ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL4944519 | Cc1noc(C)c1Cc1nc([C@H]2CN3CCCCC3CO2)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][#C][C@H1][C][N][C][C][C][C][C][Ring1][=Branch1][C][O][Ring1][#Branch2][=N][O][Ring1][#C] | C16CN2CCCCC2CO1.Cc1noc(C)c15.c14nc6no1.C45 |
CHEMBL4944520 | CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2)c(NC(=O)c2cccc(Cl)c2)c1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][#C] | c19ccc%10c%11c1.c1%12cccc(Cl)c1.c14cccc(Cl)c1.C5(=O)C8C.C3%12=O.C64=O.CC7.O79.N5%10.O38.N6%11 |
CHEMBL4944521 | CCn1ncc(C(=O)N2CCCC[C@H]2c2nccn2CC)n1 | [C][C][N][N][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][Ring2] | N13CCCCC17.n15ncc4n1.c17nccn16.C34=O.CC5.C6C |
CHEMBL1367142 | CCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2nc1O | [C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][O] | c17cc2cc(C)ccc2nc1O.c16ccccc1.CCC3=O.N345.C4C6.C57 |
CHEMBL1367143 | CC(Nc1[nH]cnc2ncnc1-2)c1ccccc1 | [C][C][Branch1][#C][N][C][NH1][C][=N][C][=N][C][=N][C][=Ring1][=Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14[nH]cnc2ncnc1-2.c15ccccc1.CC35.N34 |
CHEMBL1367145 | Cc1cccn2c(=O)nc(SCC(=O)NCc3ccccc3Cl)nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] | Cc1cccn2c(=O)nc8nc12.c17ccccc1Cl.C6C4=O.S68.N45.C57 |
CHEMBL1367146 | COc1cccc(C2NC(c3ccccc3C)=NO2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][Ring1][N][=C][Ring2][Ring1][C][O][C] | C16NC(c2ccccc2C)=NO1.c14cccc6c15.CO4.O5C |
CHEMBL1369161 | CCC(CC)c1nn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4C)cc3)nc2s1 | [C][C][C][Branch1][Ring1][C][C][C][=N][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][O][C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][N][=C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][N] | c1%10nn2c(=O)cc%11nc2s1.c17ccc8cc1.c19ccccc1C.CCC%10CC.C59=O.C6%11.O67.N58 |
CHEMBL1369162 | CC1=C(C(=O)OC2CCCCC2)C(c2ccccc2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.C14CCCCC1.c15ccccc1.O34 |
CHEMBL4944584 | CC(C)(C)OC(=O)N1CC2CC1C2NC(=O)C1CC=CCC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1] | N14CC2CC1C27.C18CC=CCC1.CC6(C)C.C34=O.C58=O.O36.N57 |
CHEMBL1369290 | Cn1cc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 | [C][N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring1] | C127CC3CC(CC(C3)C1)C2.Cn1cc8cn1.C57=O.C68.N56 |
CHEMBL1369291 | Cc1ccc2nc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)sc2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][C][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] | Cc1ccc2nc7sc2c1.N16CCC2(CC1)OCCO2.N17CCC8CC1.C68=O |
CHEMBL1369292 | COc1ccc(C(=O)/C=C/N(C)C)cc1 | [C][O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][/C][=C][/N][Branch1][C][C][C][C][=C][Ring1][=N] | c12ccc3cc1.C3(=O)C=CN(C)C.CO2 |
CHEMBL1369293 | O=C(Nc1ccon1)c1cnc2sccn2c1=O | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][C][=C][N][=C][S][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][=O] | c15cnc2sccn2c1=O.c14ccon1.O=C35.N34 |
