smiles,active
c1ccc(-n2nc3ccc4nonc4c3n2)cc1,0
Cc1cc(C)cc(OCC2CNC(=O)O2)c1,0
CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,0
Cn1c2ccc(F)cc2c2ccc3c(c21)C(=O)C=CC3=O,0
COc1ccc(C=NNC(=N)N)c(C(=O)O)c1OC.O=[N+]([O-])O,0
CC(COc1ccc(C(C)(C)C)cc1)OS(=O)OCCCl,0
CC1NCCOC1c1ccccc1,0
Clc1ccc(C2=NCON=C2c2ccc(Cl)cc2)cc1,0
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2,0
N#[N+][O-],0
c1cncc([C@@H]2CCCCN2)c1,0
CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl,0
COc1ccc(OC)c(C(O)C(C)N)c1,0
[O-][N+]1=Cc2ccc(O)cc2[OH+][Cu-3]12[OH+]c1cc(O)ccc1C=[N+]2[O-],0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C,1
CCCCCCCCCCCCCCCBr,0
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1,0
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,1
O=C1CCCC2(CCCC(=O)N2)C1,0
BrCCCBr,0
o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1,1
CCO[Si](C)(OCC)OCC,0
CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O,1
O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1,0
CC1(C)CO[C@@H](CC(=O)O)CN1,0
O=C(O)CCC(=O)C(=O)O,0
S(C)C1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C,1
O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C,1
Cc1ccc(NC=O)c(C)c1,0
Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2ccc(cc2)C#C)CC12CCC2)CC(C)(C)C,1
CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,1
CCCCCCOC(=O)CC,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOC(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0
S(=O)(=O)(N(C)c1nc(N(CC2CC2C)C)cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C,0
NC(=S)Nc1nc(S)nc2[nH]ccc12,1
O=C1CCC(=O)N1CO,0
c1ccc(SCCSc2ccccc2)cc1,0
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,1
CC1CCCO1,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1
CCCC(C)c1ccccc1O,0
O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1,1
s1cc(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1
CCOC(=O)Nn1c(CC#N)nnc1Cc1ccccc1,0
O=[PH]1Oc2ccccc2-c2ccccc21,0
COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O,1
CC(C)NC(=O)c1ccccc1N,0
CCOc1nc(=O)c(F)c[nH]1,0
ClC(Cl)(Cl)c1ccccc1,0
CCCCCCc1ccc(N)cc1,0
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O,0
CCOC(=O)Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1,0
CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O,1
O=[N+]([O-])c1ccccc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C,1
CCCCOC(C)=O,0
CC(=O)O[C@@H]1CC2C3CCc4cc(OC(=O)c5ccccc5)ccc4C3CCC2(C)[C@H]1OC(C)=O,0
Cc1ccc(C(C)(C)O)cc1,0
C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,1
O=S(O)c1cc(Cl)c(O)c(Cl)c1,0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C,1
Cc1cc(O)cc(O)c1N=Nc1ccc([N+](=O)[O-])cc1,0
C=CC(=O)OCCOC(=O)C=C,0
CC(C)(N)C#N,0
C=CCNC(=S)NC=C(C#N)C(N)=O,0
CC/C=C/CCO,0
Clc1ccccc1N1CCNCC1,0
C[NH+](C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)C(=C(N)[O-])C1=O)O)O)O)Cl)O,1
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,0
OB(O)O,0
CSC(SC)=C(C#N)C(=O)Nc1ccc(Cl)cc1,1
CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(O)C1,1
CCN(CC)c1ccccc1,0
CCCOc1csc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)n1,0
Cc1ccc2c(c1)sc1n[nH]c(=S)n12,0
COc1ccc(O)cc1,0
CCOc1ncn(-c2ccc(NC(=S)NC34CC5CC(CC(C5)C3)C4)cc2)n1,1
CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,0
CC(=NNC(=O)C(C#N)=Cc1ccc(N(CCC#N)CCC#N)cc1)c1ccccc1,0
CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,0
CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C,1
NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O,0
Cc1ccc(NC(=O)CCc2n[nH]c(=S)o2)cc1,0
COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1,0
O=C(N[C@H](C(=O)[O-])C)[C@@H]1CCC[C@H]1[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C,1
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1,1
CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,0
CC(C)(C)OC(=O)c1cccc(N)c1,0
CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1CC,0
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-n6c(C)nc7cc8ccccc8cc76)n5)ccc4C3CCC21C,0
Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1,1
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CCN(C1)C(=O)c1ccccc1,0
COc1cc2ccn3c4cc(OC)c(OC)cc4cc3c2cc1OC,0
CCC(C)OC(=O)N1CCCCC1CCO,0
CN(C)CCN(C)C,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,1
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C,1
Nc1ccc(N)c(Cl)c1,0
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,0
C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl,1
CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C,0
Cc1cc(S(=O)(=O)n2ccnc2Oc2ccccc2N)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccccc2N)cc1Cl,0
CC1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2([C@]1(C(=O)CCl)O)C)O)F)C,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(OC)cc1,0
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)C(CC(C)C)NC=O,0
COCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F,1
O=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1,0
CC(=O)C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)[O-],1
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,0
Cc1ccc(C)c(S(=O)(=O)O)c1,0
CN(C)CCSC(=Nc1ccccc1)N1C=COC=C1,0
CCC(C)[C@@H]1[C@H](CC[C@@]2(O1)CC3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)OC7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C.C[C@H]1CC[C@]2(CC3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)OC7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O[C@@H]1C(C)C,1
COC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1,0
O=C(O)/C=C/C(=O)O,0
ClC1c2ccccc2-c2nsnc2C1Cl,0
C(=Cc1ccccc1)C1=[O+][Cu-3]2([O+]=C(C=Cc3ccccc3)CC(c3ccccc3)=[O+]2)[O+]=C(c2ccccc2)C1,0
O=C(NCCc1ccccc1)c1c(O)nc2ccccc2c1O,0
CC(C=C(C#N)C#N)=Cc1ccc([N+](=O)[O-])cc1,0
CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1,0
CCOC(=O)Oc1cc2c(ccn2C)c2c1c1ccccc1n2C(=O)OCC,1
Clc1nc2ccccc2nc1Cl,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1,1
Fc1ccc(cc1C#CCCC)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1
C/C=C(C)/C=C/C=C(C)C,0
c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1cccc(O)c1,0
C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O,1
Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl,0
C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3,1
CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O,1
Nc1cccc(S(=O)(=O)O)c1,0
Cc1cc(=O)oc2cc(N(C)C)ccc12,0
O=C1C(Cl)=C(Cl)C(=O)c2ccccc21,0
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,0
N#Cc1cccc(C#N)c1,0
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(cc1)CCC)-c1cncnc1,1
Cl[Sn](Cl)(Cl)Cl,0
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cn1)C([NH3+])(Cc1ccccc1)C)C,1
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,0
Oc1ccc(-c2ccccc2)c(Cl)c1,1
COc1c2occc2c(OC)c2c(=O)cc(C)oc12,0
C=CC(=O)OCC1CC2CC1C1CCC(COC(=O)C=C)C21,0
CCOC(=O)C(=O)Nc1nc2ccc(OC)cc2s1,0
[Li+].[Li+].C(=O)([O-])[O-],0
CCC1(c2cnc[nH]2)Cc2ccccc2C1,0
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)CO,0
CC1=C(C=CC2=C1C(=[NH+]C(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC,1
O=P(c1ccccc1)(c1ccccc1)c1ccccc1,0
COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=Nc1ccc(cc1)N=C2,0
S=c1sc(-c2ccc(Cl)cc2)nn1CSc1nc2ccccc2[nH]1,0
O=C(O)CCCl,0
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,1
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2,0
CC(=O)N[C@@H]1C(O[C@H]2O[C@H](C(=O)O)C(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C(C(=O)O)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2NC(C)=O)[C@H](O)[C@H]1O,0
COC1(OC)CC2C(=O)CCCC21OC,0
OCC(O)CO,0
CCCC[N+](=O)[O-],0
Cc1nc(O)nc(O)c1C=CC(=O)NC(CO)CS(=O)Cc1ccccc1,0
CCOC(=O)C1Nc2ccccc2C2OCCC12,0
OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)CO)CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C,1
C=C(C)C(=O)OCC,0
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC,0
CC(=O)/C=C/c1ccccc1,0
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1
CC(C)OB(OC(C)C)OC(C)C,0
OC1CCCCCCCCCCC1,0
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O,1
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,0
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H]1OC,0
COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],1
CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.Cl,1
Cc1ccc(O)c(O)c1,0
O=C1C2=C(C(=O)c3c(O)ccc(O)c31)C(O)C(O)C(O)C2,0
CC1=C(C(=O)Nc2ccccc2C)C(C=Cc2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1,0
CCN(CC)CCNC(=O)C1=CC=C(C=C1)N,1
C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-],1
CCOC(=O)/C=C(/C)O[AlH3](OC(C)CC)OC(C)CC,0
Cn1c(=S)[nH]c2c(Cl)cc(Cl)cc2c1=O,0
CC(=O)OC1CC(C)OC(C)O1,0
O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N,1
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c2ccc(Cl)c3C)cc1,0
CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,1
CC1=C2C3OC(=O)C(C)C3C(O)CC2(C)C(=O)CC1,0
CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,0
O=C(c1ccccc1O)c1ccccc1O,0
O=C(O)c1ccc(C2COc3ccc(Cl)cc3C2)cc1,0
CSC(SC)=C1CC(=O)Nc2ccccc2C1=O,0
S1(Oc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]CC#C)Cc1ccccc1)(=O)=O,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,1
CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,0
Cl[In](Cl)Cl,0
CC1=C(C(C(=C(N1)C)C(=O)OCC[NH+](C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC,0
CCCCCCCCCCCCCCCCCCOCC(O)CO,1
O=C(NC(=S)Nc1ncc([N+](=O)[O-])s1)c1ccccc1C(=O)NC(=S)Nc1ncc([N+](=O)[O-])s1,1
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(F)cc2)ccc1F)N,1
CCC(C)C1(C(=O)NC(=O)NC1=O)CC,1
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0
CC(C=O)Cc1ccc2c(c1)OCO2,0
CCC(C)(C)CC,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC,1
CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)cc2c(c1O)CCC1C(C)(C)CCCC21C,0
CN(C)CCCO[C@H]1[C@@H](C(O)CO)O[C@@H]2OC(C)(C)O[C@H]12,0
O=C(O)c1ccc(-c2ccc(-c3cc(=S)sc(=O)[nH]3)cc2)cc1,0
N=c1[nH][nH]c(=N)n1-n1c(=N)[nH][nH]c1=N,0
CCOC(=O)C1C(=O)CC1(C)C,0
COC(C=C(C)CCC=C(C)C)OC,0
O=C(C=Cc1c(O)ccc2ccccc12)c1ccc2ccccc2c1,0
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1,0
S(CCC([NH3+])(Cc1ccccc1)CO)c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1,0
CC1CCCC(=O)C1=O,0
O=C(O)c1cc(Br)c(O)c(Br)c1,0
Clc1cc2nc(n(c2cc1)C(CC(=O)N(CC1CCCCC1)C)CC)N,0
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C,0
C(CC(=O)O)C(=O)CN,1
NP(N)(=O)NC(=O)c1ccc(F)cc1,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)C(N)=O,0
CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1,0
C=Cc1cc[n+](Cc2ccc(C[n+]3ccc(C=C)cc3)cc2)cc1,1
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F,1
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,1
CC(=O)c1ccc[nH]1,0
N=C(N)NCC1COc2ccccc2O1,0
CCCCCCCCCCCC(=O)N(C)CC(=O)[O-],0
O=C1O[C@H]([C@H](O)CO)C(O)=C1O,0
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,1
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1,0
O=c1c2ccccc2[se]n1-c1ccccc1,0
C=C1C2CCC(C2)C1(C)C,0
CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C,1
COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F,0
s1ccnc1-c1cc(ccc1F)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
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]21,0
CC(CCC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5ccccc5[nH]4)CCC32)C1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,0
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1,1
CCC1(OP(=O)(O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,0
O=c1[nH][nH]c(=O)c2cc([N+](=O)[O-])ccc12,0
Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1,0
COCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(N)=O,0
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1,0
NC(=O)NNc1ccccc1,0
CCCCOC(=O)CC#N,0
Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F,0
CN1CNC2C(=O)CCC2c2ccccc21,0
CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1,0
C#CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1,0
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C,1
Cc1cccc(C(=O)c2cccc3ccccc23)c1C(=O)O,0
C1=CC(=CC=C1C(CC(=O)O)CN)Cl,1
CCC(=O)O[C@]1(C(=O)COC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C,0
CCOc1ccc(N)c([N+](=O)[O-])c1,0
Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,0
CCC(C=O)CC,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)[O-])c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1,0
CCCSP(=O)(OCC)SCCC,0
CCC(CN)CC(C)CCNCC(O)CNCC(C)CC(CC)CN,0
CCCCc1ccc(C(=O)O)nc1,0
CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,1
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1,1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1,0
CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,1
O=c1cccccc1O,0
Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC,1
C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2N)Cl,1
O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,1
COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,0
FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1ccc(OC)nc1,0
CCN1CCc2nc(N)oc2CC1,0
Nc1ccc(-c2ccc(F)cc2)cc1,0
CCOC(=O)/C=C/C(=O)OCC,0
CN(C)CCNC(=O)c1cc([N+](=O)[O-])cn1C.Cl,0
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O,0
C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1
COC(C)(OC)OC,0
COc1ccc2nc3ccccc3c(NCCCN(CCCl)CCCl)c2c1.Cl,0
CC1(C)SC(CN)NC1C(=O)OC(c1ccccc1)c1ccccc1,0
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=S)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1.[NaH],1
O=C([O-])COc1nn(Cc2ccccc2)c2ccccc12,0
CCC(C)COC(=O)CC(C)C,0
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,1
CN(C)CCOCCN(C)C,0
CC1(C)Oc2ccc3c(=O)cc(-c4cccs4)oc3c2C1C(=O)O,0
c1ccc(NN=C2CC(c3ccccc3)Oc3ccccc32)cc1,0
CCOc1ccc(NC(N)=O)cc1,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21,0
OCCc1ccccc1,0
Cc1ccc2c(c1)Nc1cc(C(F)(F)F)ccc1[PH]2=O,0
CCOC(=O)c1ccc([C@H]2CC[C@H](NC[C@H](O)COc3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C,0
CC(=O)O.O=C(CCN1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O,0
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,0
COC(C)COC(C)COC(C)CO,0
CCCCCC(N)=O,0
O=C(C=Cc1ccccc1)C=Cc1ccccc1O,0
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,1
O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCCC4)CCCC2,0
COc1cc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC,0
CN(N=Cc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1,0
CCC(=O)OCCc1ccccc1,0
NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,0
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,0
CCCCCCCCCCCCCCCCCCN1C(=O)c2ccccc2[Se]1=O,0
ClC(Cl)C(Cl)Cl,0
c1ccc(-c2cc(-c3ccncc3)cc(-c3ccncc3)n2)cc1,0
Cc1ccc(CS(=O)(=O)CN=C2Sc3ccccc3NC2=CC(=O)c2ccc(Cl)cc2)cc1,0
C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Nc1ccc2cc3ccc(N)cc3nc2c1,0
Oc1ccc(Nc2ccccc2)cc1,0
Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2ccccc2)C1O,0
Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3C)c(S(=O)(=O)O)cc2c1,1
O(CC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
CCc1ccc(C)cc1,0
C[C@H](CN1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1,0
Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)OCc2ccccc2)C(=O)NC2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)cc1,0
CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC,0
CCn1cc[n+](C)c1.F[B-](F)(F)F,0
O=c1[nH]c2nccn2c(Cl)c1Br,0
CCOC(=O)c1c(C)n(C)c2ccc(O)cc12,0
O=C1c2c[nH]nc2C(c2ccccc2)N1c1ccccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21,1
C=CC(C)(O)CC/C=C(\C)CCC=C(C)C,0
Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,0
CC12CCC(C1)C(C)(C)C2O,0
Nc1cccc2nnccc12,0
Cc1ccccc1S,0
Cc1ccc2c(c1)C(=O)c1ccccc1C2=O,1
CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5,1
COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C,0
CC1(CCCO)CCCCCCCCCC(C)(CCCO)C1=O,0
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O,1
Cl/C=C\C[N+]12CN3CN(CN(C3)C1)C2,0
CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1,0
COC(=O)C(C)(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1ccccc1,0
CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O,1
CC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,0
O=C1NC(=O)C(=Cc2ccncc2)N1,0
CN(C)CCNS(=O)(=O)c1ccc(N)cc1,0
ClC(Br)Br,0
CC(N)C(O)CC=CCC(O)C=CC=CCC=CCC=CCC=CCCCCCCC(O)C(C)N,0
