)c(O)c2o1
559557,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,45.0,test,O=c1ccc2ccc(O)c(O)c2o1
559558,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,60.0,test,O=c1ccc2ccc(O)c(O)c2o1
559559,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2ccc(O)c(O)c2o1
559560,O=c1ccc2ccc(O)c(O)c2o1,177.01933,[M-H]-,45.0,test,O=c1ccc2ccc(O)c(O)c2o1
559561,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2cc(O)c(O)cc2o1
559562,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2cc(O)c(O)cc2o1
559563,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,60.0,test,O=c1ccc2cc(O)c(O)cc2o1
559564,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2cc(O)c(O)cc2o1
559565,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,45.0,test,O=c1ccc2cc(O)c(O)cc2o1
559566,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,60.0,test,O=c1ccc2cc(O)c(O)cc2o1
559567,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2cc(O)c(O)cc2o1
559568,O=c1ccc2cc(O)c(O)cc2o1,177.01933,[M-H]-,45.0,test,O=c1ccc2cc(O)c(O)cc2o1
559569,O=c1ccoc2cc(O)cc(O)c12,177.01933,[M-H]-,20.0,test,O=c1ccoc2cc(O)cc(O)c12
559570,O=c1ccoc2cc(O)cc(O)c12,177.01933,[M-H]-,20.0,test,O=c1ccoc2cc(O)cc(O)c12
559571,O=c1ccoc2cc(O)cc(O)c12,177.01933,[M-H]-,60.0,test,O=c1ccoc2cc(O)cc(O)c12
559572,O=c1ccoc2cc(O)cc(O)c12,177.01933,[M-H]-,20.0,test,O=c1ccoc2cc(O)cc(O)c12
559573,O=c1ccoc2cc(O)cc(O)c12,177.01933,[M-H]-,60.0,test,O=c1ccoc2cc(O)cc(O)c12
559574,O=c1ccc2c(O)cc(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2c(O)cc(O)cc2o1
559575,O=c1ccc2c(O)cc(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2c(O)cc(O)cc2o1
559576,O=c1ccc2c(O)cc(O)cc2o1,177.01933,[M-H]-,45.0,test,O=c1ccc2c(O)cc(O)cc2o1
559577,O=c1ccc2c(O)cc(O)cc2o1,177.01933,[M-H]-,60.0,test,O=c1ccc2c(O)cc(O)cc2o1
559578,O=c1ccc2c(O)cc(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2c(O)cc(O)cc2o1
559579,O=c1ccc2c(O)cc(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1ccc2c(O)cc(O)cc2o1
559580,O=c1ccc2c(O)cc(O)cc2o1,177.01933,[M-H]-,45.0,test,O=c1ccc2c(O)cc(O)cc2o1
559581,O=c1ccc2c(O)cc(O)cc2o1,177.01933,[M-H]-,60.0,test,O=c1ccc2c(O)cc(O)cc2o1
559582,O=c1cc(O)c2ccc(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1cc(O)c2ccc(O)cc2o1
559583,O=c1cc(O)c2ccc(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1cc(O)c2ccc(O)cc2o1
559584,O=c1cc(O)c2ccc(O)cc2o1,177.01933,[M-H]-,45.0,test,O=c1cc(O)c2ccc(O)cc2o1
559585,O=c1cc(O)c2ccc(O)cc2o1,177.01933,[M-H]-,60.0,test,O=c1cc(O)c2ccc(O)cc2o1
559586,O=c1cc(O)c2ccc(O)cc2o1,177.01933,[M-H]-,20.0,test,O=c1cc(O)c2ccc(O)cc2o1
559587,O=c1cc(O)c2ccc(O)cc2o1,179.03388,[M+H]+,45.0,test,O=c1cc(O)c2ccc(O)cc2o1
559588,O=c1cc(O)c2ccc(O)cc2o1,179.03388,[M+H]+,45.0,test,O=c1cc(O)c2ccc(O)cc2o1
559589,O=c1cc(O)c2ccc(O)cc2o1,179.03388,[M+H]+,45.0,test,O=c1cc(O)c2ccc(O)cc2o1
559590,O=c1cc(O)c2ccc(O)cc2o1,179.03388,[M+H]+,20.0,test,O=c1cc(O)c2ccc(O)cc2o1
559591,O=c1cc(O)c2ccc(O)cc2o1,179.03388,[M+H]+,60.0,test,O=c1cc(O)c2ccc(O)cc2o1
559592,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,471.73007,[M-H]-,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559593,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,471.73007,[M-H]-,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559594,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,471.73007,[M-H]-,60.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559595,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,471.73007,[M-H]-,45.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559596,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559597,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559598,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,60.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559599,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,30.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559600,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559601,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559602,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559603,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,60.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559604,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,30.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559605,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559606,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559607,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559608,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,60.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559609,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,30.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559610,CN(C)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br,473.74462,[M+H]+,20.0,test,CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
559611,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1,240.9844,[M-H]-,20.0,test,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1
559612,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1,240.9844,[M-H]-,20.0,test,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1
559613,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1,240.9844,[M-H]-,60.0,test,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1
559614,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1,240.9844,[M-H]-,15.0,test,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1
559615,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1,240.9844,[M-H]-,20.0,test,O=C(O)c1ccc(Cn2cc(Cl)cn2)s1
559616,O=C(O)C1Cc2c(ccc(Cl)c2)O1,197.0011,[M-H]-,20.0,test,O=C(O)C1Cc2cc(Cl)ccc2O1
559617,O=C(O)C1Cc2c(ccc(Cl)c2)O1,197.0011,[M-H]-,20.0,test,O=C(O)C1Cc2cc(Cl)ccc2O1
559618,O=C(O)C1Cc2c(ccc(Cl)c2)O1,197.0011,[M-H]-,60.0,test,O=C(O)C1Cc2cc(Cl)ccc2O1
559619,O=C(O)C1Cc2c(ccc(Cl)c2)O1,197.0011,[M-H]-,30.0,test,O=C(O)C1Cc2cc(Cl)ccc2O1
559620,O=C(O)C1Cc2c(ccc(Cl)c2)O1,197.0011,[M-H]-,20.0,test,O=C(O)C1Cc2cc(Cl)ccc2O1
559621,O=C(O)C1Cc2c(ccc(Cl)c2)O1,197.0011,[M-H]-,60.0,test,O=C(O)C1Cc2cc(Cl)ccc2O1