CHEMBL4944622 | CN(Cc1cscn1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O | [C][N][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][C][Ring1][#Branch2][=O] | c15cc7c[nH]c1=O.c16cscn1.C7(F)(F)F.CN24.C23=O.C46.N35 |
CHEMBL1370862 | CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc2c(c1)OCO2 | [C][C][N][Branch2][Ring1][=Branch1][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][O][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c18cccc(C)c1.c17nc8no1.N345.C36=O.CC4.C57 |
CHEMBL1370864 | Cc1ccccc1N1C(=O)CC(C(C)(C)C)CC1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][O][=O] | N13C(=O)CC2CC1=O.Cc1ccccc13.C2(C)(C)C |
CHEMBL1370865 | CSc1nsc(SCC(=O)N2CCCCC2)n1 | [C][S][C][=N][S][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][#C] | c15nsc6n1.N13CCCCC1.C4C3=O.CS5.S46 |
CHEMBL4944650 | Cc1cccc(NC(=O)c2cc(N3CCCC3)ncn2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=N][Ring1][O][=C][Ring2][Ring1][Ring2][C] | Cc1cccc6c1C.c17cc5ncn1.N15CCCC1.C47=O.N46 |
CHEMBL1370866 | O=C(NCc1ccccc1Cl)c1cnn2cccnc12 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1] | c15cnn2cccnc12.c16ccccc1Cl.O=C35.N34.C46 |
CHEMBL1372157 | CCCN1CN(Cc2ccccc2)CN=C1S | [C][C][C][N][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][S] | N13CN4CN=C1S.c15ccccc1.CCC3.C45 |
CHEMBL1372158 | CCCSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1 | [C][C][C][S][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][S][Ring2][Ring1][Ring1] | c17coc2cc(C)ccc12.c18nnc6s1.C4(=O)C7.CCC5.S58.N46 |
CHEMBL4944698 | Cc1ccccc1CN1C(=O)NC(C2CC2)(C2CC2)C1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][N][=O] | N13C(=O)NC56C1=O.Cc1ccccc14.C15CC1.C16CC1.C34 |
CHEMBL4944699 | O=C(Nc1ccccc1F)N1CCC(OC[C@H]2CCCO2)CC1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][Branch1][#Branch2][O][C][C@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N] | c17ccccc1F.N14CCC6CC1.C18CCCO1.O=C34.N37.O56.C58 |
CHEMBL1365181 | C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CC(=O)Nc2ccccc21 | [C][=C][C][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N13CC(=O)Nc2ccccc21.n17c8nnc19.c15ccc(Cl)cc1.C6C3=O.C=CC7.C48.O45.S69 |
CHEMBL1365182 | O=C(CNC(=O)c1ccc(Br)o1)OCc1ccc(Br)cc1 | [O][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c17ccc(Br)cc1.c16ccc(Br)o1.O=C2C5.C36=O.N35.O24.C47 |
CHEMBL1365183 | Cc1ccc(S(=O)(=O)n2ccc3c(OCCOCCNCc4ccc(F)cc4)cccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][O][C][C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][P] | Cc1ccc(S(=O)(=O)n2ccc3c8cccc32)cc1.c1%11ccc(F)cc1.C5C6.C7C9.O58.O67.N9%10.C%10%11 |
CHEMBL1365184 | C=CCSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3 | [C][=C][C][S][C][=N][N][=C][N][=C][C][=Branch1][#Branch2][=C][Branch1][C][O][N][Ring1][#Branch2][Ring1][#Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | c15nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3.C=CC4.S45 |
CHEMBL4944744 | COc1ccccc1C(=O)n1nc(NCc2cccc3ccccc23)nc1NCc1cccc2ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=C][Ring1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c1%10cccc2ccccc12.c1%11cccc2ccccc12.C9(=O)n1nc7nc18.c14ccccc19.CO4.N57.C5%10.N68.C6%11 |