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccccc12,0
CCC(C(=O)NC1CN2CCC1CC2)c1ccccc1,0
CC(=O)C(=[N+]=[N-])C(=O)OCCOC(=O)C(=[N+]=[N-])C(C)=O,0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C,1
Cc1ccc(C)c(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c1,0
CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,0
s1ccnc1-c1cc(ccc1)CC(NC(=O)C(OCC)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
O=C(NC(=Cc1c(O)ccc2ccccc12)c1nc2ccccc2[nH]1)c1ccccc1,0
CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2,0
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3,1
CCOCCOC(=O)C=Cc1ccc(OC)cc1,0
CCCCCCC,1
CC(C)CON=O,0
OC(C(NC(=O)c1cc(N(C(=O)C)c2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C,0
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,0
OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F,0
CN1C(=O)C(O)(Cc2cccc(O)c2)N(C)C(=O)C1Cc1c[nH]c2cccc([N+](=O)[O-])c12,0
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl,0
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,0
CC1=C(CO)C2=[N+]3C1=Cc1c(CO)c(C)c4n1[Fe-3]31(Cl)n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,0
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,1
NNC1=NC(=Cc2ccccc2O)C(=O)N1,0
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,0
CCCC[n+]1ccccc1,0
CC(=NC#N)N(C)Cc1ccc(Cl)nc1,0
Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N,0
COc1ccc2c(c1)[n+](=O)[c-](S(=O)(=O)c1ccc(C)cc1)[c-](N)[n+]2=O,0
CC#CC(O)(C(=O)OC1CCC2CCC1N2C)C1CCCC1,0
N=c1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)[nH]1.N=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,0
CN1C(CC(O)(c2ccccc2)c2ccccc2)CCCC1CC(O)(c1ccccc1)c1ccccc1,0
N#CC(C(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Br)cc1)c1ccc(Br)cc1,0
CN(C)C1C(O)=C(C(=O)NCN2CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,0
C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,0
[Na]I,0
Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,1
O=P(O)(OCc1ccccc1)OCc1ccccc1,0
CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N,0
C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1,0
OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,0
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,1
O1CCCCNc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1
CC(C)c1cc(C(C)C)cc(C(C)C)c1,0
O=C(O)Cn1ncn(NC(=O)Cc2ccccc2)c1=S,0
CC(C)N1CNC(=O)C12CCN(CC1COc3ccccc3O1)CC2,0
CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(CCCCCCN2C(=O)C4C5CC6C7(C)CCCC(C)(C(=O)O)C7CCC6(C=C5C(C)C)C4C2=O)C(=O)C13.[NaH],0
C=C(CCCC(C)OCOCCOC)[Si](C)(C)C,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0
O=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21,1
CN(C)c1ccc(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)=C1C2=O,0
Cc1ccc(C)c(N)c1,0
COc1cc(C)nc(-n2nc(C)cc2OC)n1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)OCc6ccc([N+](=O)[O-])cc6)c5)c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)OCc6ccc([N+](=O)[O-])cc6)c5)CCC4(C)C3CCC12C,1
CC1=Nc2ccc3ccccc3c2C1(C)C,0
Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C,1
N[Co-4](N)(N)(N)(N)[OH+]C(=O)CCl.[O-][Cl+3]([O-])([O-])O,0
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O,1
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,0
Cn1c(=O)oc2cc(C(=S)N3CCC(Cc4ccccc4)CC3)ccc21,0
CC1CC(CC2CCC(N)C(C)C2)CCC1N,0
S1(=O)(=O)CC(Cc2cc(OCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
Fc1ccccc1CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CSc1nc(C)c2c(n1)SCC2,0
c1nn2cnnc2s1,0
CC1=[N+]2N=C(c3ccccc3)[OH+][Ni-4]234(O)[OH+]C(c2ccccc2)=N[N+]3=C(C)c2cccc1[n+]24,0
C/C=C/C(=O)Oc1c(CCCCCC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-],0
Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
CN1C2=CC(=O)C(=NNC(N)=O)C=C2CC1S(=O)(=O)[O-],0
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O,1
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O,1
CCC1=NC=CC(=C1)C(=S)N,1
CCCCC(CC)(CO)CO,0
O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1,1
O=C(O)O,0
CCOC(=O)NC1=NCC(C)S1,0
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F,0
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)NN=Cc1ccccc1O,0
O=C(O)CSC(=O)Nc1ccc(N=Nc2ccccc2)cc1,0
O=c1n(-c2ccccc2)c(=O)n2n1C1CC3c4ccccc4C1C32,0
CCCCCCCCCCCCOC(C)=O,0
CCSC(=O)N(CC(C)C)CC(C)C,0
CC(=O)NC1(c2cccc(F)c2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(c3ccccc3)C(=O)CO2)CC1.O=C(O)CCC(=O)O,0
COc1ccc(OC(C)=O)c2c1CCC=CC2=O,0
COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1,0
COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1OC,1
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2occn2)CC12CCC2)CC(C)(C)C,1
CC(=CC1C=C(C)C2CCC(C)C2C12OC(=O)C(C)=C2O)CCCc1ccoc1,0
CCCCCCCCCC(CC)c1ccc(S(=O)(=O)O)cc1.OCCN(CCO)CCO,0
Clc1ccc2nsnc2c1NC1=NCCN1,1
CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31,1
Cc1sc2c(c1C)C(=O)c1cccn1-2,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NOC)CC1)c1cc(ccc1)C(C)(C)C,1
CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1,0
CCc1ccccc1N,0
CC(=O)[O-].CC(=O)[O-].[Mg+2],0
Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O,0
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,1
CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC,1
O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)CCC2,0
CCOP(=S)(OCC)SCSCC,0
s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@@H](OC)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
Cc1ccc(C(C)c2ccc(C)c(C)c2)cc1C,0
CCOC(=O)N1CCN(P(=O)(Nc2ccc3[nH]c(NC(=O)OC)nc3c2)Oc2ccccc2)CC1,0
Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(cc2)C#N)cc1,1
Oc1ccc2ccccc2c1/N=N/c1ccccc1,0
CC1SC(c2c(F)cccc2Cl)n2c1nc1ccccc12,1
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,1
Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O,1
C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O,0
CCC(CN)=C(c1ccccc1)c1ccccc1,0
CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,1
CCCCCC[n+]1ccccc1,0
COC1CC(=C(c2cccs2)c2cccs2)C[N+](C)(C)C1,0
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2,1
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O,1
O=C(O)C(Cl)Br,0
Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21,0
COC(=O)C=Cc1ccc(OP(=O)(O)O)c(OC)c1,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N,1
O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N,1
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1,0
Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1,1
CCOP(O)OCC,0
[NH3+]O.[NH3+]O,0
O=c1[nH]c2ccc(CC(=S)N3CCOCC3)cc2s1,0
CC(C)(C)c1ccc(C(=O)O)cc1,0
OCCOCCOCCO,0
CC1OC1C1CCC2(C)OC2C1,0
N#CCc1ccccc1[N+](=O)[O-],0
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,0
O=[N+]([O-])c1ccc2c(c1)c1nn2CCCCOc2nn(c3ccc([N+](=O)[O-])cc23)CCCCO1,0
CC1=C(C=CC2=C1N=C(C=C2OC3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC,1
CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1,0
O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1,0
O=C1NC(=S)NC1=Cc1cccs1,0
O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1
CC(C)(C)c1cc(O)ccc1O,0
CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O,1
C=CCc1cccc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc12,0
COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1,0
CC1(C)OC(=C(C#N)C#N)C(C#N)=C1C=Cc1ccncc1,0
CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,0
ClCCN1CCCC1,0
CN(C)c1ccc(CCO)cc1,0
C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CNC(=O)OCCOC)O)C(=O)O)O)O)NC(=O)C,0
Nc1ccc(Cc2ccc(N)cc2)cc1,0
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC,0
COc1ccccc1O,0
[Fe],0
Cc1cn(C2CC(CC=[N+]([O-])CC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,0
C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CNC(=O)CC(CCCN)N)CO)N)N,1
S(=O)(=O)(N1C[C@@H]([NH2+]CC1)[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1)c1ccccc1,1
COc1ccc2c3c(c(C(=O)O)oc13)C(CCC(=O)O)CC2,0
COC(=O)c1cccnc1,0
CC(=NNC(=[Se])N1CC2CCC(CC2)C1)c1ccccn1,0
S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C,0
O=C1C2=C(c3ccccc31)C(c1ccc(Cl)cc1)N1C(=O)CCSC1=N2,0
O=[N+]([O-])c1ccccc1Cl,0
CC(C)(C=O)CC(C#N)C(=NNC(N)=O)C(=O)Nc1ccccc1C(N)=O,0
O=C(Cl)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl,0
COC(=O)CC1NC(=O)C1C(C)(OC)OC,1
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C,1
Cc1cc2nc(N)sc2cc1C,0
CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
C1=CCCC=CCCC=CCC1,0
COc1cc(-c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl,0
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21,0
CCCNC1CCC2=C(C1)SC(=N2)N,1
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,1
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(F)ccc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCc1ccccn1,0
CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,0
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C,1
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC,1
CCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0
Cc1cc(Cl)ccc1NC(=O)CCC(CC(=O)C(C)C)=NNC(=O)C[n+]1ccccc1.[Cl-],0
COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,0
COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)C)CC4C3C2=O)cc1,0
CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,1
O=C(c1ccccc1)C1(O)CCCCC1,0
CCN(CC)CCNC(=O)C1C(C)=NC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C.O=C(O)CC(O)C(=O)O,0
O=S(=O)(OC[C@H]1O[C@H](O[C@]2(COS(=O)(=O)O[AlH3](O)O)O[C@H](COS(=O)(=O)O[AlH3](O)O)[C@@H](OS(=O)(=O)O[AlH3](O)O)[C@@H]2OS(=O)(=O)O[AlH3](O)O)[C@H](OS(=O)(=O)O[AlH3](O)O)[C@@H](OS(=O)(=O)O[AlH3](O)O)[C@@H]1OS(=O)(=O)O[AlH3](O)O)O[AlH3](O)O.O[AlH3](O)[AlH3](O)O.O[AlH3](O)[AlH3](O)O.O[AlH3](O)[AlH3](O)O.O[AlH3](O)[AlH3](O)O,0
C[C@@]1([C@@H]2C[C@@H]3[C@H](C(=O)C(=C(N)[O-])C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)[NH+](C)C)O,1
CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O,0
COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,0
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1,0
CCC(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F,0
Nc1nc(Cl)cc(NCC2(O)CC(CO)C2)n1,0
CCOC(=O)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,1
N#CC12C(=N)CCC1C1CC2C2C3C=CC(C3)C12,0
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,0
[O-]S(=O)(=O)[O-].[Zn+2],0
Nc1ccc(Nc2ccccc2)cc1,0
CCc1cc(OC)c(C[C@@H](C)N)cc1OC,0
BrC(Br)C(Br)Br,0
C[C@H]1[C@H](O1)P(=O)(O)[O-].C(C(CO)(CO)[NH3+])O,1
CC(=O)C(=[N+]=[N-])C(=O)N(C)CCC#N,0
CC(C=O)=Cc1ccc([N+](=O)[O-])cc1,0
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,0
NC(=O)OCC(O)COc1ccc(Cl)cc1,0
CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,0
CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C,1
COCCOCCOCCOCCOC,0
COc1ccc2c(c1)OCC(O)(c1ccccc1)C2=O,0
CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC,1
CCCCNC=C1C(=O)Nc2ccccc2NC1=O,0
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1,0
COS(=O)(=O)[O-],0
FC(F)(F)c1ccccc1C=NC12CC3CC(CC(C3)C1)C2,0
Oc1ccc2c(c1)OCO2,1
C1=CC(=CC=C1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.[Na+].[Na+],0
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O,1
CC(=O)OCc1cc(=O)n2c([nH]c3ccccc32)c1C#N,0
CCC(Cl)=NOC(=O)NCc1ccc(F)cc1,0
O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)CC1)c1cc(ccc1)-c1cncnc1,0
O=S1(=O)CS(=O)(=O)OCCCCCO1,0
CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2,0
Cc1cc(-c2ccc(C(=O)C(Cl)(Cl)Cl)[nH]2)on1,0
N#CSCSC#N,0
C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N,1
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCOC)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,1
O=C(Cc1ccccc1)NC1COC(=O)C2CCCN2C(=O)C2CCCN2C1=O,0
Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#N,1
C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54,1
Cc1cccc(C(=O)O)c1O,0
CNC(=O)N(c1ccccc1)c1ccccc1,0
C1=C/C(=C/2\N/C(=C\3/C=CC=CC3=O)/N(N2)C4=CC=C(C=C4)C(=O)O)/C(=O)C=C1,1
O=C(Cn1ccnc1[N+](=O)[O-])NCCO,0
CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1,0
O=C(O)CP(=O)(O)O,0
CC[PH+](CC)CC.CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[SH2+])OC(=O)C)OC(=O)C)OC(=O)C.[Au].[Au],1
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1,0
OCC1OC(n2nc(-c3ccccc3)nc2-c2cnccn2)C(O)C1O,0
NC(=O)N(O)[C@@H]1COc2cc(OCc3ccccc3)ccc21,0
O=C(O)CNC(=O)c1ccc(CO)o1,0
CCc1cccc(CC)c1NC(=NC(=O)c1ccc(Br)cc1)SC.I,0
S1(=O)(=O)CC(Cc2cc(CC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
O=C(C)c1ccccc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N,1
CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,1
CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC,0
C1CCN2CC34CC(CC5CCCN(C6CCCC3N6)C54)C2C1,0
CCOC(=O)C(C)O,0
[C-]#N.[Cu+],0
O=c1oc2ccccc2c(O)c1C1CCCc2ccccc21,0
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,1
CC(CC=O)CC(C)(C)C,0
CCC[C@]1(CC(=O)C(=C(O1)[O-])[C@H](CC)C2=CC(=CC=C2)[N-]S(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4.[Na+].[Na+],1
s1cc(cc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5,1
O=C(CCl)NCO,0
O=C1c2ccccc2C(c2ccccc2)(N2CCCCC2)N1c1ccccc1,0
CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C,1
N#CC1(O)CCCCC1,0
C1CC(OC1CO)N2C=CC(=NC2=O)N,1
S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C,0
CC(Cl)CCl,0
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O,0
N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4C[C@H]4F)c3c2Cl)CC12CC2,0
CC(Oc1ccc(Cl)cc1Cl)C(=O)O,0
CNC(=O)Oc1cc(C)cc(C(C)C)c1,0
CC(C)(O)CCc1ccccc1,0
O=C(N=C1[Se]C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1ccc([N+](=O)[O-])cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCC(C)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,1
CC1CCC(C(C)(C)S)C(=O)C1,0
Fc1ncccc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,0
Cc1cc(C(=O)O)c(C)n1-c1cccc(C(=O)O)c1.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46,0
O=C1C=CC(=C(c2ccc(O)cc2)c2c(Br)c(Br)c(Br)c(Br)c2S(=O)(=O)O)C=C1,0
CCC(=O)Nc1ccc(Cl)c(Cl)c1,0
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)C(=O)C,0
CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C.Cl,1
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C,0
CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,0
Cc1n(Cc2ccc([N+](=O)[O-])cc2)c2c([n+]1-c1ccccc1)C(=O)c1ccccc1C2=O,0
C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt],1
COC(OC)c1cccnc1C,0
COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,0
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2nnn(c2c1)CC)Cc1ccccc1,1
CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O,0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)CNc1ccccc1)Cc1ccccc1)C,1
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC,1
O=C1CC2CC(CC3(CO3)C2)C1F,0
CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1,1
CC1(C)C(=O)CCC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)CCC(=O)C(C)(C)c2ccc1o2,0
Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(OC3)N)cc1,0
C=C(C)CCC[C@H](C)CCO,0
O=C(O)CC(=O)O,0
COC(C)CCO,0
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,0
COc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(OC)cc2)C(C)C)C(C)C)cc1,0
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,0
COc1ccc(CC2COC(=O)C2Cc2ccc3c(c2)OCO3)cc1OC,0
CCCOC(C)=O,0
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1,1
COc1cc2c(c3oc(=O)ccc13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2,1
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)CF,1
O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C)N,1
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CC1=C(C(=O)Nc2c(C)cccc2C)C(c2ccccc2Cl)C(C(=O)Nc2c(C)cccc2C)=C(C)N1,0
COC(=O)c1cc(C(=CCCN=[N+]=[N-])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,1
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccccc1O)SC(=N)N2,0
CCOC(=O)C1SC(=Nc2ccc(C)c(C)c2)N=C1C,0
CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31,1
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br,0
S1(=O)(=O)CC(Cc2cc(C3CC3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1,1
Cc1cn(C2CC(NO)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,0
CC1=CC(C)(c2c[nH]c3ccccc23)CC(C)(C)c2c1[nH]c1ccccc21,0
Cc1cc(S(=O)(=O)[O-])ccc1/N=N/c1c(O)ccc2ccccc12,0
CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C,0
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,0
C=CCCCCCCCCCCC,0