559622,O=C(O)C1Cc2c(ccc(Cl)c2)O1,197.0011,[M-H]-,30.0,test,O=C(O)C1Cc2cc(Cl)ccc2O1
559623,O=C(O)C1Cc2c(ccc(Cl)c2)O1,197.0011,[M-H]-,20.0,test,O=C(O)C1Cc2cc(Cl)ccc2O1
559624,O=C(O)C1COc2c1cc(Cl)cc2,197.0011,[M-H]-,20.0,test,O=C(O)C1COc2ccc(Cl)cc21
559625,O=C(O)C1COc2c1cc(Cl)cc2,197.0011,[M-H]-,20.0,test,O=C(O)C1COc2ccc(Cl)cc21
559626,O=C(O)C1COc2c1cc(Cl)cc2,197.0011,[M-H]-,60.0,test,O=C(O)C1COc2ccc(Cl)cc21
559627,O=C(O)C1COc2c1cc(Cl)cc2,197.0011,[M-H]-,15.0,test,O=C(O)C1COc2ccc(Cl)cc21
559628,O=C(O)C1COc2c1cc(Cl)cc2,197.0011,[M-H]-,20.0,test,O=C(O)C1COc2ccc(Cl)cc21
559629,CS(=O)(=O)c1ccc(C=O)c(C(F)(F)F)c1,297.005,[M+FA]-,60.0,test,CS(=O)(=O)c1ccc(C=O)c(C(F)(F)F)c1
559630,CS(=O)(=O)c1ccc(C=O)c(C(F)(F)F)c1,297.005,[M+FA]-,15.0,test,CS(=O)(=O)c1ccc(C=O)c(C(F)(F)F)c1
559631,CS(=O)(=O)c1ccc(C=O)c(C(F)(F)F)c1,297.005,[M+FA]-,20.0,test,CS(=O)(=O)c1ccc(C=O)c(C(F)(F)F)c1
559632,O=C(O)c1cnnn1-c1ccccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnnn1-c1ccccc1
559633,O=C(O)c1cnnn1-c1ccccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnnn1-c1ccccc1
559634,O=C(O)c1cnnn1-c1ccccc1,188.04655,[M-H]-,60.0,test,O=C(O)c1cnnn1-c1ccccc1
559635,O=C(O)c1cnnn1-c1ccccc1,188.04655,[M-H]-,15.0,test,O=C(O)c1cnnn1-c1ccccc1
559636,O=C(O)c1cnnn1-c1ccccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnnn1-c1ccccc1
559637,O=C(O)c1cc(-n2cncn2)ccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cccc(-n2cncn2)c1
559638,O=C(O)c1cc(-n2cncn2)ccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cccc(-n2cncn2)c1
559639,O=C(O)c1cc(-n2cncn2)ccc1,188.04655,[M-H]-,60.0,test,O=C(O)c1cccc(-n2cncn2)c1
559640,O=C(O)c1cc(-n2cncn2)ccc1,188.04655,[M-H]-,30.0,test,O=C(O)c1cccc(-n2cncn2)c1
559641,O=C(O)c1cc(-n2cncn2)ccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cccc(-n2cncn2)c1
559642,O=C(O)c1cc(-n2cccn2)ncc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559643,O=C(O)c1cc(-n2cccn2)ncc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559644,O=C(O)c1cc(-n2cccn2)ncc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559645,O=C(O)c1cc(-n2cccn2)ncc1,188.04655,[M-H]-,15.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559646,O=C(O)c1cc(-n2cccn2)ncc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559647,O=C(O)c1cc(-n2cccn2)ncc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559648,O=C(O)c1cc(-n2cccn2)ncc1,188.04655,[M-H]-,15.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559649,O=C(O)c1cc(-n2cccn2)ncc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559650,O=C(O)c1cnc(-n2cccn2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559651,O=C(O)c1cnc(-n2cccn2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559652,O=C(O)c1cnc(-n2cccn2)cc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559653,O=C(O)c1cnc(-n2cccn2)cc1,188.04655,[M-H]-,15.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559654,O=C(O)c1cnc(-n2cccn2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559655,O=C(O)c1cnc(-n2cccn2)cc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559656,O=C(O)c1cnc(-n2cccn2)cc1,188.04655,[M-H]-,15.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559657,O=C(O)c1cnc(-n2cccn2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559658,O=C(O)c1cc(-n2ccnn2)ccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559659,O=C(O)c1cc(-n2ccnn2)ccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559660,O=C(O)c1cc(-n2ccnn2)ccc1,188.04655,[M-H]-,60.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559661,O=C(O)c1cc(-n2ccnn2)ccc1,188.04655,[M-H]-,30.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559662,O=C(O)c1cc(-n2ccnn2)ccc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559663,O=C(O)c1ccc(-n2cnnc2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559664,O=C(O)c1ccc(-n2cnnc2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559665,O=C(O)c1ccc(-n2cnnc2)cc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559666,O=C(O)c1ccc(-n2cnnc2)cc1,188.04655,[M-H]-,30.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559667,O=C(O)c1ccc(-n2cnnc2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559668,O=C(O)c1ccc(-n2cnnc2)cc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559669,O=C(O)c1ccc(-n2cnnc2)cc1,188.04655,[M-H]-,30.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559670,O=C(O)c1ccc(-n2cnnc2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559671,O=C(O)c1ccc(-n2ccnn2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559672,O=C(O)c1ccc(-n2ccnn2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559673,O=C(O)c1ccc(-n2ccnn2)cc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559674,O=C(O)c1ccc(-n2ccnn2)cc1,188.04655,[M-H]-,30.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559675,O=C(O)c1ccc(-n2ccnn2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559676,O=C(O)c1cn(-c2ccncc2)nc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559677,O=C(O)c1cn(-c2ccncc2)nc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559678,O=C(O)c1cn(-c2ccncc2)nc1,188.04655,[M-H]-,60.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559679,O=C(O)c1cn(-c2ccncc2)nc1,188.04655,[M-H]-,15.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559680,O=C(O)c1cn(-c2ccncc2)nc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559681,O=C(O)c1ccccc1-n1ccnn1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccccc1-n1ccnn1
559682,O=C(O)c1ccccc1-n1ccnn1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccccc1-n1ccnn1
559683,O=C(O)c1ccccc1-n1ccnn1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccccc1-n1ccnn1
559684,O=C(O)c1ccccc1-n1ccnn1,188.04655,[M-H]-,15.0,test,O=C(O)c1ccccc1-n1ccnn1
559685,O=C(O)c1ccccc1-n1ccnn1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccccc1-n1ccnn1
559686,O=C(O)c1ccccc1-n1cncn1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccccc1-n1cncn1
559687,O=C(O)c1ccccc1-n1cncn1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccccc1-n1cncn1
559688,O=C(O)c1ccccc1-n1cncn1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccccc1-n1cncn1
559689,O=C(O)c1ccccc1-n1cncn1,188.04655,[M-H]-,15.0,test,O=C(O)c1ccccc1-n1cncn1