CHEMBL4944745 | Cc1cccc2[nH]cc(CCNC(=O)N[C@@H]3CCCC[C@H]3O)c12 | [C][C][=C][C][=C][C][NH1][C][=C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | Cc1cccc2[nH]cc8c12.C17CCCCC1O.C8C6.C45=O.N46.N57 |
CHEMBL4944746 | CC1=CCN(C(=O)Nc2ccc(F)cc2)CC1 | [C][C][=C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | CC1=CCN3CC1.c15ccc(F)cc1.C34=O.N45 |
CHEMBL1365185 | CCCCc1nc(NCCN)c(C#N)c2c1CSC(C)(C)C2 | [C][C][C][C][C][=N][C][Branch1][Branch1][N][C][C][N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][N][C][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | c15nc4c(C#N)c2c1CSC(C)(C)C2.CCCC5.C3CN.N34 |
CHEMBL1365186 | COC(=O)c1cc2ccsc2n1CC(=O)N(C)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cc2ccsc2n17.c15ccccc1.C7C4=O.C36=O.N45C.CO3 |
CHEMBL1365187 | O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][O][Ring1][=Branch2] | c14cc2c(cc1Cl)OCCO2.c15ccccc1.O=C3CC5.N34 |
CHEMBL1365315 | CCN1CCN(c2ncc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc23)CC1 | [C][C][N][C][C][N][Branch2][Ring2][=Branch2][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][=C] | c18ncc%10c2ccccc12.c19cc(Cl)c5cc16.N17CCN8CC1.C4%10=O.CC7.N49.O5C.O6C |
CHEMBL1160812 | N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)C2=O)c1 | [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][N][N][C][C][C][C][N][Branch2][Ring1][=C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][#Branch1][=O][=C][Ring2][Ring1][=C] | S5(=O)(=O)c1ccc(N)cc1.N=C(N)c1cccc7c1.N17CCCCN6C1=O.C16CCN5CC1 |
CHEMBL4944782 | COc1ccc(CN2CCC(N3CCOCC3)CC2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=N][Ring2][Ring1][Ring1] | c14ccc7cn1.N15CCC6CC1.N16CCOCC1.CO4.C57 |
CHEMBL4944783 | Cc1ccc(Cl)c([C@H](C(=O)O)N2CCN(C3CCN(C)CC3)CC2)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][N][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch2] | Cc1ccc(Cl)c6c1.N14CCN5CC1.C15CCN(C)CC1.C46C(=O)O |
CHEMBL4944784 | Cc1oc(-c2cccc(F)c2F)nc1CN1C[C@@H](C)NC[C@@H]1C | [C][C][O][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=N][C][=Ring1][=N][C][N][C][C@@H1][Branch1][C][C][N][C][C@@H1][Ring1][#Branch1][C] | c15cccc(F)c1F.N13CC(C)NCC1C.Cc1oc5nc14.C34 |
CHEMBL4944785 | COc1ccc(C)cc1NC(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][N] | N14CCC2(CC1)CC(=O)N7C2.c15ccc(C)cc16.C7C(C)C.C34=O.CO5.N36 |
CHEMBL4944786 | O=C(NC[C@H]1COC2(CCOCC2)O1)c1ccc(OCc2cccs2)cc1 | [O][=C][Branch2][Ring1][Ring1][N][C][C@H1][C][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][C][=C][Branch1][#Branch2][O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=N] | C18COC2(CCOCC2)O1.c17ccc5cc1.c19cccs1.O=C37.N36.C68.O45.C49 |
CHEMBL1162347 | CC(/C=C(\C)NNC(=N)N)=N/NC(=N)N | [C][C][Branch1][=N][/C][=C][Branch1][C][\C][N][N][C][=Branch1][C][=N][N][=N][/N][C][=Branch1][C][=N][N] | CC(C=1)=NNC(=N)N.C=1(C)NNC(=N)N |
CHEMBL1367105 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NN | [C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#Branch2][C][C][=Branch1][C][=O][N][N] | Cc1c(Cl)c3nn12.C2C(=O)NN.C3(F)(F)F |