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,0
CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0
NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCCNOC(=O)CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,1
CC(C)CC(C)C,0
Nc1ncnc2c1ncn2C1OC(C(O)CO)C(O)C1O,0
C[n+]1ccn(Cc2ccccc2)c1,0
CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO,0
CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C,0
C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O,1
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,1
CNC(=O)C1CCCCNC(=O)CCC(NC(=O)OCc2ccccc2)C(=O)N1,0
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N,1
NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1,0
C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO,1
CCCCCCCCCCCCCN1CC(C)OC(C)C1,0
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(N)c1.[NaH],0
CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,0
CCN(CC)CCCl,0
Oc1ccc(Cl)cc1Cc1ccccc1,0
s1cc(cc1C(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
CCSc1nc(=Cc2ccco2)c2nnnn12,0
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC,1
CC(C)(C)NCC(=O)NC1=C(C2=C(CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C2O)O)O)C(=O)N)N(C)C)C(=C1)N(C)C)O,1
O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1
[NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC,1
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCOC,1
CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,0
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N,0
CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C,0
CCCCCCCCCCCCCCCC(=O)OCC1CCC[N+]2(C)CCCCC12.[I-],0
CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],1
I.O=C(O)c1ccccc1C=NN(CCO)C1=NCCN1,0
C=C1CC(c2ccc(O)c(OC)c2)Oc2c(OC)cccc21,0
CC1CN1c1c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)nn(C)c1=O,0
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,1
N#C/C(=C1\SCC(c2ccccc2Cl)S1)n1ccnc1,0
CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC,0
O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O,0
O=C(OCCc1ccccc1)c1cc2cc(O)c(O)cc2cn1,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0
Cc1occc1SSc1ccoc1C,0
OCCBr,0
C1CCC(CC1)NC(=O)N(CCCl)N=O,1
O=C(O)C(Br)Br,0
CC(C)(C)C1(O)Cc2ccccc2C(=O)O1,0
Brc1ccc(-c2csc3c2-n2cccc2C3=[N+]2CCCC2)cc1.O=P([O-])(Cl)Cl,0
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,1
CC(O)COCC(C)O,0
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c(=O)c3cc12,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cc(ccc1)C#N)c1ccncc1)N,1
COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)[O-])n1,0
CCc1nc(C)c[nH]1,0
CCN(CC)C(=Nc1ccc(Cl)c(Cl)c1)SC(NC=O)=C(Cl)Cl,0
O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc2ccccc2c1,0
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1,0
CC/C=C\CCCCCCCCCCOC(C)=O,0
O=C1c2c(O)cc(O)cc2OC12c1c(cc(O)c3c1OC(c1ccc(O)cc1)C(O)C3)OC2c1ccc(O)cc1,1
CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N,1
Cc1ccccc1OP(=S)(Oc1ccccc1C)Oc1ccccc1C,0
C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl,1
O=C(CC(=O)C1=CNc2ccccc2S1)C(=O)Nc1ccc(Cl)cc1,0
NC(C(=O)O)C1CC(Cl)=NO1,0
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,0
COC(=O)c1cc(C(=CCCN)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC.Cl,0
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2,0
c1ccc2c(c1)CCNC2,0
O=c1c2ccccc2oc2cc(Br)ccc12,0
CC(C)CNC1=NCC(C)S1,0
C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl,0
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,1
Cc1c(C#N)c(N)n(C2OCC(O)C(O)C2O)c(=S)c1C#N,0
CC12CC(c3ccccc3)Nc3ccccc3N1C(c1ccccc1)=NO2,0
CC(C)Oc1ccccc1O,0
C=CCc1cc(S(=O)(=O)c2ccc(O)c(CC=C)c2)ccc1O,0
O=C(O)c1cccc(Cl)c1,0
CCOc1cccc([C@]2(N3CCN(c4ccccc4)CC3)CC[C@@H](C)CC2)c1,0
CC(=NNC(=S)Nc1ccccc1C)c1ccccn1,0
O=C1N(C)C(=N[C@@]12CC(Cc1c2cc(cc1)-c1cncnc1)(C)C)N,1
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F,0
CC(=NOc1cc(Cl)ncn1)c1ccccn1,0
NC(=S)Nc1cccc2ccccc12,0
O=c1oc2ccccc2c(O)c1Sc1c(O)c2ccccc2oc1=O,0
COC1OC2CCN3C(=O)C(OC(=O)c4ccc([N+](=O)[O-])cc4)C1C23,0
C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-],1
CC1CCC2CC(=O)NC(=O)CC12,0
C=CCOCC(O)CS(=O)(=O)[O-],0
Cc1nc(Nc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)sc1C(=O)CC(=O)Cc1nc2ccc(Cl)cc2nc1O,0
CC(CNNC(=N)N)NNC(=N)N.O=S(=O)(O)O,0
C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N,1
COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C#N)C1,1
CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O,0
Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1,0
O=C1C=C(c2ccc(O)cc2)C(O)Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O1.O=C1C=C(c2ccc(O)cc2)C(OC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)cc2O1,0
CN(C)C1CS(=O)(=O)OC2=C1CCc1sccc12,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,0
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N,0
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,1
s1cc(cc1)C[C@H](NC(=O)c1cc(nc(NC[C@H]2C[C@@H]2C)c1)N(S(=O)(=O)C)C)[C@@H]([NH3+])CCCC,1
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC,1
CN(C)c1ccc(C=NNC(=S)Nc2ccccc2)cc1,0
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl,0
O=C(O)CO,0
Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N,0
O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(N4CCCC4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2,1
O=C1C(=Cc2cccc(Cl)c2)CCc2ccccc21,0
CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O,1
Nc1nc(=O)c(Br)c(-c2ccccc2)[nH]1,0
Oc1ccc(Cc2ccc(O)cc2)cc1,0
CCOC(=O)C(C)NC(=O)NC12CC3CC(CC(F)(C3)C1)C2,0
S(=O)(=O)(C(CCC)CCC)C[C@@H](NC(OCc1ccccc1)=O)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1,0
CCCCCC(C=O)=Cc1ccccc1,0
C#CCN(C)CCCOc1ccc(Cl)cc1Cl,0
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,1
CC(=O)C(C)C,0
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N,0
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21,0
OCC#CCO,0
C#CCOc1ccc2c(C)cc(=O)oc2c1,1
c1ccc(N=C(Nc2ccccc2)N2CCCCC2)cc1,0
C1CC1NC2=NC(=NC3=C2N=CN3[C@@H]4C[C@@H](C=C4)CO)N.C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,1
O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O,0
CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,1
O=C(CCCl)NCCc1ccccc1,0
C1=CC=C(C(=C1)C(=O)O)O,1
CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1,1
CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C,0
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,0
CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,0
CC(C12CC3CC(C1)CC(C3)C2)N,0
CCCCCC=C(c1cc(Br)cc(C(=O)O)c1O)c1cc(Br)cc(C(=O)O)c1O.N,1
N#CCCN(CCO)CCO,0
Brc1cc(ccc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
OCc1ccccc1O,0
C[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3C=CC(=O)O1)C[C@H](O)[C@H]2C(=O)O,0
Nc1ccn(C2CO[C@H](CO)O2)c(=O)n1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CC(OC)COC)C(O)C[NH2+]Cc1cc(OC)ccc1,0
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O,0
S1(=O)(=O)CC(Cc2cc(CO)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
[N-]=[N+]=CC(=O)OC1CCOCC1,0
Fc1ccc(cc1-c1cccnc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1cc(C)c(OC)cc1,1
S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1,0
Clc1cc(cc(Cl)c1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,1
C(CS(=O)(=O)O)S,1
C=C[Si](C)(C)O[Si](C)(C)C=C,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OC)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
C=CCCCCCCCCC(=O)OC,0
COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O,1
O=C1N(CC[C@]12[N@H+](CCC2)CCC)[C@H](C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1)C,1
C=Cc1ccc(S(=O)(=O)[O-])cc1,0
CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O,0
CC(C)NCC(O)c1ccc(O)c(O)c1,0
COc1cc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc(Br)c1O,0
Cc1nnc2c([N+](=O)[O-])c(N)c(Cl)nn12,0
Cc1cc(S(=O)(=O)NC2=NCCN2Cc2ccccc2)c(S)cc1Cl,0
Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,0
Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1,0
O=[N+]([O-])c1ccc(Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1,0
NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,0
CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3,0
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl,1
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(OCCOC)c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)C,0
O=C(O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O,0
CC1=C(C)S(=O)(=O)CCS1(=O)=O,0
Cc1ccccc1C1CC(=O)CC(c2ccccc2C)C12C(=O)NC(=O)NC2=O,0
O=C(O)c1cc2cc([N+](=O)[O-])ccc2oc1=O,0
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(F)(F)F)ccc2)C1,1
C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,0
CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1,0
CC(C)CC(NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CN)C(C)C)C(=O)NC(CO)C(N)=O,0
CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN,0
Fc1cc(cc(F)c1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1
C[C@]12Cc3nonc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,1
CC(=O)Nc1ccc(CC(=O)O)cc1,0
COc1cc(Cl)c(OC)cc1Cl,0
CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6,0
S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,0
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,0
Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F,1
Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cccnc1)C(=O)N3CC2,0
CCOP(=O)(OCC)C(C#N)=C(C)c1ccco1,0
CCC(=NNC(=N)N)C(CC)=NNC(=N)N.O=S(=O)(O)O,0
O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1,0
S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1,0
CC(CN(C)C)CN1c2ccccc2CCc2ccccc21,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
NC(=O)NN=C1CSSC1,1
CCCCNc1ccc(C(=O)OCCN(C)C)cc1,0
COc1cc2c(c(OC)c1OC)CCC1(C)C(=O)NN=C21,0
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,0
Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,1
CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br,1
O=C(O)CC(O)C(=O)O,0
COc1cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,0
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,1
CN(C)C(=O)NC1(N(C)C)CC1,0
CCc1cccc(CC)c1NC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1,0
CC12CC3(C)CC(C)(C1)CC(C(NC(C)(C)C)C(=O)O)(C2)C3,0
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,0
C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O,1
Cc1cc(S(=O)(=O)O)c(NC(=O)C(=O)C2C=CCS2(=O)=O)cc1Cl,0
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]3C[C@H](O)[C@@]21C,0
c1ccc([Bi](c2ccccc2)c2ccccc2)cc1,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,1
Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
O=C(O)COc1ccccc1,0
O=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1cccc(O)c1,0
NCc1ccccc1,0
CCCN1C(=O)CNC(=O)c2[nH]cnc21,0
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,0
COc1ccc2c(c1)c(CC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1,0
COP(=O)(Cc1ccccc1)Cc1ccccc1,0
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O,0
CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@H]5O)N3[C@@H]1O,0
CC(=O)Oc1ccc2cc(Oc3ccc(Cl)c(Cl)c3)c(=O)oc2c1,0
CCc1cccc(CC)c1N1C(=O)C2=C(SCCCS2)C1=O,0
S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1,0
COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,0
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(Sc3ccccc3C)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,0
CNCc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1,0
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C,1
C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccsc6[n+]5C)cc4)cc3)cc2)cn2ccsc21.Cc1ccc(S(=O)(=O)O)cc1,0
Nc1ncc([N+](=O)[O-])s1,0
Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2,0
O=c1ccc(=O)c2c1c1[nH]c3ccccc3c1c1c(=O)c3ccccc3c(=O)c21,0
C1C2CC3CC1CC(C2)(C3)N,0
CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC,1
Nc1ccc(Cl)c(N)c1,0
C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN,1
[N-]=[N+]=NC1C(O)C(O)C(O)C(O)C1O,0
COc1ccc(-c2cncc(-c3ccc(OC)c(OC)c3)c2)cc1OC,0
CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-],0
CC1(C)Oc2cc3oc(=O)ccc3c3c2C2C1CCC(C)(O3)C2O,0
NCC1=NCCN1,0
CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+],1
CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1,0
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccncc1,0
COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1,0
CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,0
Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
CCCC(=O)OCCC(C)CCC=C(C)C,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C3(CC2)CC3)C)c(F)cc1,1
CC(CNC1CCCCC1)OC(=O)c1ccccc1,0
CCCCCC1C2C(=O)NC(=O)C1C(=O)NC2=O,0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1
Cc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cc(O)cc(O)c1C2=O,0
C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C.C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C,0
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,0
CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F,0
CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
O=C1c2ccc3cc(CCl)cc(O)c3c2C(=O)c2cccc(O)c21,0
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,1
N#CSc1ccc(N)c([N+](=O)[O-])c1,0
C/C=C(\C)C(=O)OCCc1ccccc1,0
C=CC(=O)OCCCCCCCC,0
CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl,1
CCCCCCCCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC,1
C(C(F)(F)F)(OC(F)F)Cl,1
CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C,0
Cc1ccc(Cl)cc1Cl,0
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,1
Cc1occc1C(=S)Nc1ccc(Cl)c(C=NOC2CCCC2)c1,1
CC1C(O1)P(=O)(O)O,1
O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,0
CCC(=O)OC(C)c1ccccc1,0
CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1,0
CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O,0
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,1
O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2n1,0
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1.NCCCCN,0
[Li+],0
CN(C)c1nc2n(CCO)ccnc-2c(=O)n1,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C,1
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,1
s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1,1
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,0
CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C,0
C[C@@H]1C[C@H]2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O,0
COc1cc2cnc3c4cc(OC)c(OC)cc4ccc3c2cc1OC,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O)C(C)C,0
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,1
COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1C(NC(C)=O)CC2,0
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-],0
COS(=O)(=O)OC,0
O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O,0
COC(=O)C(=NNc1cccc(Cl)c1)C(C(=O)C(=O)Nc1cccc(Cl)c1C)c1nc2ccccc2nc1C,0
CCCCCCCCCCCCCCCCCC(=O)O.CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,0
C=CCC1(c2ccc(OC)cc2)C=CC(=O)CC1,0
N=C(N)n1cccn1,0
NCCC1C2CC3CC(C2)CC1C3,0
O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1,0
c1ccc2c(c1)NC1c3[nH]c4ccccc4c3CCC21,0
COc1ccc(-c2c(N)cnc(C(=O)O)c2C)c(O)c1OC,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)C,1
S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C,1
O(C)c1ccc(cc1)[C@@]1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)-c1cncnc1,1
CN(C)CCNC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl,0
OC1CCN2CCC(O)C2C1O,0
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C,1
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,0
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],0
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O,1
CC(C)C(=O)C=Cc1ccc(Br)cc1,0
O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1,1
Cc1nc2c(nc1C)C(=O)C1=C(C2=O)C2C=CC1CC2,0
CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O,1
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,0
CSc1nc(O)c2cc[nH]c2n1,0
CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C\C(=O)O,0
CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C,1
COc1ccc(NC(=O)CC2SC(Nc3ccccc3C)=NC2=O)c([N+](=O)[O-])c1,0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1,0
Fc1cc(ccc1F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
OC1CCCc2ccccc21,0
O=C1c2ccccc2C(=O)N1CCn1nc(-c2ccccc2)cc(-c2ccccc2)c1=O,0