559690,O=C(O)c1ccccc1-n1cncn1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccccc1-n1cncn1
559691,O=C(O)c1ccc(-c2ncn[nH]2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559692,O=C(O)c1ccc(-c2ncn[nH]2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559693,O=C(O)c1ccc(-c2ncn[nH]2)cc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559694,O=C(O)c1ccc(-c2ncn[nH]2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559695,O=C(O)c1ccc(-c2ncn[nH]2)cc1,188.04655,[M-H]-,45.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559696,O=C(O)c1ccc(-c2ncn[nH]2)cc1,188.04655,[M-H]-,60.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559697,O=C(O)c1ccc(-c2ncn[nH]2)cc1,188.04655,[M-H]-,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559698,O=C(O)c1ccc(-c2ncn[nH]2)cc1,188.04655,[M-H]-,45.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559699,O=C(O)c1nn(-c2ccccc2)nc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559700,O=C(O)c1nn(-c2ccccc2)nc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559701,O=C(O)c1nn(-c2ccccc2)nc1,188.04655,[M-H]-,60.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559702,O=C(O)c1nn(-c2ccccc2)nc1,188.04655,[M-H]-,15.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559703,O=C(O)c1nn(-c2ccccc2)nc1,188.04655,[M-H]-,20.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559704,O=C(O)c1cnnn1-c1ccccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnnn1-c1ccccc1
559705,O=C(O)c1cnnn1-c1ccccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnnn1-c1ccccc1
559706,O=C(O)c1cnnn1-c1ccccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cnnn1-c1ccccc1
559707,O=C(O)c1cnnn1-c1ccccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnnn1-c1ccccc1
559708,O=C(O)c1cnnn1-c1ccccc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cnnn1-c1ccccc1
559709,O=C(O)c1cnnn1-c1ccccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cnnn1-c1ccccc1
559710,O=C(O)c1cnnn1-c1ccccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnnn1-c1ccccc1
559711,O=C(O)c1cnnn1-c1ccccc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cnnn1-c1ccccc1
559712,O=C(O)c1cn(-c2ccncc2)nc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559713,O=C(O)c1cn(-c2ccncc2)nc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559714,O=C(O)c1cn(-c2ccncc2)nc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559715,O=C(O)c1cn(-c2ccncc2)nc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559716,O=C(O)c1cn(-c2ccncc2)nc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cnn(-c2ccncc2)c1
559717,O=C(O)c1nn(-c2ccccc2)nc1,171.04272,[M-H2O]+,20.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559718,O=C(O)c1nn(-c2ccccc2)nc1,171.04272,[M-H2O]+,60.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559719,O=C(O)c1nn(-c2ccccc2)nc1,171.04272,[M-H2O]+,30.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559720,O=C(O)c1nn(-c2ccccc2)nc1,171.04272,[M-H2O]+,20.0,test,O=C(O)c1cnn(-c2ccccc2)n1
559721,O=C(O)c1ccc(-n2cncn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cncn2)cc1
559722,O=C(O)c1ccc(-n2cncn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cncn2)cc1
559723,O=C(O)c1ccc(-n2cncn2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2cncn2)cc1
559724,O=C(O)c1ccc(-n2cncn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cncn2)cc1
559725,O=C(O)c1ccc(-n2cncn2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2cncn2)cc1
559726,O=C(O)c1ccc(-n2cncn2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2cncn2)cc1
559727,O=C(O)c1ccc(-n2cncn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cncn2)cc1
559728,O=C(O)c1ccc(-n2cncn2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2cncn2)cc1
559729,O=C(O)c1ccc(-c2ncn[nH]2)cc1,189.05383,[M]+,30.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559730,O=C(O)c1ccc(-c2ncn[nH]2)cc1,189.05383,[M]+,30.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559731,O=C(O)c1ccc(-c2ncn[nH]2)cc1,189.05383,[M]+,60.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559732,O=C(O)c1ccc(-c2ncn[nH]2)cc1,189.05383,[M]+,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559733,O=C(O)c1ccc(-c2ncn[nH]2)cc1,189.05383,[M]+,30.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559734,O=C(O)c1ccc(-c2ncn[nH]2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559735,O=C(O)c1ccc(-c2ncn[nH]2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559736,O=C(O)c1ccc(-c2ncn[nH]2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559737,O=C(O)c1ccc(-c2ncn[nH]2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559738,O=C(O)c1ccc(-c2ncn[nH]2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559739,O=C(O)c1ccc(-c2ncn[nH]2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559740,O=C(O)c1ccc(-c2ncn[nH]2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559741,O=C(O)c1ccc(-c2ncn[nH]2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-c2ncn[nH]2)cc1
559742,O=C(O)c1ncc(-n2ccnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnc2)cn1
559743,O=C(O)c1ncc(-n2ccnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnc2)cn1
559744,O=C(O)c1ncc(-n2ccnc2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2ccnc2)cn1
559745,O=C(O)c1ncc(-n2ccnc2)cc1,190.0611,[M+H]+,30.0,test,O=C(O)c1ccc(-n2ccnc2)cn1
559746,O=C(O)c1ncc(-n2ccnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnc2)cn1
559747,O=C(O)c1ncc(-n2ccnc2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2ccnc2)cn1
559748,O=C(O)c1ncc(-n2ccnc2)cc1,190.0611,[M+H]+,30.0,test,O=C(O)c1ccc(-n2ccnc2)cn1
559749,O=C(O)c1ncc(-n2ccnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnc2)cn1
559750,O=C(O)c1ccc(-n2ccnn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559751,O=C(O)c1ccc(-n2ccnn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559752,O=C(O)c1ccc(-n2ccnn2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559753,O=C(O)c1ccc(-n2ccnn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559754,O=C(O)c1ccc(-n2ccnn2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559755,O=C(O)c1ccc(-n2ccnn2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559756,O=C(O)c1ccc(-n2ccnn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559757,O=C(O)c1ccc(-n2ccnn2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2ccnn2)cc1