CHEMBL1367148 | CCOc1ccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | c18nn(C)c2c1COc1ccccc1-2.c16ccc7cc1.C48=O.CC5.O56.N47 |
CHEMBL1367149 | Cn1c(N)c(C(=O)CSc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O | [C][N][C][Branch1][C][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(N)c5c(=O)n(C)c1=O.c16ccc2c(c1)OCCO2.C5(=O)C4.S46 |
CHEMBL4944850 | COc1ccc(CCN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H](N(O)C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][=Branch1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C@H1][Branch2][Ring1][N][N][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Bra... | N17C(=O)N%11C(N(O)C4=O)C1(C)C.c15ccc8cc1.c1%11cccc9c1.c16cccc%10c1.C9(F)(F)F.C%10(F)(F)F.C8C7.CO5.N46 |
CHEMBL4944851 | COc1ncccc1C(=O)NCc1cncc(-c2cccs2)c1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][O] | c14ncccc16.c17cncc8c1.c18cccs1.C36=O.CO4.N35.C57 |
CHEMBL4944852 | COc1cccc(OCc2nc(C(=O)NCc3ccon3)co2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=C][O][N][=Ring1][Branch1][=C][O][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c16cccc7c1.c1%10nc9co1.c1%11ccon1.C49=O.CO6.O57.C5%10.N48.C8%11 |
CHEMBL4944853 | O=C(c1ccc2c(c1)OCO2)N1CCc2[nH]n(-c3ccccc3)c(=O)c2C1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][NH1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] | N14CCc2[nH]n6c(=O)c2C1.c15ccc2c(c1)OCO2.c16ccccc1.O=C45 |
CHEMBL1369025 | COC(=O)c1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][O] | n1%10ncc2c1-c1ccccc1OC2.c18cc7cc9c1.C6(=O)C%10.C48=O.C59=O.CO4.N67.O5C |
CHEMBL1369026 | NS(=O)(=O)c1cc2c(cc1Cl)N=C(CCC(=O)O)N=S2(=O)O | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][=S][Ring1][=C][=Branch1][C][=O][O] | NS(=O)(=O)c1cc2c(cc1Cl)N=C(CCC(=O)O)N=S2(=O)O |
CHEMBL1369027 | O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCN(S(=O)(=O)N2CCCCC2)CC1.c14cccs1.O=C34 |
CHEMBL1369028 | COC(=O)C(=C/C=C/N1CCOCC1)C(=O)OC | [C][O][C][=Branch1][C][=O][C][=Branch1][N][=C][/C][=C][/N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C] | C=4C=CN1CCOCC1.C2(=O)C=4C3=O.CO2.O3C |
CHEMBL1369029 | COc1cc(O)c(C(CCN2CCOCC2)c2ccc3c(c2)OCO3)c(OC)c1 | [C][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O] | c14cc5c7c(O)c1.c18ccc2c(c1)OCO2.N16CCOCC1.C78CC6.CO4.O5C |
CHEMBL1369030 | O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)CCC2 | [O][=C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | O=C1C2C3C=CC(C3)C2C(=O)N14.c14ccc2c(c1)CCC2 |
CHEMBL1369032 | COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)cc1NC(=O)CN1CCCCC1 | [C][O][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1] | c15cc8c6cc19.c1%10ccc%11cc1.N17CCCCC1.C%11(C)(C)C.C4(=O)C7.C3%10=O.CO5.N38.O6C.N49 |
CHEMBL1369163 | O=C1C(Cl)=C(N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 | [O][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | O=C1C(Cl)=C(N2CCN4CC2)C(=O)N16.c16ccc5cc1.c14ncccn1.C5(F)(F)F |
CHEMBL4934030 | O=C(NCc1ccc2c(c1)CCCN2)c1ocnc1C1CC1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][O][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c16ccc2c(c1)CCCN2.c15ocnc17.O=C35.C17CC1.N34.C46 |