CCOC(=O)c1ccccc1OC,0
CNC,0
CCCCCCCCCOS(=O)(=O)[O-],0
Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(C)C)N,1
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl,0
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F,1
C(=O)(O)O,0
CCOP(=O)(OCC)C(C#N)=Cc1cccn1N(C)C,1
Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1,1
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,1
COc1cc2c(c(OC)c1OC)-c1oncc1CC2,1
FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)-c1cncnc1,1
Nc1ccc2c(c1)Cc1ccccc1-2,1
CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N,1
CC1(C)C2=CCCC(C)(C)[C@]23CC[C@H]1C3,0
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,1
O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1
Cc1ccc(SSc2ccc(C)cc2)cc1,0
O=C(O)CCl,0
COc1cccc2sc(N)nc12,0
CCCCOC(=O)C(=O)OCCCC,0
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOCC1)c1cc(ccc1)C(C)(C)C,1
Fc1ccc(C2SCc3nc4ccccc4n32)cc1,0
CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,0
CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(C)CC1,0
COc1ccc(-n2cnc3c(NC(CCSC)C(=O)O)ncnc32)cc1,0
Oc1cc(O)cc(O)c1,0
O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1,1
O=[Si]=O,0
N=C(N)NS(=O)(=O)c1ccc(N)cc1,0
CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,0
C1C(C1N)C2=CC=CC=C2,1
CSc1c(N(C)C)c(=O)c1=S,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(Nc2ncccc2)CC1)c1cc(ccc1)C(C)(C)C,1
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,0
COc1ccc(NC(=O)CC(=O)NN)cc1,0
CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,0
CCCCCCCCCCCCCCCCCCCCCCNc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])C(COP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)O2)c(=O)n1,1
CC(C)c1oc2ccccc2c1C(=O)c1ccc(O)cc1,0
Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1,0
Cl[Yb](Cl)Cl,0
ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,0
COC(=O)CC(C)=O,0
CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,0
CC[N+](C)(CC)CCCC(C)N1C(=O)C2CCCCC2C1=O,0
COc1ccc(N2C(=O)CSC2c2c[nH]c3ccccc23)cc1,0
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C,1
Cl.NCc1ccc(-c2ccc(CN)s2)s1,1
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,1
C=CC(N)=O,0
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,0
CCOC(=O)C1=C(Nc2cccc3ccccc23)OCC1=NNC(=O)c1ccccc1O,0
C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,1
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,0
CCc1c(Cc2cc(C)cc(C)c2)n(COCCSc2ccccc2)c(=O)[nH]c1=O,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1
CC12CCC3C(CCC4CC(OS(=O)(=O)O)CCC43C)C1CCC2CO.[NaH],0
Cc1cccc2[nH]nnc12,0
O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O,0
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F,1
ON=C1C=CC(=NO)C=C1,0
CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3,0
CCN(CC)c1ccc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc2c1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCO,1
CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1,0
CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCc1ccccc1,0
O=C1NCCCCC1CCCC#Cc1ccccc1,0
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)O)O,0
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,1
CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(C)/C=C\C=C(/C)CCC=C(C)C,0
Nc1nc(O)cc(Nc2cc(F)c(Cl)c(F)c2)n1,0
COC(=O)NCCC[Si](OC)(OC)OC,0
CNC(=O)Oc1ccccc1C(=O)Nc1ccccc1,0
Cc1ccc(S(=O)(=O)NC2C(=O)c3ccccc3C(=O)C2n2ccnc2)cc1,0
NCCC(O)(P(=O)(O)O)P(=O)(O)O,0
O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,0
CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O,1
O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1,0
CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O,1
O=S(=O)([O-])OOS(=O)(=O)[O-],0
COc1ccc(C=C2CCS(=O)(=O)c3ccc(C)cc3C2=O)cc1OC,0
Fc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1,0
CC(=O)NNc1nc(C)c(C(=O)C=Cc2cccc([N+](=O)[O-])c2)s1,1
CCOC(=O)Cc1nc(O)c2c(-c3ccccc3)c(C)sc2n1,0
CCCCN1C=CN2c3nc4cc(C)c(C)cc4n3C(C(=O)OC)=C(C(=O)OC)C12,0
CSc1nc(NC2CC2)nc(NC(C)(C)C)n1,0
CN1CCN(CCSc2nnc(-c3ccc4ccccc4c3)c3ccccc23)CC1,0
O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,0
CCCC1CCCCN1,0
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Gd+3],0
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C,0
O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1
CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,1
CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1,0
N=C(N)NCCN1CCCCCCC1,0
O=C(Cn1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1,0
Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1,0
COCCOc1cccc(S(=O)(=O)[N-]c2ncccn2)c1,0
Oc1ccccc1Cl,0
CC(C)CC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F,0
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,0
Cc1cc(C2C(=O)c3ccccc3C2=O)cc(C)c1O,0
c1ccc(N2CC3CSc4ccc5ccccc5c4C3=N2)cc1,0
CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O,1
O=C1OCCOCCOC(=O)c2cccc(n2)C(=O)OCCOCCOC(=O)c2cccc1n2,0
O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1O,0
O=C1Cc2cc(Cl)ccc2N1,0
O=C(NNCNNC(=O)c1ccncc1)c1ccncc1,0
CCOC(=O)c1nc2ccc(OC)cc2c2c1Cc1ccccc1-2,0
O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1,0
CC(=O)c1ccc2c3c(ccc([N+](=O)[O-])c13)C(=O)OC2=O,0
CC=C(C)C(=O)OC(CC(C)C1CC(c2ccoc2)OC1=O)C1(C)C(=O)CCC2OC21C,0
CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O,0
CCOC(=O)Nn1c(C)cc(C(=O)OC)c1C,0
COc1nc2[nH]c(C)cc(=O)c2c2ccccc12,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C,1
CC/C=C\CCOC(C)=O,0
n1c2c(ccc1N)cccc2,0
COC(=O)CCC(=O)CN.Cl,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ncccc2)C1,1
O=S(=O)(O)c1ccc(NN(c2c(O)ccc3ccccc23)S(=O)(=O)O)cc1,0
Cc1cc(Cl)ccc1/N=C/N(C)C,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)(F)F)=C,0
O=C1C2C=CC(n3[nH]c(=O)n(Cc4ccccc4)c3=O)CC2C(=O)N1c1ccc(Br)cc1,0
CC(C)c1ccc(NC(=O)N(C)C)cc1,0
O=C(NO)c1ccccc1,0
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@H]12)c1csc(N)n1,0
COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1,0
CCc1cc2c(cc1CCCC(=O)O)CC1(Cc3ccc(C(=O)O)cc3C1)C2,0
Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,0
O=S(=O)(O)NC1CCCCC1,0
CN(C)c1ccccc1,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC,1
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)C#CC)CC12CCC2)CC(C)(C)C,1
CCO[Si](CCCNC(N)=O)(OCC)OCC,0
CC(=O)Nc1ccc(C=CC(=O)c2sc(C(N)=S)nc2C)cc1,0
NCCc1cc[nH]n1,0
CCOc1ccc(N=Nc2ccc(N)cc2N)cc1,1
Nc1cc(S(=O)(=O)O)ccc1O,0
CC1=CC(O)CC(C)(C)C1,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)(C)C)C,1
CC#CCCN(CC#N)Cc1ccccc1,0
O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,0
COc1ccc(OC)c2c1C1CCC(=O)N1CN2C(C)=O,0
CCOC1OC(=O)C2C(c3ccccc3)=NOC12,0
Cc1nc2ccc(Cl)cc2[nH]1,0
CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O,1
O=C1OCCO1,0
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,0
CCCCCCOCCO,0
COc1cc(CC2COC(=O)C2Cc2ccc(O)c(OC)c2)ccc1O,0
s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C,1
CCOC(=O)C1=C(OC(OCC)C(C)[Se]c2ccccc2)CCC1,1
CN[C@@]1(c2ccccc2Cl)CCCCC1=O,0
CC(=O)Nc1nnc(SSc2nnc(NC(C)=O)s2)s1,1
O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C,1
O=S(=O)(SC1=NCCN1)c1ccccc1,1
C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,1
CCC1NC(N=Nc2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O,0
C=C(CC(=O)O)C(=O)O,0
CCOC(=O)c1ccccc1O,0
COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1,1
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C,1
O=C1N(C)C(=N[C@@](C1)(CCc1ccccc1)C)N,0
CO/N=C(/C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F,0
FC(Cl)(Cl)Cl,1
S1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,1
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,0
CC1=CC(=O)/C(=C(/C)[O-])C(=O)O1,0
CCC(C)C1CCCCC1=O,0
O=C(O)c1ccccc1O.OCCN(CCO)CCO,0
c1ccc2cnncc2c1,0
CC(=O)[O-].[Na+],0
CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C,0
Cc1ccc(/N=N/c2c(O)c(C(=O)[O-])cc3ccccc23)c(S(=O)(=O)[O-])c1,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,0
CC(C)c1ccc(CO)cc1,0
O=c1ccc2ccc(O)c(O)c2o1,0
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCN[C@@H](C)c3ccccc3)cs2)cs1)C(C)O)C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1,0
O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)[O-])c1,0
CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)C(O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O,1
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,0
CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1,0
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CC=C(C=C3)OC,1
CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(N)=O,0
COC(=O)CC1C(=O)OC23CCC1C2(C)CCC1C3CCC2CC(OC(C)=O)CCC21C,0
CNC(=O)O/N=C(\C)C(C)S(C)(=O)=O,0
O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1,0
CCC1(c2ccccc2)C(=O)NCNC1=O,0
Cc1cccc(C)c1NC(=O)NC1=CCCN1C,0
O=C1C(Cl)=C(c2ccc(Cl)s2)C(=O)c2ccccc21,0
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1,0
Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1,1
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(C)c(CC(=O)[O-])s3)CS[C@H]12)c1csc(N)n1,0
C(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1,0
Cc1cccc(Nc2cn(COCc3ccccc3)c(=O)[nH]c2=O)c1,0
S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
COP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1,0
CN1C(=O)CN2CCc3ccccc3C2c2cc(Cl)ccc21,0
COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O,0
COc1ccc(C=C2N=C(c3ccccc3)OC2=O)c(OCc2ccccc2)c1,0
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N,1
CC(C)(C)NC(N)=O,0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1,1
CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,0
Fc1ccc(cc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)C)c1cc(ccc1)C(C)(C)C,1
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O,0
Clc1cc2CC(N=C(NC(Cc3cscc3-c3ccncc3)C(=O)[O-])c2cc1)(C)C,0
CCOC(=O)Nc1nn(C)c(=NCc2ccccc2)s1,0
CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.O=C([O-])c1ccccc1,0
Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C,0
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,0
Cn1c2c(c3ccccc31)CCN1C(=O)CN(C(=O)C3CCCCC3)CC21,0
CC(C)CO,0
CC(=O)OCC1OC(n2c(C#N)cc(=O)[nH]c2=O)CC1OC(C)=O,0
CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O,1
COC(N)=O,0
O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,0
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,0
N#CC(=Cc1ccc[nH]1)P(=O)(O)O,0
CC(CCO)CC(C)(C)C,0
C=C(C)CN(CC(=C)C)C(=N)OCC1CCCO1,0
CC12NC(=C(C#N)C#N)C(C#N)=C3NC(N)=C(C#N)C(=C31)Oc1ccccc12,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21,0
Clc1ccc2c(c1)Nc1ccccc1S2,0
C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O,1
O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1Cl,0
CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C,0
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C,1
CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccccc3O)C(=O)C12,1
O1c2c(cc(N3CCCCC3)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
COC1=CC(=O)C(O)=C(CC2(C)C(C)CC=C3C2CCCC3(C)C)C1=O,0
CN(C)NC(=O)CCC(=O)O,0
COc1ccc(-n2cnn3c(=O)c4cn[nH]c4nc23)cc1,0
O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N,0
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O,1
COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O,1
C=COCCCCO,0
Fc1ncc(cc1)C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC\C(=N\O)\CC1)c1cc(ccc1)C(C)(C)C,1
C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H]([C@@H]2CCNC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC1=O,0
s1ccnc1-c1cc(ccc1)CC(NC(=O)CC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CC(C)NC(=O)C1=CC=C(C=C1)CNNC,1
CC(=O)C(O)N1C(=O)C=CC1=O,0
S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C,0
C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1,1
CC1C(=O)CC2OC3CC(C)(Cl)C(Br)CC31C2(C)C,0
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],0
CCSC(=O)Cl,0
C1CCCCC1,0
CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1,0
Cc1nc2c(S)nncc2[nH]1,0
Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1,0
O=c1[n-]c(=O)n(Cl)c(=O)n1Cl,0
c1ccc(Sc2ccccc2)cc1,0
CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C,1
Brc1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1,0
Clc1ccccc1,0
CCCC1CCC(=O)O1,0
Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C,1
C=C(CCCCOCOCCOC)[Si](C)(C)C,0
CCN1c2ccccc2NC(=S)c2c(-c3ccccc3)n[nH]c21,0
COc1ccc(COC(C)=O)cc1,0
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,1
S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC(C)C)ccc1)C,0
O=C(O)CC(O)(CC(=O)O)C(=O)O.Oc1cccc2cccnc12,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccccc1[N+](=O)[O-],0
CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O,1
CC(C)CC(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)CC(C)C.[O-][Cl+3]([O-])([O-])O,0
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC,1
S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC(C)C)ccc1)C,0
CCCCCCCOC(C)=O,0
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,0
CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O,1
O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1,0
CCC=Cc1cc2cc[nH]c2c2c1C(C)CC2C,0
CC(=O)Nc1ccc(O)cc1,0
Cc1nc(Cl)nc2c1C(=O)Nc1ccccc1N2,0
O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cccnc1)c1ccncc1)N,1
CCOC(=O)C(O)(NC(=O)NC(O)(C(=O)OCC)C(F)(F)F)C(F)(F)F,0
CC=CC=O,0
CCCCCCC/C=C/C=O,0
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,0
CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4,1
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1,1
CCC[N+](C)(C)CCCNC(=O)c1c(O)nc2ccccc2c1O.[Br-],0
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,0
C=CCSSCC=C,0
N#Cc1c2ccccc2cc2ccccc12,0
CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1,0
S1(=O)(=O)CC(Cc2cc(CCO)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
CC(C)COC(=O)C=Cc1ccccc1,0
CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1,0
COc1ccc(C(=O)c2ccccc2)c(O)c1,0
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)OC1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC,1
O=C1OC(C(=O)O)c2ccc3c(c21)OCO3,0
COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-],0
C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,1
CCC(Cl)[N+](=O)[O-],0
Cc1cccc(N(C)C(=S)Oc2ccc3c(c2)C2CCC3C2)c1,0
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,1
O=C1c2ccccc2CCc2ccccc21,0
CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C,1
CNC(=O)Nc1ccc(Cl)c(Cl)c1,0
Cc1cc2c(c(C(=O)NCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCC(=O)O)S2,0
CCCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)OCCC,0
CC1OC(C)OC(C)O1,0
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1C32OO4,0
CN1C(=O)CC(c2ccccc2)C1=O,0
C(CC(C(F)F)(C(=O)O)N)CN,0
CC(=O)OCCOCCOCCOC(C)=O,0
COC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0
CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#C[C@H](O)C,1
CC(=O)C1C(=O)C=C(C)OC1=O,0
CN1CCC(O)(OC(=O)C(c2ccccc2)C2(O)CCCC2)CC1,0
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,1
CC[N+](C)(C)c1cccc(O)c1,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(Cn1c(=O)cc(C)c2ccc(C)c(C)c21)OC(C)=O,0
CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C,0
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,1
O=C(O)c1cc2ccccc2nc1C(=O)O,0
CC=CC(=O)N(CC)c1ccccc1C,0
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,1
Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C,0
O=C(O)C(=O)Nc1cccc(-c2nnn[nH]2)c1,0
O=C(Nc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc(C2=NCCN2)c1)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(C4=NCCN4)cc3)cc(C3=NCCN3)c2)cc1,1
s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C,0
NC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,0
O=S1(=O)[OH+][Zn-4]23([O+]=C4NC=Nc5[n-][n+]2cc54)([O+]=C2NC=Nc4[n-][n+]3cc42)[OH+]1,0
Cc1cn(COCCS(=O)c2ccccc2)c(=O)[nH]c1=O,0
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O,0
CCCCc1ccc(N)cc1,0
FCCOc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1,0
Cc1cc(C(=O)O)ccc1[N+](=O)[O-],0
O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1,0
[Pt].c1ccc(P(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1,0
CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1
CC(C)NC(C)C,0