559758,O=C(O)c1cn(-c2ccccn2)nc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnn(-c2ccccn2)c1
559759,O=C(O)c1cn(-c2ccccn2)nc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnn(-c2ccccn2)c1
559760,O=C(O)c1cn(-c2ccccn2)nc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cnn(-c2ccccn2)c1
559761,O=C(O)c1cn(-c2ccccn2)nc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnn(-c2ccccn2)c1
559762,O=C(O)c1cn(-c2ccccn2)nc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cnn(-c2ccccn2)c1
559763,O=C(O)c1cn(-c2ccccn2)nc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cnn(-c2ccccn2)c1
559764,O=C(O)c1cn(-c2ccccn2)nc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cnn(-c2ccccn2)c1
559765,O=C(O)c1cn(-c2ccccn2)nc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cnn(-c2ccccn2)c1
559766,O=C(O)c1cc(-n2cncn2)ccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccc(-n2cncn2)c1
559767,O=C(O)c1cc(-n2cncn2)ccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccc(-n2cncn2)c1
559768,O=C(O)c1cc(-n2cncn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2cncn2)c1
559769,O=C(O)c1cc(-n2cncn2)ccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccc(-n2cncn2)c1
559770,O=C(O)c1cc(-n2cncn2)ccc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cccc(-n2cncn2)c1
559771,O=C(O)c1cc(-n2cncn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2cncn2)c1
559772,O=C(O)c1cc(-n2cncn2)ccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccc(-n2cncn2)c1
559773,O=C(O)c1c(-n2ccnc2)nccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccnc1-n1ccnc1
559774,O=C(O)c1c(-n2ccnc2)nccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccnc1-n1ccnc1
559775,O=C(O)c1c(-n2ccnc2)nccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccnc1-n1ccnc1
559776,O=C(O)c1c(-n2ccnc2)nccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccnc1-n1ccnc1
559777,O=C(O)c1c(-n2ccnc2)nccc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cccnc1-n1ccnc1
559778,O=C(O)c1ccc(-n2cnnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559779,O=C(O)c1ccc(-n2cnnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559780,O=C(O)c1ccc(-n2cnnc2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559781,O=C(O)c1ccc(-n2cnnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559782,O=C(O)c1ccc(-n2cnnc2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559783,O=C(O)c1ccc(-n2cnnc2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559784,O=C(O)c1ccc(-n2cnnc2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2cnnc2)cc1
559785,O=C(O)c1nn(-c2ccncc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccn(-c2ccncc2)n1
559786,O=C(O)c1nn(-c2ccncc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccn(-c2ccncc2)n1
559787,O=C(O)c1nn(-c2ccncc2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccn(-c2ccncc2)n1
559788,O=C(O)c1nn(-c2ccncc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccn(-c2ccncc2)n1
559789,O=C(O)c1nn(-c2ccncc2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccn(-c2ccncc2)n1
559790,O=C(O)c1ccccc1-n1ccnn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccccc1-n1ccnn1
559791,O=C(O)c1ccccc1-n1ccnn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccccc1-n1ccnn1
559792,O=C(O)c1ccccc1-n1ccnn1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccccc1-n1ccnn1
559793,O=C(O)c1ccccc1-n1ccnn1,190.0611,[M+H]+,30.0,test,O=C(O)c1ccccc1-n1ccnn1
559794,O=C(O)c1ccccc1-n1ccnn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccccc1-n1ccnn1
559795,O=C(O)c1ccccc1-n1ccnn1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccccc1-n1ccnn1
559796,O=C(O)c1ccccc1-n1ccnn1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccccc1-n1ccnn1
559797,O=C(O)c1ccccc1-n1ccnn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccccc1-n1ccnn1
559798,O=C(O)c1cnc(-n2cccn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559799,O=C(O)c1cnc(-n2cccn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559800,O=C(O)c1cnc(-n2cccn2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559801,O=C(O)c1cnc(-n2cccn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559802,O=C(O)c1cnc(-n2cccn2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559803,O=C(O)c1cnc(-n2cccn2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559804,O=C(O)c1cnc(-n2cccn2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559805,O=C(O)c1cnc(-n2cccn2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2cccn2)nc1
559806,O=C(O)c1nn(-c2ccccc2)cn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ncn(-c2ccccc2)n1
559807,O=C(O)c1nn(-c2ccccc2)cn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ncn(-c2ccccc2)n1
559808,O=C(O)c1nn(-c2ccccc2)cn1,190.0611,[M+H]+,60.0,test,O=C(O)c1ncn(-c2ccccc2)n1
559809,O=C(O)c1nn(-c2ccccc2)cn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ncn(-c2ccccc2)n1
559810,O=C(O)c1nn(-c2ccccc2)cn1,190.0611,[M+H]+,60.0,test,O=C(O)c1ncn(-c2ccccc2)n1
559811,O=C(O)c1nn(-c2ccccc2)cn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ncn(-c2ccccc2)n1
559812,O=C(O)c1cc(-n2ccnn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559813,O=C(O)c1cc(-n2ccnn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559814,O=C(O)c1cc(-n2ccnn2)ccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559815,O=C(O)c1cc(-n2ccnn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559816,O=C(O)c1cc(-n2ccnn2)ccc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559817,O=C(O)c1cc(-n2ccnn2)ccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559818,O=C(O)c1cc(-n2ccnn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559819,O=C(O)c1cc(-n2ccnn2)ccc1,190.0611,[M+H]+,45.0,test,O=C(O)c1cccc(-n2ccnn2)c1