CHEMBL4934031 | COc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1COc1c(C)cccc1C | [C][O][C][=C][C][=C][Branch2][Ring1][S][C@H1][N][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Ring1][=C][C][=C][Ring2][Ring1][O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c17ccc(C2NCCc3c2[nH]c2ccc8cc32)cc1%11.c19c(C)cccc1C.c1%10ccccc1.CO7.O58.C5%10.C6%11.O69 |
CHEMBL4934032 | CN(C)C(=O)CCCS(=O)(=O)CC(=O)N1CCCCCC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | C2(=O)CCCS(=O)(=O)CC3=O.N13CCCCCC1.CN2C |
CHEMBL4934033 | Cc1ccoc1C(=O)N1CCC(Oc2ccc3ncccc3c2)(C(=O)O)CC1 | [C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Ring2] | c16ccc2ncccc2c1.N14CCC58CC1.Cc1ccoc17.C47=O.C8(=O)O.O56 |
CHEMBL4934034 | c1ccc(-n2ncc3c(N4CC[C@H](c5ccccn5)C4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring2][Ring1][N][N][=C][C][=C][Branch2][Ring1][C][N][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][N][=C][N][=C][Ring1][P][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] | n17ncc2c6ncnc21.c1ccc7cc1.N16CCC8C1.c18ccccn1 |
CHEMBL4934035 | COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch2][Ring1][O][C][N][=N][N][C][=Ring1][Branch1][C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=N][O][Ring2][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N] | c18nnn2c1COC7C2.c15ccc9c6c1.c17ccc(Cl)cc1.c19nc8no1.CO5.O6C |
CHEMBL1370744 | COc1ccc(Nc2oc(COc3ccccc3OC)nc2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][O][C][Branch1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=Ring1][#C][C][#N][C][=C][Ring2][Ring1][Branch2] | c18oc%10nc1C#N.c15ccc9cc1.c16ccccc17.CO5.N89.C4%10.O46.O7C |
CHEMBL1370745 | COc1ccc(C2=NOC(COc3ccc4c(C)cc(=O)oc4c3)C2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][O][C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C][Ring2][Ring1][Ring1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O] | c16ccc(C2=NOC9C2)c8c1.c17ccc2c(C)cc(=O)oc2c1.CO6.C59.O57.O8C |
CHEMBL1370867 | COc1ccc(-n2nnnc2C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][N][=N][N][=C][Ring1][Branch1][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][O] | S5(=O)(=O)c1ccc(C)cc1.c14ccc6cc1.C17CCN5CC1.n16nnnc17.CO4 |
CHEMBL4941753 | Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1ccc(Cl)cn1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | Cc1nn(C)c(C)c15.c14ccc(Cl)cn1.C5C2=O.C34C.N23 |
CHEMBL4941754 | CCN1CC[C@@]2(CCC1=O)CN(c1nc3ccccc3s1)CCN2C | [C][C][N][C][C][C@@][Branch1][#Branch1][C][C][C][Ring1][#Branch1][=O][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][N][Ring2][Ring1][Ring1][C] | N15CCC2(CCC1=O)CN4CCN2C.c14nc2ccccc2s1.CC5 |
CHEMBL4941755 | COc1ccc2c(c1)c(CN1CCC[C@H](OCc3noc(C)n3)C1)cn2C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch2][C][N][C][C][C][C@H1][Branch1][=N][O][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][Ring1][=C][=C][N][Ring2][Ring1][Branch1][C] | c16ccc2c(c1)c9cn2C.N17CCCC5C1.c18noc(C)n1.CO6.C79.O45.C48 |