COC(=O)C(=O)C(C(=O)OC)C(=O)C(=O)Nc1ccccc1C(N)=O,0
Fc1ccc(Br)cc1,0
COc1cccc(C=O)c1,0
CC1CC(C)(C)S(=O)(=O)O1,0
CCCC(=O)c1cc(O)c(O)cc1O,0
O=C(O)COc1ccc(Cl)cc1,0
CC12CC[C@H]3C([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1,1
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1,1
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,0
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,0
CCOc1cc(OCC)c(C(C)=O)cc1OCC,0
C=C1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O,1
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O,1
CC(=O)Nc1ccc(/C=N/NC(N)=S)cc1,1
COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC,0
COC(=O)c1cc2c(o1)Sc1ccccc1NC2=O,0
CC(NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(N)CCCCN)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(N)=O,0
COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,0
C=C[Si](OCC)(OCC)OCC,0
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(N)(=O)=O)cc21,0
CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,0
CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,1
CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-].[Zn+2],0
Cl.O=C1OC(CCCl)(c2ccccc2)CC1CN1CCOCC1,0
COc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1OC,0
S(CC[C@H](NC(=O)CCC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C,0
CC1=NC(=Cc2cc(Br)cc(Br)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,0
CCCCCCCCCCCC(=O)N(CCO)CCO,0
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2F)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1,0
COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O.CS(=O)(=O)O,0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]C(CC)C)Cc1ccccc1)C,1
O1CC[C@@H](NC(=O)[C@@H](Cc2cc3cc(ccc3nc2N)-c2ccccc2C)C)CC1(C)C,1
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,0
Oc1ccc([Hg]Cl)cc1,0
COP(=O)(C=Cc1cc(C(=O)OCc2ccccc2)n(S(=O)(=O)c2ccccc2)c1)OC,1
S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
CCCCN=C(c1ccccc1)N1CCOCC1,0
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,0
OCC1CCC(n2cnc3c(O)nncc32)O1,0
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl,1
O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2,1
CCCCC/C=C\CCC=O,0
C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O,0
NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1,1
COc1cc2c(cc1OC)C(C(CO)CO)N(CC(O)CCl)CC2,0
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,0
COC(=O)C(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)OC,0
Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-],0
NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1,0
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F,1
O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C,1
O=c1nc2ccc3sc4ccccc4c(=O)c3n2c(=O)[nH]1,0
[O-][n+]1cc[n+]([O-])c2ccccc21,0
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1
CCN(CC)C1CCCCC1,0
CCC[C@@H](C(=O)OCC)N[C@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,1
CC(O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3],0
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C,1
s1ccnc1-c1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c1F,1
COc1cc(C=O)ccc1OC(=O)C(C)C,0
COc1cccc(C=CC(=O)c2ccccc2)c1,0
Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1,0
Cc1nc2c(=O)n3c4c(cccc4c2o1)CCC3,0
CCCC(C)C1(CC)C(=O)N=C(O)NC1=O,0
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,0
Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)c1,0
C=C1N=CNc2c1ncn2C1OC(COC(=O)CCCCCCCCC(=O)OCC2OC(n3cnc4c(O)ncnc43)C(O)C2O)C(O)C1O,0
N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,1
CNC(=S)NC,0
NC(=O)c1ccccc1[N+](=O)[O-],0
C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F,1
Cc1ccccc1,0
Fc1ccc(cc1OC)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CC(C)(Cl)Cl,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1,1
Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,0
Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N,0
CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,0
Clc1ccc(nc1)C(=O)Nc1cc(C23N=C(N)COCC2C3)c(F)cc1,1
CC1(C)C(=O)NC(=O)c2ccccc21,0
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,0
CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cc6ccccc6nc5NC4(C)CCC32)C1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C#N)(C)C,0
O=C(O)C=Cc1ccc(O)c(O)c1,1
CCn1nc(C)c2c1C(=O)NCC(c1ccc(O)cc1)=N2,0
CN1C(=O)CC[C@H]1c1cccnc1,0
O[C@@H]1[C@H](O)CN2CCC[C@@H](O)[C@H]12,0
CCCCCC[N+]1(C)CC2C3C=CC(C3)C2C1,0
CC(C)C[C@@H](N)C(=O)O,0
C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,1
COc1cc(Br)c(C=Nc2cccc3cc(OC)c(OC)cc23)cc1OC,0
Clc1cnc(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1,1
O=S1(=O)OCCOS(=O)(=O)C1Br,0
CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2,0
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO,1
COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC.Cl,0
COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1,0
Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,0
COC(=O)C(O[Ge](C)(C)C)c1ccccc1,0
[O-]c1cc(Cl)c(Cl)cc1Cl,0
CC(=O)NC(CS)C(=O)O,0
CCC1(C)NC(=O)NC1=O,0
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C,1
O=[N+]([O-])c1cccc(SSc2cccc([N+](=O)[O-])c2)c1,0
Cc1c(NC(=S)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0
CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)O)co1,0
ClCCCCCc1c2ccc(n2)c(CCCCCCl)c2ccc([nH]2)c(CCCCCCl)c2ccc(n2)c(CCCCCCl)c2ccc1[nH]2,0
Cc1cccc(C)c1NC(=O)C(C)N,0
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12,0
CC1=NC=C(N1CCO)[N+](=O)[O-],1
CN(C)C(=O)Nc1ccccc1,0
CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,0
CC1C2CC(CC2C2CCCC(O)C2)C1(C)C,0
CCOC(=O)c1c2cccccc-2nc1Nc1cccc2c(C)ccnc12,0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1
C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(N=C2N)F,1
C=C(C)C1CCC(C)(O)CC1,0
COc1cc(C=O)ccc1O,0
CN(C)CCc1c[nH]c2ccccc12,0
COC(=O)c1cncn1C(C)c1ccccc1,0
COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC,0
CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1c1ccc(Cl)cc1Cl,0
COc1cc2c(cc1OC)C(CNC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C2,0
CCCC(C)=O,0
COc1cc2c(cc1OC)C1CC(=O)C3=C(CCCC3)N1CC2,0
CCCCCCCCSCCO,0
CN(C)Cc1ccccc1O,0
COc1c2occc2c(OC)c2c(=O)c(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)coc12,0
c1ccc(C[N+]23CCC(CC2)C3c2ccccc2)cc1,0
O=C(Nc1cc2c(oc1=O)CCCCCC2)c1ccccc1,0
CCCCOC(=O)CC,0
CN1C(=O)C23CCCN2C(=O)C1(C)SC(=N)S3,0
COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC34C=CC1C24,0
COc1ccc(NC(=O)Oc2cc(C)c3ccc(=O)cc-3o2)c(OC)c1.COc1ccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1,0
s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CC(C)(O)c1ccccc1,0
[NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)C[C@@H](C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,1
OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C,1
Oc1ccc(Sc2ccc(O)cc2)cc1,0
C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O,1
CN1C(=O)CC(C)(c2ccccc2)C1=O,0
CCCCC(CC)CNCC(CC)CCCC,0
CSc1nc2c(=O)oc(-c3ccccc3)nc2s1,0
CC(=O)OCCc1ccccc1,0
C=CC(C)CCC=C(C)C,0
CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O,0
O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O,0
Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1,0
CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl,1
CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,0
C(OC(C(F)(F)F)C(F)(F)F)F,1
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C,1
CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,1
COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC,0
Oc1ccccc1O,0
Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1
O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O,0
COC1C(OC(=O)C=CC=CC=CC=CC(=O)O)CCC2(CO2)C1C1(C)OC1CC=C(C)C,1
Clc1cc(N(S(=O)(=O)C)c2cc(ccc2)C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C(=O)NC2CCCCC2)C)cc(Cl)c1,1
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2c[nH]c(C(=O)O)c2)cc1,0
CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1,0
Fc1ccc(cc1C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O,0
[H+].[H+].CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],1
O=[N+]([O-])c1cc(I)cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c1O,0
Cl/C(=C\n1cncn1)c1ccc(Cl)cc1Cl,0
CCCC(=O)C(C)=O,0
C1=CCC([Ti+2]C2=CC=CC2)=C1,0
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,1
CC1=CCC(C(C)C)=CC1,0
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,0
CC(Cl)Cl,0
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,0
CCOC(=O)CCCCCCCCC(=O)OCC,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N,0
Clc1ccc2cc3ccccc3cc2c1,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC,1
CCC(C)(C)OC,0
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,1
CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21,0
CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5,1
Cc1cc(Cl)ccc1OC(C)C(=O)O,0
Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N,0
CCCCC(=O)N1C(=O)C(=CN(C)C)c2cc(C=O)ccc21,0
Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C,0
O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2,0
CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F,1
Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1,0
CC(C)C(=O)OCC1OC(n2c(Br)nc3c(O)nc(N)nc32)C(OC(=O)C(C)C)C1OC(=O)C(C)C,0
CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,1
S1(=O)(=O)CC(Cc2cc(OCC(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
O=C1OC2(c3cc(Br)c(O)c(Br)c3Oc3c2cc(Br)c(O)c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,0
NN=C1C(=Cc2ccccc2)CCCC1=Cc1ccccc1,0
S(=O)(=O)(N(c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c1C)c1ccccc1)C,1
Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(OCC2)N)C)c(F)cc1,1
CN(C)CCN(Cc1cccs1)c1ccccn1,0
O=C(O)c1ccccc1S,0
Cc1nc2cc(N=Nc3c(O)ccc4ccccc34)ccc2[nH]1,0
CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C,1
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCF)Cc1ccccc1)C,1
CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C23CCCCCCCCCCC12C(C(=O)OC(C)(C)C)C(=O)C3C(=O)OC(C)(C)C,0
CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,0
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-],1
c1ccc(CCCc2ccccn2)cc1,0
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,0
OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,0
O=C1CCCCCCCCCCCCCCCO1,0
NCCCC(N)(C(=O)O)C(F)F,0
COC(=O)CC1C(COC(C)=O)OC(n2ccc(=O)[nH]c2=O)C1OC(C)=O,0
COCCOCCO,0
c1ccc2c(c1)[nH]c1ccccc12,0
O=C(ON=c1c2ccccc2ccc2ccccc12)c1ccccc1,0
Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,0
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2ncn(c2c1)CC)Cc1ccccc1,1
C(COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCCO)OCCO)OCCO)OCCO)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1
O=C(O)c1ccc(CO)o1,0
CCCCC(CC)COC(=O)c1ccccc1,0
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F,0
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,0
O1c2c(cc(cc2)-c2ccc(OC)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
Cc1ccc(C=C2C(=O)C3CCC2C3(C)C)cc1,0
O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(Cl)c(Cl)c1,0
CCn1c(=O)c2c3cc(OC(C)=O)ccc3oc2c2ccc(OC(C)=O)cc21,0
O=C1C2=C(NC(c3ccccc3)C(c3ccccc3)N2)C(=O)c2ccccc21,0
COC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1,1
COC(=O)C(C1CCCCN1)C2=CC=CC=C2,1
CCN(CC)CCOC(=O)c1cc2ccccc2[nH]1.Cl,0
OC(c1ccccn1)c1c(Cl)cccc1Cl,0
CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O,0
N#CC1(C#N)C(C#N)(C#N)C12CCCCCC2,0
O=C(Cc1ccccc1)OCc1ccccc1,0
CON=C1CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F,1
Cn1nnc2c(C(N)=O)ncn2c1=O,0
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,0
C[Si](C)=O,0
CSCCCNC(=O)c1csc(C(CSC)NC(=O)CCNC(=O)C(NC(=O)OCC(Br)(Br)Br)C(C)O)n1,0
COC(=O)C1=NC(=S)N=C(C(=O)OC)C12Cc1ccccc1C2=O,0
COc1ccc2c(c1)C1c3ccccc3CCN1CCC2,0
s1ccnc1-c1cc(ccc1)CC(NC(=O)C(OC)OC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,0
Cc1cccnc1,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)(C)C)N,1
Clc1ccc(C(Cl)(Cl)Cl)c(Cl)c1,0
COC(=O)N1C2C(CC1(C)C(=O)OC)c1ccccc1N2S(=O)(=O)c1ccccc1,0
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2nccn2C)CC12CCC2)CC(C)(C)C,1
O1CCCCNc2cc(cc(c2)C(=O)N[C@@H](Cc2cc1ccc2)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC,1
Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1,0
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC,1
CC(O)CCO,0
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1,0
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,0
P#[In],0
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2,0
Br.N=C(NN)SCc1ccc(N=C=S)cc1,0
O=C(COc1ccc(Cl)cc1)OCCNC12CC3CC(CC(C3)C1)C2,0
Oc1cc2ccccc2c2ccccc12,0
O=CN1CCCCC1,0
CCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2n1,0
CC1=NN(c2ccccc2)C(=O)C1,0
CCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C,1
COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)ccc1O,0
CCc1ccc(C=O)cc1,0
CC(Cl)C(=O)O,0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Cl,0
O=C1OCC(C(=O)c2cccc(O)c2)C1=O,0
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)[O-])C(=O)N2[C@H]1C(=O)[O-],0
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,1
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,1
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO,1
Cc1cc(S(=O)(=O)Nc2nnc3cnc4ccccc4n23)c(S)cc1Cl,1
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O.CNC[C@@H](C1=CC(=CC=C1)O)O.Cl,0
S1(=O)(=O)CC(Cc2cc(OCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCC,1
FC(F)Oc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
COC(=O)/C=C(\C)OP(=O)(OC)OC,0
Cc1cn(C2CC([N+]([O-])=NNc3ccc([N+](=O)[O-])cc3)C(CO)O2)c(=O)[nH]c1=O,0
S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)CNc1ccc(OC)cc1,1
C=CCN=C=S,0
Cc1cc2[nH]c3nc(=N)nc(NS(=O)(=O)c4cc(C)c(Cl)cc4S)n3c2cc1C,1
COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4,0
CCN(CC)[Se]c1ccccc1,0
C1=CCC(c2ccccc2)CC1,0
O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(nc2)C)ccc1)N)C,0
CO[PH](=O)OC,0
CC(CC1c2ccccc2CCc2ccccc21)CN(C)C,0
Cc1cc(C2CC2)nc(Nc2ccccc2)n1,0
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,1
S1(=O)(=O)N(CCCC1)c1cc(ccc1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1,1
NCC(=O)CCC(=O)O,0
C1=CC(=CN=C1)C(=O)[O-],1
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)(C)C,1
CCOC(=O)C12CC(C=COC)(O[Si](C)(C)C)C13c1cc(OC)c(OC)cc1CCN3C(=O)C2O,0
CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,0
Clc1cc(sc1C1(NC(=[NH2+])N(C)C(=O)C1)C)-c1cc(cnc1)C#CC,1
Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1,1
CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N,1
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,1
O=S1(=O)CCC2=CC(C(F)(F)F)=CC(C(F)(F)F)=CN21,0
C1=C(c2cnc3ccccc3n2)[SH+][Ni-2]2([SH+]1)[PH](c1ccccc1)(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1,0
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I,0
Cl.Clc1ccc(CCn2cncn2)c(Cl)c1,0
CCC(=O)O.CCC(=O)O.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,0
CC(OC(C)(C)C)C(NC(=O)C(N)CCCCNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)O,0
CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CN4CCOCC4,1
NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,0
O=C(Nc1nc(O)c2c(ncn2CCI)n1)c1ccccc1,0
O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O,0
CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(O)C1O,0
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2c1=O,0
CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31,1
CNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,0
CCN(CC)Cc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3,0
Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,0
CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,0
CC(=O)C(=Cc1ccco1)C(=O)Nc1ccccc1,0
COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,0
CC1=C(O)C(=O)CO1,0
C=CC(C)(CCC=C(C)C)OC=O,0
O=[N+]([O-])c1ccc(CSCc2ccc([N+](=O)[O-])cc2)cc1,0
C[n+]1ccccc1.O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)O)ccc3O)cc2)cc1)c1cc(S(=O)(=O)O)ccc1O.[Cl-].[NaH],1
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2],1
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CSC#N)C2,0
CC1(C)OC2C(COCc3ccccc3)=CC(n3ccc(=O)[nH]c3=O)C2O1,0