559820,O=C(O)c1cc(-n2cccn2)ncc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559821,O=C(O)c1cc(-n2cccn2)ncc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559822,O=C(O)c1cc(-n2cccn2)ncc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559823,O=C(O)c1cc(-n2cccn2)ncc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559824,O=C(O)c1cc(-n2cccn2)ncc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559825,O=C(O)c1cc(-n2cccn2)ncc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559826,O=C(O)c1cc(-n2cccn2)ncc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559827,O=C(O)c1cc(-n2cccn2)ncc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccnc(-n2cccn2)c1
559828,O=C(O)c1nccc(-n2ccnc2)c1,190.0611,[M+H]+,20.0,test,O=C(O)c1cc(-n2ccnc2)ccn1
559829,O=C(O)c1nccc(-n2ccnc2)c1,190.0611,[M+H]+,20.0,test,O=C(O)c1cc(-n2ccnc2)ccn1
559830,O=C(O)c1nccc(-n2ccnc2)c1,190.0611,[M+H]+,60.0,test,O=C(O)c1cc(-n2ccnc2)ccn1
559831,O=C(O)c1nccc(-n2ccnc2)c1,190.0611,[M+H]+,15.0,test,O=C(O)c1cc(-n2ccnc2)ccn1
559832,O=C(O)c1nccc(-n2ccnc2)c1,190.0611,[M+H]+,20.0,test,O=C(O)c1cc(-n2ccnc2)ccn1
559833,O=C(O)c1nccc(-n2ccnc2)c1,190.0611,[M+H]+,60.0,test,O=C(O)c1cc(-n2ccnc2)ccn1
559834,O=C(O)c1nccc(-n2ccnc2)c1,190.0611,[M+H]+,15.0,test,O=C(O)c1cc(-n2ccnc2)ccn1
559835,O=C(O)c1nccc(-n2ccnc2)c1,190.0611,[M+H]+,20.0,test,O=C(O)c1cc(-n2ccnc2)ccn1
559836,O=C(O)c1nc(-n2cccn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2cccn2)n1
559837,O=C(O)c1nc(-n2cccn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2cccn2)n1
559838,O=C(O)c1nc(-n2cccn2)ccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccc(-n2cccn2)n1
559839,O=C(O)c1nc(-n2cccn2)ccc1,190.0611,[M+H]+,30.0,test,O=C(O)c1cccc(-n2cccn2)n1
559840,O=C(O)c1nc(-n2cccn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2cccn2)n1
559841,O=C(O)c1nc(-n2cccn2)ccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccc(-n2cccn2)n1
559842,O=C(O)c1nc(-n2cccn2)ccc1,190.0611,[M+H]+,30.0,test,O=C(O)c1cccc(-n2cccn2)n1
559843,O=C(O)c1nc(-n2cccn2)ccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccc(-n2cccn2)n1
559844,O=C(O)c1nc(-n2cccn2)ccc1,212.04304,[M+Na]+,20.0,test,O=C(O)c1cccc(-n2cccn2)n1
559845,O=C(O)c1nc(-n2cccn2)ccc1,212.04304,[M+Na]+,20.0,test,O=C(O)c1cccc(-n2cccn2)n1
559846,O=C(O)c1c(-n2cccn2)nccc1,172.05054,[M+H-H2O]+,20.0,test,O=C(O)c1cccnc1-n1cccn1
559847,O=C(O)c1c(-n2cccn2)nccc1,172.05054,[M+H-H2O]+,20.0,test,O=C(O)c1cccnc1-n1cccn1
559848,O=C(O)c1c(-n2cccn2)nccc1,172.05054,[M+H-H2O]+,60.0,test,O=C(O)c1cccnc1-n1cccn1
559849,O=C(O)c1c(-n2cccn2)nccc1,172.05054,[M+H-H2O]+,20.0,test,O=C(O)c1cccnc1-n1cccn1
559850,O=C(O)c1c(-n2cccn2)nccc1,172.05054,[M+H-H2O]+,45.0,test,O=C(O)c1cccnc1-n1cccn1
559851,O=C(O)c1c(-n2cccn2)nccc1,172.05054,[M+H-H2O]+,60.0,test,O=C(O)c1cccnc1-n1cccn1
559852,O=C(O)c1c(-n2cccn2)nccc1,172.05054,[M+H-H2O]+,20.0,test,O=C(O)c1cccnc1-n1cccn1
559853,O=C(O)c1c(-n2cccn2)nccc1,172.05054,[M+H-H2O]+,45.0,test,O=C(O)c1cccnc1-n1cccn1
559854,O=C(O)c1c(-n2cccn2)nccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccnc1-n1cccn1
559855,O=C(O)c1c(-n2cccn2)nccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccnc1-n1cccn1
559856,O=C(O)c1c(-n2cccn2)nccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccnc1-n1cccn1
559857,O=C(O)c1c(-n2cccn2)nccc1,190.0611,[M+H]+,30.0,test,O=C(O)c1cccnc1-n1cccn1
559858,O=C(O)c1c(-n2cccn2)nccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccnc1-n1cccn1
559859,O=C(O)c1c(-n2cccn2)nccc1,190.0611,[M+H]+,60.0,test,O=C(O)c1cccnc1-n1cccn1
559860,O=C(O)c1c(-n2cccn2)nccc1,190.0611,[M+H]+,30.0,test,O=C(O)c1cccnc1-n1cccn1
559861,O=C(O)c1c(-n2cccn2)nccc1,190.0611,[M+H]+,20.0,test,O=C(O)c1cccnc1-n1cccn1
559862,O=C(O)c1ccccc1-n1cncn1,172.05054,[M+H-H2O]+,20.0,test,O=C(O)c1ccccc1-n1cncn1
559863,O=C(O)c1ccccc1-n1cncn1,172.05054,[M+H-H2O]+,20.0,test,O=C(O)c1ccccc1-n1cncn1
559864,O=C(O)c1ccccc1-n1cncn1,172.05054,[M+H-H2O]+,60.0,test,O=C(O)c1ccccc1-n1cncn1
559865,O=C(O)c1ccccc1-n1cncn1,172.05054,[M+H-H2O]+,20.0,test,O=C(O)c1ccccc1-n1cncn1
559866,O=C(O)c1ccccc1-n1cncn1,172.05054,[M+H-H2O]+,45.0,test,O=C(O)c1ccccc1-n1cncn1
559867,O=C(O)c1ccccc1-n1cncn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccccc1-n1cncn1
559868,O=C(O)c1ccccc1-n1cncn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccccc1-n1cncn1
559869,O=C(O)c1ccccc1-n1cncn1,190.0611,[M+H]+,30.0,test,O=C(O)c1ccccc1-n1cncn1
559870,O=C(O)c1ccccc1-n1cncn1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccccc1-n1cncn1
559871,O=C(O)c1ccccc1-n1cncn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccccc1-n1cncn1
559872,O=C(O)c1ccccc1-n1cncn1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccccc1-n1cncn1
559873,O=C(O)c1ccccc1-n1cncn1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccccc1-n1cncn1
559874,O=C(O)c1ccccc1-n1cncn1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccccc1-n1cncn1
559875,O=C(O)c1nccc(-n2cccn2)c1,190.0611,[M+H]+,30.0,test,O=C(O)c1cc(-n2cccn2)ccn1
559876,O=C(O)c1nccc(-n2cccn2)c1,190.0611,[M+H]+,30.0,test,O=C(O)c1cc(-n2cccn2)ccn1
559877,O=C(O)c1nccc(-n2cccn2)c1,190.0611,[M+H]+,20.0,test,O=C(O)c1cc(-n2cccn2)ccn1
559878,O=C(O)c1nccc(-n2cccn2)c1,190.0611,[M+H]+,60.0,test,O=C(O)c1cc(-n2cccn2)ccn1
559879,O=C(O)c1nccc(-n2cccn2)c1,190.0611,[M+H]+,30.0,test,O=C(O)c1cc(-n2cccn2)ccn1
559880,O=C(O)c1nccc(-n2cccn2)c1,190.0611,[M+H]+,20.0,test,O=C(O)c1cc(-n2cccn2)ccn1
559881,O=C(O)c1nccc(-n2cccn2)c1,190.0611,[M+H]+,60.0,test,O=C(O)c1cc(-n2cccn2)ccn1
559882,O=C(O)c1nccc(-n2cccn2)c1,190.0611,[M+H]+,30.0,test,O=C(O)c1cc(-n2cccn2)ccn1
559883,O=C(O)c1cn(-c2ccccc2)nn1,190.0611,[M+H]+,20.0,test,O=C(O)c1cn(-c2ccccc2)nn1
559884,O=C(O)c1cn(-c2ccccc2)nn1,190.0611,[M+H]+,20.0,test,O=C(O)c1cn(-c2ccccc2)nn1
559885,O=C(O)c1cn(-c2ccccc2)nn1,190.0611,[M+H]+,60.0,test,O=C(O)c1cn(-c2ccccc2)nn1
559886,O=C(O)c1cn(-c2ccccc2)nn1,190.0611,[M+H]+,30.0,test,O=C(O)c1cn(-c2ccccc2)nn1
559887,O=C(O)c1cn(-c2ccccc2)nn1,190.0611,[M+H]+,20.0,test,O=C(O)c1cn(-c2ccccc2)nn1
559888,O=C(O)c1cn(-c2ccccc2)nn1,190.0611,[M+H]+,60.0,test,O=C(O)c1cn(-c2ccccc2)nn1
559889,O=C(O)c1cn(-c2ccccc2)nn1,190.0611,[M+H]+,30.0,test,O=C(O)c1cn(-c2ccccc2)nn1
559890,O=C(O)c1cn(-c2ccccc2)nn1,190.0611,[M+H]+,20.0,test,O=C(O)c1cn(-c2ccccc2)nn1