CHEMBL4941756 | CCN1CCC(N(C)C(=O)c2ncnc3ccsc23)CC1 | [C][C][N][C][C][C][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring2][Ring1][Ring1] | c17ncnc2ccsc12.N15CCC6CC1.N46C.C47=O.CC5 |
CHEMBL1370870 | Brc1ccc(OCc2nnnn2-c2ccccc2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Brc1ccc4cc1.c15nnnn16.c16ccccc1.O34.C35 |
CHEMBL1370871 | CN=C(S)N1N=C(c2ccccc2)CC1c1ccccc1Cl | [C][N][=C][Branch1][C][S][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | CN=C(S)N1N=C(c2ccccc2)CC13.c13ccccc1Cl |
CHEMBL1370872 | CC(C)C(C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O | [C][C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | N15C(=O)c2ccccc2C1=O.c14ccc2c(c1)OCO2.CC(C)C5C3=O.N34 |
CHEMBL4941833 | C[C@](C#N)(NC(=O)Cn1cc(C#N)cn1)C1CC1 | [C][C@][Branch1][Ring1][C][#N][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][#Branch1][C][C][C][Ring1][Ring1] | n14cc(C#N)cn1.CC35C#N.C2(=O)C4.C15CC1.N23 |
CHEMBL1364926 | OC1CCCN(c2ncnc3c2nnn3Cc2c(F)cccc2Cl)C1 | [O][C][C][C][C][N][Branch2][Ring1][O][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Branch2] | c14ncnc2c1nnn25.c16c(F)cccc1Cl.OC1CCCN4C1.C56 |
CHEMBL1364927 | COc1cc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2] | S6(=O)(=O)c1cc2c(cc1C)NC(=O)CO2.c14cc5cc7c1.CO4.N67.O5C |
CHEMBL1364928 | CC1CCN(c2nc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3s2)CC1 | [C][C][C][C][N][Branch2][Ring2][#Branch2][C][=N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][S][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][=C] | c18nc2ccc9cc2s1.CC1CCN8CC1.N16CCN7CC1.c1%10ccccc1.C69=O.C7%10 |
CHEMBL1364929 | CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)C3CC=CCC3C2=O)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][#Branch1] | CS(=O)(=O)c1ccc(Cl)c5c1.N16C(=O)C2CC=CCC2C1=O.C4(=O)CC6.N45 |
CHEMBL4941898 | C=C(C)COc1ccc(C(=O)NC[C@H](C)n2cncn2)cc1 | [C][=C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][P] | c15ccc7cc1.n18cncn1.C=C(C)C4.C6C8C.C37=O.O45.N36 |
CHEMBL4941899 | CC(C)NC(=O)c1ncc2c(n1)CN(C(=O)OC(C)(C)C)C2 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N] | c18ncc2c(n1)CN5C2.C6(C)(C)C.CC7C.C48=O.C35=O.N47.O36 |
CHEMBL4941900 | CCN1CCC(NC2CCOCC2)C1c1cc(F)c(F)c(F)c1 | [C][C][N][C][C][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2] | c16cc(F)c(F)c(F)c1.N13CCC4C16.C15CCOCC1.CC3.N45 |
CHEMBL4941901 | CCO[C@@H](C)C(=O)NCCc1nc(C)c(Cl)s1 | [C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=C][Branch1][C][Cl][S][Ring1][#Branch1] | c16nc(C)c(Cl)s1.C4(C)C2=O.C5C6.CC3.O34.N25 |
CHEMBL1364930 | CSC1=NCCN1C(=O)Cc1ccc(F)cc1 | [C][S][C][=N][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | CSC1=NCCN12.c13ccc(F)cc1.C2(=O)C3 |
CHEMBL1364931 | Clc1ccc(SCc2cc(-c3ccccc3)no2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Clc1ccc6cc1.c15cc7no1.c17ccccc1.S46.C45 |
CHEMBL1364932 | COCCSc1nnc(NC(=O)Cc2ccccc2OC)s1 | [C][O][C][C][S][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][S][Ring1][P] | c18ccccc15.c19nnc7s1.C3(=O)C8.C4C6.CO4.S69.N37.O5C |
CHEMBL1366893 | Cc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)c1cc2ccccc2o1 | [C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c17cc2ccccc2o1.Cc1cc5ccc16.c18cccnc1Cl.C38=O.C47=O.N35.N46 |