O1Cc2cc(cc(c2)C(=O)N[C@H](CCc2cc(C[C@]([NH3+])(C)C1=O)ccc2)c1ccccc1)-c1ccccc1C#N,1
Nc1ccccc1C(=O)O,0
CN1C(=O)N2C=NC(=C2N=N1)C(=O)N,1
Cc1cc(SC2=C(O)C[C@@](CCc3ccc(N)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO,0
c1ccc(OCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)C(F)F)cc2)ccc1F)N,1
Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1,0
Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1,0
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)cc2)ccc1F)N,1
CC1=C(O)C(=O)OC1C,0
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1,0
O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2,0
Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCC2)N)c1ccc(OC(F)(F)F)cc1,1
Nc1ncnc2[nH]cnc12,0
CC(C)COC(=O)c1ccccc1,0
CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,1
Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,1
C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C,0
C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],0
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,0
OC(c1ccccc1)(c1cccnc1)C(O)(c1ccccc1)c1cccnc1,0
CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(O)c4c(=O)c1c23,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C,1
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,0
Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(OC)cc1)C,1
O=P([O-])([O-])OC(CO)CO,0
CCC(C)c1nccnc1OC,0
CCCCCCNCCCCCC,0
Cc1ccc(Cl)c(O)c1,0
CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC,0
O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1)N,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,0
S=C1c2ccc(Cl)cc2-n2cnnc2C2CSCN12,0
CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1C(=O)OC,0
CC(O)(P(=O)(O)O)P(=O)(O)O,0
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,0
CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,1
CCOC(=O)N(C)N=O,0
CC(=O)OC/C=C(/C)CCC=C(C)C,0
Cc1ccc(N)nc1,0
CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1,0
CC1=CC[C@H](CC=O)C1(C)C,0
COP(=O)(OC)OC,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCOC,1
Fc1c(cccc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,0
Cc1nc(=O)n2c(C)n[nH]c2c1C(=O)Nc1cc(Cl)cc(Cl)c1,0
O=c1c(SCc2ccccc2)c(N2CCOCC2)cnn1-c1ccccc1,0
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],0
Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1ccn2CCC(=O)O,0
CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.O=C([O-])CCC(=O)O,0
O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
Cc1cccc(C)c1NC(=O)CN1CCCC1,0
CC12CC3CC(C1)(CC(C3)(C2)N)C,1
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O,0
CC(=NNS(=O)(=O)c1ccc(C)cc1)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,0
Cc1cccc(N)c1,0
NC(=O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0
CCN(N=O)C(N)=O,0
CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl,1
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43,1
COc1ccc2cc(C=O)ccc2c1,0
CC1(Nc2ccccc2)OC(=O)c2ccccc21,0
COC(=O)C1=C(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CCC1,0
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@H](OC)[C@@H]1OC,0
O=c1[nH]c(=O)n(COCCO)c2ccsc12,0
COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC.COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC,0
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,0
CCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0
C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC,1
Fc1ccc(NC(=O)C(CC([NH3+])C(NC(=O)c2cc(ccc2)C(=O)N(CCC)CCC)Cc2ccccc2)C)cc1,1
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#C)ccc1F)N,1
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C,1
[O-2].[O-2].[O-2].[As+3].[As+3],1
O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)C(N1CCC(NC(=O)C)(CC2CC2)C1=O)CCc1ccccc1)Cc1ccccc1,1
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,0
NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,0
CCOC(=O)CC1(c2cccc3ccccc23)OC(=O)c2ccccc21,0
OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2,1
CCOC(=O)N1C=CN(C1=S)C,1
COc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)CC(c1ccccc1)N2,0
Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1,1
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1,1
CC(C)=CCOc1cc(NC(=S)c2ccsc2C)ccc1Cl,1
CC1(C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])C2O1,0
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,0
N#CCc1ccccc1,0
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,1
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C,0
Cc1ccc2cccnc2c1,0
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,1
CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C,1
Cc1ccc(Cl)cc1N,0
O=C(Cl)c1c(Cl)cccc1Cl,0
O=c1c(I)c[nH]cc1I,0
CCC=CC#N,0
CC1(C)OC(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,0
CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1,0
CC(C)CCCC(C)C1CCC2C3CCC4N=C5NOC=C5CC4(C)C3CCC12C,0
COCC#CC1(O)CCCCC1CC(OC)OC,0
COC(=O)c1ccccc1OC,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2ccc(F)cc2)C1,1
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO,0
CCN(O)CC,0
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1,0
CC(=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C,0
O=S(=O)(O)c1ccc(Cl)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nnn(c1)CC(C)(C)C,0
CCc1ncnc2cc(OC)c(OC)cc12,0
CSc1nc2c(c(O)c(C)c(=O)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C,0
CC1=CCC2C(C1)C2(C)C,0
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1
CC(C)C[C@@H]1[C@H](c2ccccc2)OC(=O)N1CCCN1CCCCCC1,0
CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C,1
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F,1
CN(C)N=O,0
CC(=NNc1ccc2ccccc2n1)c1ccccn1,0
C[C@@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,1
C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,0
CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F,0
CC(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N,1
FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)C#COCCCF)c1ccc(OC(F)F)cc1,1
O=C1N[C@@H](C[C@@H](CCCCCCCCC(=O)N(C)[C@H]1C)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C,1
CCNC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1C=C[C@H](CCC2=CC=CC=C2)O)O)O,0
CCc1c(Cc2cc(C)cc(C)c2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,1
Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O,0
Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,0
O=C1O[C@H]([C@H](O)CO)C([O-])=C1O,0
NCCNCCNCCN,0
Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,0
CC(=O)OC1CCC(C(C)(C)C)CC1,0
CCCBr,0
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,0
COC1CCC(OS(C)(=O)=O)C(C)O1,0
CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O,1
Cl/C=C\Cl,0
CCOC(=O)Cc1nc2sc(S(N)(=O)=O)nn2c1Br,0
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C,1
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1,0
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1,0
CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1,0
Cn1c(=O)[nH]c2c([nH]c(=O)c(=O)n2C)c1=O,0
CCOC(=O)C(=Cc1cn(C(C)=O)c2ccccc12)P(C)(=O)OCC,0
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O,0
CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)C#C)CC12CCC2)CC(C)(C)C,1
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,1
COc1ccc(S(=O)(=O)c2nnc(S(=O)(=O)Cc3ccccc3)s2)cc1,0
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1,0
O=C(O)CN(CC(=O)O)CC1=CC2C(=CC1=O)Oc1cc(O)c(CN(CC(=O)O)CC(=O)O)cc1C21OC(=O)c2ccccc21,0
S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C,1
CC1=C(C(=O)NNC(=O)C[N+](C)(C)C)CC(C(=O)NNC(=O)C[N+](C)(C)C)=C(C)N1.[ClH2+],0
O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C)COC,1
C1CC(OC1CO)N2C=NC3=C2NC=NC3=O,1
Cc1ccc(C(C)OC(=O)C2(C)CCC(C(=O)O)C2(C)C)cc1.OCCNCCO,0
CCN(CC)c1ccc(N=C2C=CC(=C(C#N)C#N)c3ccccc32)c(C)c1,0
CCOP(=O)(Cl)Cl,0
CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O,1
c1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1,0
CCCCCCCCC=O,0
s1ccnc1-c1ccc(cc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CF)C(=O)NC(C)c1ccc(F)cc1)C,0
CCOC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2,1
CN1C2c3ccccc3C3C4c5ccccc5C(C31)C(C2[N+](=O)[O-])N4C,0
CC(=O)/C=C/C1C(C)=CCCC1(C)C,0
C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O,1
O=C(Cl)C(Cl)(Cl)Cl,0
CCCCCCCCCCCCCCCCOP(=O)(O)OCC(NC(C)=O)C(=O)O.N,0
CCCCCC=C(c1cc(Br)cc(C(=O)O)c1OC)c1cc(Br)cc(C(=O)O)c1OC.N,1
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O,1
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1,1
C1C2CNCC1C3=CC4=NC=CN=C4C=C23,1
O=C(O)c1ccc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,1
CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O,1
CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],1
O=C1NC(=O)c2ccccc12,1
OC1(c2ccc(-c3ccccc3)cc2)c2ccccc2C2=NCCN21,0
COc1cc2c(c(OC)c1OC)C1CCCCC1SCC2O,0
O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,0
CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCCC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)C3C[C@@H]12,0
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,0
CC1(C)OC(COCCOCCCCCO)C(COCCOCCCCCO)O1,0
CC1(C)OC(=O)NC1=O,0
Nc1ncnc2c1ncn2C1CCCCC(O)C1,0
CCCCNC(N)=O,0
S1(=O)(=O)CC(Cc2cc(OCCF)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
C=Cc1ccc(C(C)(C)C)cc1,0
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,1
COC(=O)c1ccc(NC(C)=O)cc1OC,0
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1,0
CC1C(=NO)CC(c2ccccc2)N(N=O)C1c1ccccc1,0
Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2ccccc12.[NaH],1
O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1,0
N=C(N)NCCS(=O)(=O)O,0
Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1
CCC1(CC)C(=O)NN(C(=O)c2ccccc2)C1=O,0
ClCc1ccccc1Cl,0
CCC[C@@H](C(=O)OCC)N[C@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N,1
CC(C)=CCCC(C)=CCN1Cc2cccc3[nH]c(=S)n(c23)CC1C,0
CC(C(=O)NCC(=O)O)S,1
CC(C)NCC(C1=CC(=C(C=C1)O)O)O,0
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,1
Cc1ccc(N2C(=O)C(=C3Sc4c(nc(C)n(C)c4=O)N3c3ccccc3)SC2=S)cc1,0
C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,1
Nc1nc(O)c2ncn(CCN(CCCl)CCCl)c2n1,0
CNC(=S)NNC1=NCCCN1.I,0
CN(C)CCCN(C)C,0
O(C)c1ccc(cc1)C1(N=C(n2nc(cc12)C)N)c1cc(ccc1)-c1cncnc1,0
O1C2COCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1,0
O=C1OC(=O)C2=C1CCc1ccccc12,0
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C,0
CCOC(=O)C(Br)c1ccccc1,0
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,1
CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1,0
CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12,0
[TlH2+],0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1
CCCC(C)C(O)CC,0
BrCc1ccccc1,0
CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1,0
S(=O)(=O)(CC)c1cc(cc(N(S(=O)(=O)C)c2ccccc2)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F,1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0
COc1cccc(CC2C(=O)NC(=O)NC2=O)c1,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,1
CCOP(=O)(OCC)C(=CNC(=S)c1cccnc1)C(=O)OC,0
S1(=O)(=O)N(c2c3n(cc(c3c(cc2)C(=O)NC(C(O)CC(OC)COCc2ccc(OC)cc2)COc2cc(F)cc(F)c2)CC)CC1)C,0
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cc(ccc1)C,0
CCOC(CN(C)C(=O)OCC(Cl)(Cl)Cl)OCC,0
CCCCC([C@]1(CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)O)(F)F,0
CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,1
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C,1
CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5,1
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,1
Cc1cc2c(c(O)n1)C(=O)OC2,0
CCOC(=O)CCC(NC(=O)c1ccc(NC(OC)c2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC,0
CCCC1CCC(=O)CC1,0
CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12,0
[Gd],0
O=NN1CCCCCCC1,0
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,1
CCCCCCCCCCCCCCCCCCOCCO,0
COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1,0
COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl,0
CO[C@H]1CC(O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)[O-])[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,0
CCCCCCC(N)(CCCCCC)C(=O)Nn1c(C)ccc1C,0
CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C,1
CCNc1ccccc1,0
Cc1nn(-c2ncc(C(=O)O)c(O)n2)c(O)c1CCO,0
CC(CS)C(=O)N1CCCC1C(=O)O,1
CCOC(=O)CCc1ccccc1,0
CC(C)C1=NC(=NC(=C1C=C[C@@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,1
CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21,0
O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)CO,0
CC1CN=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=NCC(C)CN5)cc4)cc3)cc2)NC1,0
CCCCC/C=C/C=C/C=O,0
O(C)c1cc(ccc1)C([NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1)(C)C,0
CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,0
C=CC1(C)CCC2=C(CCC3C(C)(C(=O)OC)CCCC23C)C1=O,0
CCOc1cc(OP(=S)(OC)OC)nc(CC)n1,0
Cc1ccc([N+](=O)[O-])c2c1O[Hg]2,0
S(=O)(=O)(N(c1ccccc1)c1cc(cnc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,1
CCCCCCCCCCCCCCCCCCn1[se]c2ccccc2c1=O,0
CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1,1
CC(C)OP(=O)(OC(C)C)C(C#N)=Cc1ccco1,0
BrCCOc1ccccc1,0
S(=O)(=O)(C)c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1C[C@H](O)[C@H](O)C1)c1cc2cc(Cl)ccc2[nH]1,0
CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2)c(OC(C)=O)c1,0
N#CC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1,0
C=CC(=O)NCOCC(C)C,0
CCc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1,0
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C,1
Cn1c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n2c1=O,0
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,0
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,1
Oc1c(Cl)ccc(Cl)c1Cl,0
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(OC(C)=O)C(COP(=O)(O)OCC3CCC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)O3)O2)cc1F,1
s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,1
CC(=O)C(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C,0
N#CCCn1c(CCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]c1=S,0
CC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0
CN1CCC[C@H]1c1cccnc1,0
CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F,1
s1ccnc1NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C,1
O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC,1
CCN1C=CN(C)C1C,0
Cc1c(O)c(=O)ccn1C,0
O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,1
O=C(C=CCC(O)(c1ccccc1)c1ccccc1)Nc1ccccc1Cl,0
CC1=CN(C(=O)C=C1)C2=CC=CC=C2,1
Nc1nc(Cl)c(C=NO)c(NCC2(CO)CC(=O)C2)n1,0
O=C(c1ccccc1)c1ccccc1,1
CCOC(=O)c1cc(C2(O)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1,0
C=CCCCCCCCCCCCCCCCC,0
NNC(=O)CC(=O)Nc1ccccc1Cl,0
C[C@]12CCC3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C,0
CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1,0
S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1,0
O=C1C(O)=C(C(CCc2ccccc2)C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21,0
Cc1cc(Br)ccc1NC(=O)CCl,0
CNNCc1ccc(C(=O)NC(C)C)cc1,0
C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,1
CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1,0
O=c1c2ccccc2oc2cc3c(c(O)c12)CCCC3,0
CC(C)NCC(O)COc1cccc2[nH]ccc12,0
Clc1cc2CC([NH+]=C(N[C@@H](C[C@H]3[C@H](SC=C3c3cn[nH]c3)CCC)C(=O)[O-])c2cc1)(C)C,1
CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,0
O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCCc3cc(C2)ccc3)CC12CCC2,1
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1
CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21,0
O=C(NC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cc(ccc1)C(=O)[O-])c1nnn[n-]1,0
Cc1cccc(NC(=S)N(C)C)c1,0
c1ccc(Nc2cccc3ccccc23)cc1,0
CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1,0
CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,1
s1cc(nc1)-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,0
CCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(N=[N+]=[N-])C(CO)O2)cc1C,0
O=NN=c1o[n-][n+](CCc2ccccc2)c1Cc1c(=NN=O)o[n-][n+]1CCc1ccccc1,0
Cc1ccc2cc(C)ccc2c1,0
COC(=O)C1(Cc2ccccc2)N=C(c2ccccc2)OO1,0
O=C(CBr)c1ccccc1,0
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O,1
O=S(=O)(O)c1ccc(O)cc1,0
CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@@H]4CCOC4,1
CCOC(=O)NNP(=O)(NNC(=O)OCC)c1ccccc1,0
O=C(Cc1ccccc1)OCCc1ccccc1,0