559891,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559892,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559893,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559894,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,30.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559895,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559896,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559897,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,60.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559898,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,20.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559899,O=C(O)c1cnc(-n2ccnc2)cc1,190.0611,[M+H]+,45.0,test,O=C(O)c1ccc(-n2ccnc2)nc1
559900,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,218.04344,[M-H]-,20.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559901,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,218.04344,[M-H]-,20.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559902,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,218.04344,[M-H]-,30.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559903,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,218.04344,[M-H]-,20.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559904,O=C(O)CNc1ccccc1C(F)(F)F,218.04344,[M-H]-,20.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559905,O=C(O)CNc1ccccc1C(F)(F)F,218.04344,[M-H]-,20.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559906,O=C(O)CNc1ccccc1C(F)(F)F,218.04344,[M-H]-,60.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559907,O=C(O)CNc1ccccc1C(F)(F)F,218.04344,[M-H]-,30.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559908,O=C(O)CNc1ccccc1C(F)(F)F,218.04344,[M-H]-,20.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559909,O=C(O)CNc1ccccc1C(F)(F)F,218.04344,[M-H]-,60.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559910,O=C(O)CNc1ccccc1C(F)(F)F,218.04344,[M-H]-,30.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559911,O=C(O)CNc1ccccc1C(F)(F)F,218.04344,[M-H]-,20.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559912,O=C(O)CNc1cccc(C(F)(F)F)c1,218.04344,[M-H]-,20.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559913,O=C(O)CNc1cccc(C(F)(F)F)c1,218.04344,[M-H]-,20.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559914,O=C(O)CNc1cccc(C(F)(F)F)c1,218.04344,[M-H]-,60.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559915,O=C(O)CNc1cccc(C(F)(F)F)c1,218.04344,[M-H]-,30.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559916,O=C(O)CNc1cccc(C(F)(F)F)c1,218.04344,[M-H]-,20.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559917,O=C(O)CNc1cccc(C(F)(F)F)c1,218.04344,[M-H]-,60.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559918,O=C(O)CNc1cccc(C(F)(F)F)c1,218.04344,[M-H]-,30.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559919,O=C(O)CNc1cccc(C(F)(F)F)c1,218.04344,[M-H]-,20.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559920,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,220.05799,[M+H]+,20.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559921,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,220.05799,[M+H]+,20.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559922,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,220.05799,[M+H]+,60.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559923,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,220.05799,[M+H]+,15.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559924,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,220.05799,[M+H]+,20.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559925,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,220.05799,[M+H]+,60.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559926,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,220.05799,[M+H]+,15.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559927,NC(C(=O)O)c1ccc(C(F)(F)F)cc1,220.05799,[M+H]+,20.0,test,NC(C(=O)O)c1ccc(C(F)(F)F)cc1
559928,O=C(O)CNc1cccc(C(F)(F)F)c1,220.05799,[M+H]+,20.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559929,O=C(O)CNc1cccc(C(F)(F)F)c1,220.05799,[M+H]+,20.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559930,O=C(O)CNc1cccc(C(F)(F)F)c1,220.05799,[M+H]+,60.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559931,O=C(O)CNc1cccc(C(F)(F)F)c1,220.05799,[M+H]+,30.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559932,O=C(O)CNc1cccc(C(F)(F)F)c1,220.05799,[M+H]+,20.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559933,O=C(O)CNc1cccc(C(F)(F)F)c1,220.05799,[M+H]+,60.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559934,O=C(O)CNc1cccc(C(F)(F)F)c1,220.05799,[M+H]+,30.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559935,O=C(O)CNc1cccc(C(F)(F)F)c1,220.05799,[M+H]+,20.0,test,O=C(O)CNc1cccc(C(F)(F)F)c1
559936,O=C(O)CNc1ccccc1C(F)(F)F,220.05799,[M+H]+,20.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559937,O=C(O)CNc1ccccc1C(F)(F)F,220.05799,[M+H]+,20.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559938,O=C(O)CNc1ccccc1C(F)(F)F,220.05799,[M+H]+,60.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559939,O=C(O)CNc1ccccc1C(F)(F)F,220.05799,[M+H]+,30.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559940,O=C(O)CNc1ccccc1C(F)(F)F,220.05799,[M+H]+,20.0,test,O=C(O)CNc1ccccc1C(F)(F)F
559941,CC(=O)Nc1c(C(=O)O)c(F)ccc1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cccc(F)c1C(=O)O
559942,CC(=O)Nc1c(C(=O)O)c(F)ccc1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cccc(F)c1C(=O)O
559943,CC(=O)Nc1c(C(=O)O)c(F)ccc1,196.04155,[M-H]-,60.0,test,CC(=O)Nc1cccc(F)c1C(=O)O
559944,CC(=O)Nc1c(C(=O)O)c(F)ccc1,196.04155,[M-H]-,30.0,test,CC(=O)Nc1cccc(F)c1C(=O)O
559945,CC(=O)Nc1c(C(=O)O)c(F)ccc1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cccc(F)c1C(=O)O
559946,O=C(O)CNC(=O)c1ccccc1F,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccccc1F
559947,O=C(O)CNC(=O)c1ccccc1F,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccccc1F
559948,O=C(O)CNC(=O)c1ccccc1F,196.04155,[M-H]-,60.0,test,O=C(O)CNC(=O)c1ccccc1F