CHEMBL1366895 | Cc1ccc(CN2CC(C(=O)Nc3ncc(C)s3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.N17CC6CC1=O.c15ncc(C)s1.C46=O.C78.N45 |
CHEMBL1367018 | CCOc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1 | [C][C][O][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2oc7c6c2c1.c17ccccc1.C6(=O)O.CC4.O45 |
CHEMBL1367020 | Cc1noc(C)c1-c1cc(Nc2ccc(F)cc2)ncn1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C] | Cc1noc(C)c15.c15cc3ncn1.c14ccc(F)cc1.N34 |
CHEMBL1367021 | O=C(CN1CCCCC1)Nc1ccc(F)c(Cl)c1 | [O][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(F)c(Cl)c1.N13CCCCC1.O=C2C3.N24 |
CHEMBL1367022 | CC1CCN(c2ccc3nnc(CCC(=O)N4CCN(c5ccc(F)cc5)CC4)n3n2)CC1 | [C][C][C][C][N][Branch2][Ring2][=C][C][C][=C][C][=N][N][=C][Branch2][Ring1][N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][N][Ring2][Ring1][=Branch1][N][=Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][S] | c17ccc2nnc9n2n1.CC1CCN7CC1.N16CCN8CC1.c18ccc(F)cc1.C9CC6=O |
CHEMBL4942091 | CC(C)c1cccc(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)n1 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][Branch1][Ring2][C][C][O][C@@H1][Branch1][C][C][C][Ring1][O][=N][Ring2][Ring1][Ring1] | N13CC(C)N4C(C)C1.c16cccc5n1.CC6C.C35=O.C4CO |
CHEMBL1368772 | Cc1ccc(CN=C(S)N2CCOCC2)cc1 | [C][C][=C][C][=C][Branch1][#C][C][N][=C][Branch1][C][S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S] | C3N=C(S)N1CCOCC1.Cc1ccc3cc1 |
CHEMBL1368773 | S=C(S)NCCCn1ccnc1 | [S][=C][Branch1][C][S][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1] | n13ccnc1.S=C(S)N2.C2CC3 |
CHEMBL1368774 | C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 | [C][=C][C][C][Branch1][Ring2][C][C][=C][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][N][=Ring1][P] | C178CCCN13.c15cccc%10c1.c16cc9on1.C%10(F)(F)F.C=CC7.C8C=C.C36=O.C49.O45 |
CHEMBL1368903 | CCOC(=O)c1n[nH]c2c1COc1ccccc1-2 | [C][C][O][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c15n[nH]c2c1COc1ccccc1-2.C35=O.CC4.O34 |
CHEMBL1368904 | COCCNC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 | [C][O][C][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C@H1][Branch2][Ring1][Branch2][N][P][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C67NP(=O)(c1ccccc1)c1ccccc1.c17ccccc1.C15CC16.C3C4.C25=O.CO3.N24 |
CHEMBL4942159 | Cc1cnc(CNc2ccc(S(=O)(=O)CCO)cc2C)o1 | [C][C][=C][N][=C][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][C][=C][Ring1][N][C][O][Ring2][Ring1][Ring2] | c14ccc(S(=O)(=O)CCO)cc1C.Cc1cnc5o1.C35.N34 |
CHEMBL1368905 | Cc1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15nnc2sc6nn12.Cc1ccc5cc1.c16ccncc1 |
CHEMBL1368906 | Cc1ccc2nc3c(cc(C(=O)NCC4CCCO4)c(=N)n3C3CCCC3)c(=O)n2c1 | [C][C][C][=C][C][=N][C][=C][Branch2][Ring1][S][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=N][N][Ring1][S][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2][C][=Ring2][Ring1][=C] | Cc1ccc2nc3c(cc7c(=N)n39)c(=O)n2c1.C18CCCO1.C19CCCC1.C57=O.N56.C68 |
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