O=C1CCC(=O)c2sccc2N1,0
N#CC(c1ccccc1)N(CCCCCCN(C(=O)c1ccccc1)C(C#N)c1ccccc1)C(=O)c1ccccc1,0
NC(=O)ON=Cc1ccccn1,0
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1,0
Cc1cc(O)ccc1O,0
O=C(O)CC(Cl)C(=O)O,0
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,0
C(O)(P(=O)(O)O)P(=O)(O)O,0
NC(=O)c1cn(Cc2c(F)cccc2F)nn1,0
CCCCCCCO,0
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,1
C=C(C)C(=O)OCCCC,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)C3C2C1,0
Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1,0
CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1,0
CCN(CC)C(=O)C(C)=O,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)C,1
Cc1cc2c(nn1)-c1ccccc1C2=O,0
C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N,0
C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N,1
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3,1
COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,0
Oc1nc(Nc2nc3ccccc3[nH]2)nc(O)c1Cc1ccccc1,0
Nc1ccc(F)cc1,0
CCOC(=O)CC(=O)CSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1,0
n1cc(ccc1)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1,0
CC1(C)C2CCC1(C)C(Cl)([N+](=O)[O-])C2,0
C=C1C2CC3CCC2C(OC(=O)c2ccccc2C(=O)O)C13,0
CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O,1
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,0
O=[N+]([O-])c1cncn1CCN1CCOCC1,0
Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C,0
Cc1c(OCCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2C)ccc2c(=O)cc(-c3ccccc3)oc12,0
CC1(CO)CCCC2(C)C1CCC1CC3C=CC12C1C(=O)OC(=O)C31,0
COC(=O)c1ccc(C(=O)OC)c2nc3cc(Cl)ccc3nc12,0
Cl.O=C(NCCCCCN1CCC2(CCCCC2)CC1)C(C1CCCCC1)C1CCCCC1,0
O=C(O)Cn1ccc(=O)c2ccc([N+](=O)[O-])cc21.[NaH],0
Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1,1
CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,0
COC(=O)c1ccc(Nc2nc(O)c3nc[nH]c3n2)cc1,0
COCC1OCCN1C,0
CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C,0
C=C(C)CNCC,0
S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
S(=O)(=O)(N(c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1
Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1,1
O=C(O)c1cc(Cl)cc(Cl)c1O,0
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,0
CCOCCOCCOCCO,0
CCCCCC/C=C/C(=O)OC,0
COC(=O)C(=O)OC1(C(C)=O)CC2(c3ccccc3)OC1(c1ccccc1)c1ccccc12,0
CCCCN(CCCC=COC)C(C#N)c1ccccc1,0
CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1,0
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,0
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O,0
O=[N+]([O-])c1cccc2c(N3CC3)cnnc12,0
N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O,0
S1(=O)(=O)CC(Cc2cc(CC)c(NC(=O)C)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
Nc1nc(O)c2ncn(C3COC(CO)O3)c2n1,1
CC1=C(N=CN1)CSCCNC(=NC)NC#N,1
BrCC(Br)C1CCC(Br)C(Br)C1,1
Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(-c2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1,1
C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O,1
CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1C(=O)OCc1ccccc1,0
O=C1C2C(C(=O)N1c1ccccc1)C1(c3ccccc3)SC2(c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c21,0
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C,1
O=C1c2ccccc2-c2nc(-c3ccccc3)cc3c2c1nc1ccccc13,0
CCCCCC[N+](=O)[O-],0
C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Na+].[Au+],1
O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1,0
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,1
N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1,0
CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1,0
[Na+].[I-],0
CCCc1ccc(O)cc1,0
C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N.C(C(CO)(CO)N)O,0
O=C(O)CS,0
NC(=O)CSc1c2cc(O)ccc2nc2ccc(O)cc12,0
CC(=O)N(CN1C(=O)CCC1C(=O)O)c1cccc(O)c1,0
COC1CC(CC(C)O)CN(C#N)CCc2c1[nH]c1ccccc21,0
N#CC(=Cc1ccc(O)c(O)c1)C(N)=O,0
s1c2OC(C[C@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc3ccccc3)c2cc1CC(C)(C)C)(C)C,1
CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N2CCOCC2)C(O)C(C)O1,0
CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1,1
Clc1cc(cc(Cl)c1N)CN\C(=N/C(=O)c1c(nsc1C)-c1ccc(OC)cc1)\N,1
COC1OC(=O)C(OC)C(OC)C1OC,0
N=C1N=C2OC3C(O)C(CO)OC3N2CN1,0
CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2,0
O=C1CCC(=O)N1Cl,0
CN(C)C(=N)N=C(N)N,1
Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl,0
FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O,1
CC=C(C)C(=O)c1c(O)cc(O)c2ccc(=O)oc12,0
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O,0
COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5,0
O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc12,0
CC(CCC(=O)O)(c1ccc(O)c(CN(c2ccccc2)c2ccccc2)c1)c1ccc(O)c(CN(c2ccccc2)c2ccccc2)c1,0
Cc1ccc(S(=O)(=O)SCCCSS(=O)(=O)c2ccc(C)cc2)cc1,0
C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCC1,0
COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)Br,1
O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CCC)CCC)cccc2)Cc1ccccc1,0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,1
OCCNCc1ccccc1,0
C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,1
Cc1nc(-c2ccc([N+](=O)[O-])cc2)cn2c1nc1ccccc12,1
CN(C)C(=O)c1nnsc1NN=O,0
CC(=Cc1ccc(F)cc1)C(=O)O,0
C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4,1
C[C@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O,1
Cl.O=C(NCCCCN1CC2CCCC2C1)C(C1CCCCC1)C1CCCCC1,0
CC(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1,0
O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1,0
CSSC(SC)SC,0
O=C([O-])c1ccc([I+]c2ccccc2)cc1,0
O=C(c1ccccc1)C1CCC1,0
CC1CCC(=O)O1,0
CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+],0
CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F,1
OC(C(NC(=O)C1CC(CCC1)C1(NC(=O)C)CCCC1)Cc1ccccc1)CC(C(=O)NCCCC)C,0
FC(F)C\C=C\c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
O=c1ccn(CC2(CO)CCC2)c(=O)[nH]1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1
C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,1
OCc1c[nH]c2ccccc12,0
O=[N+]([O-])c1ccccc1CCO,0
CCOC(=O)C(=Cc1ccccc1Br)P(=O)(OCC)OCC,0
Cn1c(NS(=O)(=O)c2ccccc2)nc2ccccc21,0
S(=O)(=O)(CC(NC(OCn1nc(cc1C)C)=O)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCC(C)C)C)CC(C)C)C,1
NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,0
Cc1noc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(-c4ccccc4)c4ccccc34)cc2)c1C,0
C[NH+](C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)C(=C(N)[O-])C1=O)O)[O-])O)N(C)C,1
COC(=O)OCC1C=CC(n2cnc3c(Cl)nc(N)nc32)CC1,0
CC(C)(C#N)C(C)(C)SSC(C)(C)C(C)(C)C#N,0
n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N,1
CC(C)(C)C(=O)C(=O)O,0
O=c1oc2ccc([N+](=O)[O-])cc2cc1Br,0
C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,1
CC(=O)Nc1ccc(C=CC(=O)c2sc(-c3nc(C)c(C(=O)C=Cc4ccc(NC(C)=O)cc4)s3)nc2C)cc1,0
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,0
COc1ccccc1OC,0
N=C1NC(=O)C(c2ccccc2)S1,0
COc1cc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)cc(OC)c1OC,0
C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N,0
CCCCCCCCBr,0
CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-],0
CCCCCCCCCCCCCCCC(=O)OCC,0
O=S(=O)(O)c1cc(Cl)cc(Cc2cc(Cl)cc(S(=O)(=O)O)c2O)c1O.[NaH],1
c1cnc2c(c1)ccc1cccnc12,0
O=[N+]([O-])c1ccc(O)cc1C(F)(F)F,0
Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC,1
COCCl,0
CCC1(CO)COCOC1,0
CCOc1ccc(Nc2ccc(N=Nc3c(N)c(C)cc(N=Nc4ccc(-c5ccc(N=Nc6ccc(O)c(C(=O)O)c6)cc5)cc4)c3N)cc2S(=O)(=O)O)cc1,1
[nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1,0
c1csc(-c2ccc(-c3cccs3)s2)c1,1
Oc1ccc(cc1)CC[NH3+],1
C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O,1
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,0
Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O,0
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,0
O=C(O)c1cccc(O)c1,0
CC(C)(C)c1ccc(CCC=O)cc1,0
O=S1(=O)c2ccccc2N2CCCc3cc(Cl)cc1c32,0
O=S(=O)(O)SCc1ccccc1CSS(=O)(=O)O,0
Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-],0
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,0
CC=CC=CCOC(=O)C(C)C,0
O(CCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,1
O=C1c2ccccc2C(=O)N1CCl,0
CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,1
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC,1
CCCCCCCC1CCCC1=O,0
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,1
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C,0
CCOC(=O)CC(C)C1(C(=O)OC)CCCC1=O,0
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,0
CS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1,0
NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1,0
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F,0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21,0
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,0
CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N,1
CCCCCCCCCCCCC(Br)C(=O)NCC(N)=O,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cc(nc(c1)CC)CC,1
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C1CC1,1
CCOC(C)OCC,0
O=C(C=Cc1cccc2ccccc12)c1ccc(Br)cc1,0
Cc1ccc2c(Br)cc(Br)c(O)c2n1,0
CC(C)=CCCC1(C)C=Cc2c(ccc3c(C)noc23)O1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
O=c1cc(-c2ccccc2)oc2cc(OCCSCCCCCCCCCCSCCOc3ccc4c(=O)cc(-c5ccccc5)oc4c3)ccc12,0
C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2,0
c1ccc(P(c2ccccc2)c2ccccc2)cc1,0
CNC(=O)Oc1cccc(N=CN(C)C)c1,0
CCBr,0
C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21,0
C1COCCN1,0
COC1(O)C(=O)c2ccccc2OC1(OC)c1ccccc1,0
CCCCOCCOCCO,0
COc1cc(C2C(C(=O)Nc3ccc(Cl)c(Cl)c3)=C(C)NC(C)=C2C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O,0
O=C(CC(O)(C(F)(F)F)C(F)(F)F)C(c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(O)C1,1
Cc1nc(C)c(C)nc1C,0
NC1CCCCC1.NC1CCCCC1.O=P(O)(O)OC[C@H](O)CO,0
O=C(CCN1CC1)OCC(CO)(COC(=O)CCN1CC1)COC(=O)CCN1CC1,0
O=C1NC(=O)c2c1c1cnn(-c3ccccc3)c1n1cccc21,0
O=C(CCCCC(=O)OCC1COCO1)OCC1COCO1,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1,0
Clc1ccccc1CN1CCc2sccc2C1,0
COc1cc(C(=O)C(CO)Oc2ccccc2OC)ccc1O,0
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1OC(F)F,0
C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N,0
O=C1OC2(c3ccc([O-])cc3Oc3cc([O-])ccc32)c2ccccc21,0
C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],1
O=P(Cl)(Oc1ccccc1)Oc1ccccc1,0
CC1CN1P(=O)(N1CC1C)N1CC1C,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1,0
Nc1ncnc2c1ncn2CC(O)CO,0
ClCC=CCCl,0
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.O=S(=O)([O-])C(F)(F)F,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
Oc1cc(Cl)cc(Cl)c1Cl,0
Cc1ncc(CO)c(C=O)c1O,0
CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC,1
OC(C1CCCCCCCCCC1)C(O)C1CCCCCCCCCC1,0
COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl,0
COc1cc(Cl)ccc1Cl,0
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N/Nc1cccc(-c2cccc(C(=O)O)c2)c1O,0
Nc1cccc(O)c1,0
FC(F)(F)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,0
O=[N+]([O-])c1ccc(Cl)c(Cl)c1,0
CCCCCCCCCCCCCCCC[N+](C)(C)C,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,0
CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)CC1O.[NaH],0
CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,0
CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,0
CCCCCCCC/C=C\CCCCCCCCOCCO,0
CN(C)c1ccc(C=C2Oc3ccccc3C2=O)cc1,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,1
CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,0
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4nc(C)cs4)CCC32)C1,0
CCCCCCCCCCCBr,0
N#Cc1c(Cl)cccc1Cl,0
Clc1cc(Cl)c(OCC#CI)cc1Cl,0
COc1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC,0
c1ccsc1,0
Cc1cccc(Cc2c[nH]cn2)c1C,0
C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1,0
CC(O)CC(C)O,0
NC(=O)c1ccc(S(=O)(=NS(=O)(=O)c2ccccc2)c2ccc(C(N)=O)cc2)cc1,0
CCCCCCCC/C=C\CCCCCCCCO,0
O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N,1
CSc1n(N)cn[n+]1CC(=O)OC(C)(C)C.[I-],0
C[N+](C)(C)CC1C2C=CC(C2)C1CO,0
CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(O)nc(N)nc2N1,0
OCCCO,0
CCCCCCCCCCCCCl,0
Nc1ccccc1C(=O)OCC(O)CO,0
OC(O)C(Cl)(Cl)Cl,0
COC1CCC(CO)OO1,0
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@@H]1F)N)CF,1
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1,0
CCOC(=O)c1ccc(CS(=O)c2ccccc2)c([N+](=O)[O-])c1,0
BrC1=CC=C2NC=CC3=CC=NC1C32,0
CC(C)c1ccccc1O,0
CCCN(C1CCN(C(=O)C2CCNCC2)CC1)[C@@H]1CCc2ccc(OC)cc2C1,0
CC(C)(C)C1=CC(=C(c2ccc(-c3c4ccc(n4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc([nH]4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc(n4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc3[nH]4)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C=C(C(C)(C)C)C1=O,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CC,0
CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl,0
CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O,0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1
COC(=O)Nc1nc(O)c2ccccc2n1,0
O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C,0
CC(=O)OC1CC2CCC3C(CCC4(C)C3CC([N+]3(C)CCCCC3)C4OC(C)=O)C2(C)CC1[N+]1(C)CCCCC1,0
CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O,0
CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1,0
[H-].[H-].[Ba+2],0
CC(C)(C)NCC(O)c1ccccc1Cl,0
CC(=O)c1ccc(Cl)c(Cl)c1Cl,0
COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1,0
CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1,0
CCCCCCCCOCCC#N,0
CC(=NNC(=S)N1CCCCC1)C(=NNC(=S)N1CCCCC1)c1ccccc1,0
CN(C)c1ccc(C(=CC=C2c3ccccc3C(=O)c3ccccc32)c2ccc(N(C)C)cc2)cc1,0
CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1,0
Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c(F)cc1C,0
O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccccc3)C(=O)C12,0
C1=CC(=CC=C1C(=O)NCC(=O)O)N,0
CCOC1c2cc(OC)c(OC)cc2-c2ccc3ccccc3c2N1C,0
CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O,0
C(COCC1CO1)OCC1CO1,0
CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1cccc2ccccc12,0
C[C@H]([C@@H](CO)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)O.CC(=O)O.CC(=O)O,1
COc1ccc(N2C(=O)C3c4[nH]c5ccc(OC)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,0
C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O,0
COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,1
OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O,0
O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCC)cc1,0
CCN(CC)CCOC(=O)C1(CCC(C)C)CCCCC1,0
O1CCCCOc2cc(CC(NC(=O)c3cc(N4CCCC4=O)cc1c3)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)ccc2,1
C/C=C/C=C/C(=O)O,1
CCC(C(=O)N)N1CCCC1=O,1
Cc1c(C#N)c2nc(C(=O)c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)n2c1C,0
S=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc2ccccc2c1,0
CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4,0
COc1ccc(C2NC(=S)N3C(c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC,0
C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O,1
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C,1
CCOC(=O)C1=CC=C(C=C1)N,0
C[N+]1(CCF)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,0
Oc1c(I)cc(I)c2cccnc12,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1,1
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C,1
s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
C=CCc1ccc(O)c(OC)c1,0
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,1
O=C1c2cccc(O)c2C(=O)c2cccc(O)c21,0
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC,0
CCN(CC)c1cccc(O)c1,0
C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F,1
O=C1CCCC(=O)NNC(=O)NCCCCCCNC(=O)NN1,0
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,0
C(CC(=O)N)C(C(=O)O)N,1
O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C,0
[O-][N+]1=c2c([nH]c3ccccc23)=[O+][Cu-3]12[O+]=c1[nH]c3ccccc3c1=[N+]2[O-],0
O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3,0
C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O,1
Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O,0
N#CCN(CC#N)CCN(CC#N)CC#N,0
CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,0
Cl.O=C(C=Cc1ccc([N+](=O)[O-])o1)N1CCN(Cc2ccccc2)CC1,0
CC(=O)c1c(N=[N+]=[N-])c2cccc3c2n(c1=O)CCC3,0
Clc1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N,1
COc1ccc(NC(=O)C(Cc2nc3ccccc3nc2O)=NO)c(OC)c1,0
CC(=O)C1=C(O)C(c2ccccc2)c2ccccc21,0