559949,O=C(O)CNC(=O)c1ccccc1F,196.04155,[M-H]-,30.0,test,O=C(O)CNC(=O)c1ccccc1F
559950,O=C(O)CNC(=O)c1ccccc1F,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccccc1F
559951,CC(=O)Nc1c(C(=O)O)ccc(F)c1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cc(F)ccc1C(=O)O
559952,CC(=O)Nc1c(C(=O)O)ccc(F)c1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cc(F)ccc1C(=O)O
559953,CC(=O)Nc1c(C(=O)O)ccc(F)c1,196.04155,[M-H]-,60.0,test,CC(=O)Nc1cc(F)ccc1C(=O)O
559954,CC(=O)Nc1c(C(=O)O)ccc(F)c1,196.04155,[M-H]-,30.0,test,CC(=O)Nc1cc(F)ccc1C(=O)O
559955,CC(=O)Nc1c(C(=O)O)ccc(F)c1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cc(F)ccc1C(=O)O
559956,CC(=O)Nc1c(C(=O)O)ccc(F)c1,196.04155,[M-H]-,60.0,test,CC(=O)Nc1cc(F)ccc1C(=O)O
559957,CC(=O)Nc1c(C(=O)O)ccc(F)c1,196.04155,[M-H]-,30.0,test,CC(=O)Nc1cc(F)ccc1C(=O)O
559958,CC(=O)Nc1c(C(=O)O)ccc(F)c1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cc(F)ccc1C(=O)O
559959,O=C(O)CNC(=O)c1cc(F)ccc1,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1cccc(F)c1
559960,O=C(O)CNC(=O)c1cc(F)ccc1,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1cccc(F)c1
559961,O=C(O)CNC(=O)c1cc(F)ccc1,196.04155,[M-H]-,60.0,test,O=C(O)CNC(=O)c1cccc(F)c1
559962,O=C(O)CNC(=O)c1cc(F)ccc1,196.04155,[M-H]-,30.0,test,O=C(O)CNC(=O)c1cccc(F)c1
559963,O=C(O)CNC(=O)c1cc(F)ccc1,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1cccc(F)c1
559964,O=C(O)CNC(=O)c1ccc(F)cc1,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccc(F)cc1
559965,O=C(O)CNC(=O)c1ccc(F)cc1,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccc(F)cc1
559966,O=C(O)CNC(=O)c1ccc(F)cc1,196.04155,[M-H]-,60.0,test,O=C(O)CNC(=O)c1ccc(F)cc1
559967,O=C(O)CNC(=O)c1ccc(F)cc1,196.04155,[M-H]-,30.0,test,O=C(O)CNC(=O)c1ccc(F)cc1
559968,O=C(O)CNC(=O)c1ccc(F)cc1,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccc(F)cc1
559969,O=C(O)CNC(=O)c1ccc(F)cc1,196.04155,[M-H]-,60.0,test,O=C(O)CNC(=O)c1ccc(F)cc1
559970,O=C(O)CNC(=O)c1ccc(F)cc1,196.04155,[M-H]-,30.0,test,O=C(O)CNC(=O)c1ccc(F)cc1
559971,O=C(O)CNC(=O)c1ccc(F)cc1,196.04155,[M-H]-,20.0,test,O=C(O)CNC(=O)c1ccc(F)cc1
559972,CC(=O)Nc1cc(C(=O)O)c(F)cc1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559973,CC(=O)Nc1cc(C(=O)O)c(F)cc1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559974,CC(=O)Nc1cc(C(=O)O)c(F)cc1,196.04155,[M-H]-,60.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559975,CC(=O)Nc1cc(C(=O)O)c(F)cc1,196.04155,[M-H]-,15.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559976,CC(=O)Nc1cc(C(=O)O)c(F)cc1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559977,CC(=O)Nc1c(F)ccc(C(=O)O)c1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cc(C(=O)O)ccc1F
559978,CC(=O)Nc1c(F)ccc(C(=O)O)c1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cc(C(=O)O)ccc1F
559979,CC(=O)Nc1c(F)ccc(C(=O)O)c1,196.04155,[M-H]-,60.0,test,CC(=O)Nc1cc(C(=O)O)ccc1F
559980,CC(=O)Nc1c(F)ccc(C(=O)O)c1,196.04155,[M-H]-,30.0,test,CC(=O)Nc1cc(C(=O)O)ccc1F
559981,CC(=O)Nc1c(F)ccc(C(=O)O)c1,196.04155,[M-H]-,20.0,test,CC(=O)Nc1cc(C(=O)O)ccc1F
559982,O=C(O)CNC(=O)c1ccccc1F,198.0561,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccccc1F
559983,O=C(O)CNC(=O)c1ccccc1F,198.0561,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccccc1F
559984,O=C(O)CNC(=O)c1ccccc1F,198.0561,[M+H]+,60.0,test,O=C(O)CNC(=O)c1ccccc1F
559985,O=C(O)CNC(=O)c1ccccc1F,198.0561,[M+H]+,15.0,test,O=C(O)CNC(=O)c1ccccc1F
559986,O=C(O)CNC(=O)c1ccccc1F,198.0561,[M+H]+,20.0,test,O=C(O)CNC(=O)c1ccccc1F
559987,CC(=O)Nc1cc(C(=O)O)c(F)cc1,198.0561,[M+H]+,20.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559988,CC(=O)Nc1cc(C(=O)O)c(F)cc1,198.0561,[M+H]+,20.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559989,CC(=O)Nc1cc(C(=O)O)c(F)cc1,198.0561,[M+H]+,60.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559990,CC(=O)Nc1cc(C(=O)O)c(F)cc1,198.0561,[M+H]+,30.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559991,CC(=O)Nc1cc(C(=O)O)c(F)cc1,198.0561,[M+H]+,20.0,test,CC(=O)Nc1ccc(F)c(C(=O)O)c1
559992,Ic1ccc(CSc2ncn[nH]2)cc1,315.94109,[M-H]-,20.0,test,Ic1ccc(CSc2ncn[nH]2)cc1
559993,Ic1ccc(CSc2ncn[nH]2)cc1,315.94109,[M-H]-,20.0,test,Ic1ccc(CSc2ncn[nH]2)cc1
559994,Ic1ccc(CSc2ncn[nH]2)cc1,315.94109,[M-H]-,60.0,test,Ic1ccc(CSc2ncn[nH]2)cc1
559995,Ic1ccc(CSc2ncn[nH]2)cc1,315.94109,[M-H]-,30.0,test,Ic1ccc(CSc2ncn[nH]2)cc1
559996,Ic1ccc(CSc2ncn[nH]2)cc1,315.94109,[M-H]-,20.0,test,Ic1ccc(CSc2ncn[nH]2)cc1
559997,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,239.0132,[M-H]-,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
559998,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,239.0132,[M-H]-,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
559999,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,239.0132,[M-H]-,60.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560000,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,239.0132,[M-H]-,15.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560001,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,239.0132,[M-H]-,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560002,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,223.01719,[M+H-H2O]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560003,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,223.01719,[M+H-H2O]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560004,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,223.01719,[M+H-H2O]+,60.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560005,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,223.01719,[M+H-H2O]+,30.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560006,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,223.01719,[M+H-H2O]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560007,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,241.02775,[M+H]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560008,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,241.02775,[M+H]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560009,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,241.02775,[M+H]+,30.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560010,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,241.02775,[M+H]+,60.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560011,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,241.02775,[M+H]+,15.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560012,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,241.02775,[M+H]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560013,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,241.02775,[M+H]+,60.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560014,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,241.02775,[M+H]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560015,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,263.0097,[M+Na]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560016,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,263.0097,[M+Na]+,60.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560017,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,263.0097,[M+Na]+,30.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560018,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12,263.0097,[M+Na]+,20.0,test,CS(=O)(=O)c1nc(C(=O)O)c2ccccn12
560019,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560020,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560021,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560022,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560023,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560024,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560025,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560026,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560027,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560028,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560029,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,60.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560030,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,30.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560031,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,431.85991,[M-H]-,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560032,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560033,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560034,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560035,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560036,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560037,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560038,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560039,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560040,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560041,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560042,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560043,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560044,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560045,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,60.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560046,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,30.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560047,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,433.87446,[M+H]+,20.0,test,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
560048,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560049,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560050,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,60.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560051,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560052,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560053,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560054,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560055,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560056,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560057,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560058,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560059,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560060,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,60.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560061,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560062,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560063,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560064,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560065,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,60.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560066,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560067,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,254.00634,[M-H]-,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560068,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560069,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560070,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560071,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560072,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560073,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560074,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560075,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560076,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560077,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560078,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560079,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560080,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560081,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,60.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560082,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,30.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
560083,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,256.02089,[M+H]+,20.0,test,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1