COc1cc2c(cc1OC)C1C=NC(C(=O)O)(C2)c2ccccc21,0
CCOc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OCC,0
FCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
O=C(NCc1ccccc1Cl)c1c(O)nc2ccccc2c1O,0
CC(=O)CCCCCCCCCCCCC1CCC(C)C(O)N1,0
C=CCNC(=O)N1CC(C)C(=O)Nc2ccccc21,0
CCCC(=O)OCC,0
CNc1c2c(nn1C)CCCC2,0
CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21,1
O=C1Cc2cc3ccccc3nc2-c2ccccc2N1,0
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C,0
CC12CCC3C(CCC4=CC(=O)CCC43C)C1CC(C#N)C(=O)N2,0
O=c1oc2ccccc2[n+](=O)[c-]1-c1ccccc1,0
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,0
CC(=O)O.ON=C1CCCCC1NO,0
CC(C)CN(C[C@@H](OP(=O)([O-])[O-])[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,0
O=C(CCCN1CCC(Nc2ccc(F)cc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1,0
CCCC(=O)C(CC)Sc1ccoc1C,0
CCOc1ccccc1C(N)=O,0
CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O,0
C[N+](C)(C)CC(=O)NN=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1.[Cl-],0
Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1,1
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c56)c(C)c4)cc3C)cc2)cc1,0
O=C(NC(=Cc1ccccc1O)C1NC(Cc2c[nH]c3ccccc23)C(=O)O1)c1ccccc1,0
O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1,0
Clc1cc2nc(n(c2cc1)CCCC(=O)N(CC1CCCCC1)C)N,0
CC(C)(C)C1CCC(=O)CC1,0
C[C@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F,1
CC(CC(=O)O)CC(C)(C)C,0
Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1,0
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)O1,0
CC1=CC2=C(OCO1)C(=O)c1ccccc1C2=O,0
COc1cc(OC)c(-c2oc3ccccc3c(=O)c2O)c(OC)c1,0
CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,1
CC(C)c1ccc2sc3ccccc3c(=O)c2c1,0
O=C(CN1CCOCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2,0
CCCCCCCCCCCCN(CCO)CCO,0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,1
CCCCCCC(C)O,0
CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I,1
[N-]=[N+]=NCCCCCCCCCCCC(=O)O,0
CCOC(=O)NN=C(CC)OCC,0
CCC1(CC)SCC(=O)NC1=O,0
CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O,1
COc1ccccc1C1c2cc3c(cc2OC2(OC)COC(=O)C12)OCO3,0
CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1,0
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O,0
Nc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4ccc5c(O)c(N=Nc6cccc(N)c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1,0
S1(=O)(=O)CC(Cc2cc(OC3COC3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
COC(=O)CC(C(C)=O)C(=O)OC,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCF,1
CCO.C[C@@H]1C2C(C3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1C2C(C3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl,1
Oc1ccc(cc1CC)CC[NH3+],1
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4,1
COC(=O)c1cc(C#N)[nH]c1-c1ccc(Br)s1,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,0
Cc1ccc(N=C=O)cc1N=C=O,0
C1C(C(OC1N2C=NC(=NC2=O)N)CO)O,1
CCNC(=O)C1CC(C)CCC1C(C)C,0
CCN(CCN1C(=O)C2CCCCC2C1=O)c1ccc(N=O)c(C)c1,0
C[C@@]1(C2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNCCCC[C@@H](C(=O)O)N)N(C)C)O,1
Clc1cc(-c2cc3c(OC(CC34N=C(N)N(C)C4=O)(C)C)cc2)c(F)cc1,1
CSc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1,0
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3,0
CCOC(=O)c1nnc(-c2ccccc2)nc1Cl,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)c4ccccc4SSc4ccccc4C(=O)Nc4ccc(S(=O)(=O)c5ccc(NS(=O)(=O)c6ccc(NC(C)=O)cc6)cc5)cc4)cc3)cc2)cc1,1
NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
O=C(C(=O)N1CC2C=CC1CC2)c1c[nH]c2ccccc12,0
CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O,1
Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1,0
C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,1
CN(C)CCOc1ccccc1Cc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
COC(=O)c1ccccc1O,0
O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl,0
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=CCO)CO,0
O=C(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1,0
s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N,1
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O,1
NC(=O)c1csc(C2(O)COC(CO)C2O)n1,0
C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,1
O=C([O-])c1ccccc1,0
C=CC(=O)NC(C)(C)CC(C)=O,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)(C)C,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c1OC,0
O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C,1
Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O,0
CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl,0
COc1nc(N)nc2nc[nH]c12,0
Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c1ccco1,0
CC(=O)Nc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,0
Cc1cc(S(=O)(=O)N2CCNNC2=O)c(S)cc1Cl,1
CC(=O)NNC(=S)NC=C(C(=O)c1ccccc1)c1ccccc1,1
Nc1ccc([As](=O)([O-])O)cc1,0
CC(=O)OCC[N+](C)(C)C,0
COC(=O)C(C)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(Cc1ccccc1)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C,0
Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1
C1=C2C(=NC=NC2=O)NN1,1
CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC,0
c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1,0
C=CCc1ccc(OC)c(OC)c1,0
CCCCCC1=CCCC1=O,0
CCOC(NC(=O)CC)(C(F)(F)F)C(F)(F)F,0
C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N,1
COC(=O)C(=NO)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1,0
O=C(N[C@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1,0
Nc1c(Cl)cc(Cl)cc1Cl,0
O=C1N[C@@H](C[C@@H](CCCCCCCC(=O)N[C@H]1C)C)[C@@H](O)C[C@H](C(=O)NCCCC)C,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C,0
ClCOCCl,0
Clc1cc(cc(Cl)c1NC(=O)C)CNC(NC(=O)Cn1c2cc(ccc2cc1)C#N)=N,1
OCC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1Cc1ccccc1,0
NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1,0
CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,0
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,1
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O,1
O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,0
CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl,0
O(C)c1nccc(c1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccc(Cl)cc1,0
O=C(O)C=CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,0
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3,1
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],1
N=c1[nH]n2c(C(Br)Br)cc(C(Br)Br)nc2c1[N+](=O)[O-],0
CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O.CC(=O)O,0
COc1ccccc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)C1c1ccccc1,0
C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3,1
CC(Cl)=NOC(=O)Nc1ccc([N+](=O)[O-])cc1,0
CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O,1
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
CC(=O)OC1CN2CCC1CC2,0
CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C,1
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2,1
O=[N+]([O-])C(Cl)=C(Nc1ccccc1)C(Cl)=C(Cl)Cl,0
COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1,0
[Zn+2],0
C=C1CC2(C)c3ccccc3NC(=O)C12,1
F[B-](F)(F)F,0
COc1ccc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc1OC,0
NCCCc1nonc1C(=O)O,0
O=S(=O)([O-])O.[Na+],0
C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2NC(=NC3=O)N,1
C=CC(=C)CCC=C(C)C,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1
O=C([O-])C[C@H](O)CC(O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,0
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,1
CCCC(C)CC,0
O=C(O)C1=C(C(=O)O)N(c2ccncc2)C(c2ccco2)=CC1c1ccccc1[N+](=O)[O-],0
O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N,1
Cc1nccn1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1,0
CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O,1
COC1(OC)CCCCC2c3cccc(OC(C)=O)c3C21OC(C)=O,1
CCNC(=S)NN=C(c1ccccc1)c1ccccn1,0
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cc1,0
CNN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(C(O)C(=NNC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C3C(C2)C3)C)c(F)cc1,1
CCOC(=O)c1c(-c2ccccc2)c(C)cn1C,0
CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21,0
CC(=O)OC1=CC=CC=C1C(=O)O,1
CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2,0
COC(=O)C=C1C(=O)N(C(C)=O)c2ccccc21,0
O=C(O)c1ccc(O)nc1,0
COC(C)=O,0
Cc1ccc([PH](Cc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,0
C(=NNc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1,0
C=CC(=O)OCCCC,1
CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2ccccc2n1,1
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,0
CCCCC(CC)COC(=O)c1ccc(O)cc1,0
COC1=CC(=O)c2ccc(C(C)C)cc2C1(C)C1=NC(C)(C)CO1,0
COc1nc(C)nc(Cl)c1NC1=NCCN1,0
O=C(Nc1ccc(-c2ccco2)oc1=O)c1ccccc1,0
CCC(C)C(N)C(=O)O,0
N#CC(Br)(Br)C(N)=O,0
COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,1
COc1cc2ccc(CC#N)cc2cc1OC,0
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C,1
CCCCNCCCC,0
Cc1ccc([N+](=O)[O-])cc1,0
CCCCN(CC)C(=O)C(=O)C1C(=O)Nc2ccccc2S1=O,0
Cc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1,0
NCCCCNc1ccc2c(O)nnc(O)c2c1,0
Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,0
COc1ccc(Cc2cnc(N)nc2N)cc1OC,0
CCc1cccc(CC)c1N,0
CCCCCCCCCCCCCCBr,0
COc1c(Br)cc(Br)c(OC)c1-c1ccc[nH]1,0
S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C,1
C#CCNC1CCC2=CC=CC=C12,1
O=C1CCC(C2CCCCC2)CC1,0
CN1CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,0
N#CC1(C#N)C(c2ccccc2)C=CC(c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N,0
Cc1nc(Nc2ccccc2Cl)sc1C(=O)CC(=O)C(N)=O,0
CC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C,0
NC(=O)Nc1ccc(Cl)cc1,0
CC(C)N(c1ccccc1)C(C)C,0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)(F)F)Cc1ccccc1)C,1
CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1,0
O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(/N=N/c3ccccc3)c(O)ccc2c1,0
C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,1
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1,0
C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,1
CCCCCCCCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C,1
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C,0
Clc1cc2CC(N=C(NC(Cc3cscc3C#C)C(=O)[O-])c2cc1)(C)C,0
Oc1ccc(Cl)c2cccnc12,0
c1ccc(C2=NOC3C4CCC(C4)C23)cc1,0
O=S1(=O)CC=CC1,0
CC1C(=O)C(C)C(c2ccco2)N(N=O)C1c1ccco1,0
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)cc1,0
CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,1
O=C(O)C(F)(F)F.c1ccc(CNCCCCNCCCNCc2ccccc2)cc1,0
CCC1(O)CC2CC(=O)OC2C1O,0
Cl.Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[NaH],1
Cc1cc(=O)n2c(cc3cccccc32)n1,0
OCCCl,0
Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1,0
Cl.N=C(N)c1csc(C2OC(CO)C(O)C2O)n1,0
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,0
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F,1
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,0
C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,1
CCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C,0
Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(SC3)N)(C)C)cc1,0
CCOC(=O)Cc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12,0
CN1C2=C(C(=O)N(C1=O)C)NC=N2,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C,0
C/C=C(C(=C/C)/c1ccc(OC(C)=O)cc1)\c1ccc(OC(C)=O)cc1,0
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO,1
O=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1,0
CCO[Si](CCCS)(OCC)OCC,0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,0
CCCCC/C=C\CCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)O3)NC(=O)[C@@H](N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc3[C@H](C(=O)O)NC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,0
Cc1cn2c(=O)c3ccccc3nc2s1,0
Cc1ccccc1C=O,0
Cc1ccc(SC(C)C(O)(C(N)=O)c2ccccc2)cc1,0
CN(C)CCCOC1(Cc2ccccc2)CCCCCC1,0
O=[Cd],0
CC(O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,0
C1=CC=C(C=C1)CCCC(=O)OCC(COC(=O)CCCC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3,0
S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,1
COCC(O)CO,0
C1=CC2C3C=CC(C3)C2C1,0
O=C(NC1CCCCC1)C(=Cc1ccccc1)NC(=O)c1ccccc1,0
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O,1
Cc1ccc(O)c(C(=O)CCCC(=O)c2cc(C)ccc2O)c1,0
CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3)c(O)c12,0
CC1OC(=O)C(C)OC1=O,0
Cc1ncc(CO)c(CO)c1O,0
C=C(C)C(=O)OCCN(CC)CC,0
O=C1c2ccccc2C(=O)c2c(NCCNC(=O)C3CCCN3)ccc(NCCNC(=O)C3CCCN3)c21,0
CC(=O)Nc1nnc(S(C)(=O)=O)s1,0
CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O,1
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)NN=Cc2cccc(OC)c2OC)cc1,1
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1
COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C,0
CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)F,0
FC(F)(F)c1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5OC(=O)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0
O=C(O)CBr,0
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,1
Fc1c(cccc1C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC,1
C=CCNC1=NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1,0
O=C(O)CCSSCCC(=O)O,0
CC(C)(O)C(Cl)(Cl)Cl,0
O=C1CC2CC1C1CCCC21,1
FC(F)(F)c1cccc(Cl)c1,0
COC1C=CC23c4cc5c(cc4CN(CC2O)C3C1)OCO5,0
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1,1
CCCCCCCCCCCCCCCCCC(=O)O[AlH3](O)O,1
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC,0
COC(=O)N1CC2CC=CC(C2)c2ccccc21,0
OCC1CC2C=CCC(C2)C1,0
Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N,0
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,1
Cn1nc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)n(C)n4)n(C)n3)nn2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[KH],1
CCC(C)CO,0
CCO[Si](CCC#N)(OCC)OCC,0
CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,0
c1ccc2cc(CC3=NCCN3)ccc2c1,0
CCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0
S1(Oc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]CC1CCOCC1)Cc1ccccc1)(=O)=O,1
O=S(=O)(O)CCS(=O)(=O)O,0
CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)OCO2,0
CC1=CC(C)=Nc2cc(Cl)ccc2N1,0
Cc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1,0
O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1,0
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,0
O=C(O)CCNC(=O)c1ccccc1,0
CC(C)S(=O)(=O)c1s[nH]c(=O)c1-c1ccccc1,0
CC(Cl)(Cl)C(=O)O,0
Cc1cc(F)ccc1-c1cc(N2CC[C@@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0
CCCCC(C)C(=O)O,0
NC(=S)Nc1nnc(-c2ccc(-c3nnc(NC(N)=S)o3)cc2)o1,0
CCOc1ccc(NC(C)=O)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OCC(C)C)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
C1=C(C(=O)NC(=O)N1)F,1
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC,0
C=CCc1cc(OC)c(O)c(C(=O)NCCO)c1,0
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1,0
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,0
C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl,1
CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N,0
CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1
C1CN1P(=S)(N2CC2)N3CC3,1
C1CCC2OC2C1,0
CCCC(C)(COC(N)=O)COC(=O)NC(C)C,0
C=CN1CCCCCC1=O,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F,0
COc1ccc(-c2cc3c(c4cc(OC)ccc24)C(=O)OC3=O)cc1,0
Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=N.Cl,0
Cl[Si](Cl)(c1ccccc1)c1ccccc1,0
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O,1
Nc1cccc2c(N)cccc12,0
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,1
CCCCCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O,0
Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1,0
NNC(=S)NN,0
O(C(C)C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1,0
Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1,0
CCC(C)=O,0
COc1ccc2c(=O)c3ccoc3[nH]c2c1,0
CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,0
O=S(=O)([O-])[O-].[Na+].[Na+],0
COc1cc(CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,0
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O,1
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1CCSC,0
O=c1n(-c2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1,0
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0
NC(CSS(=O)(=O)CC(N)C(=O)O)C(=O)O,0
O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,0
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,0
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O,1
CC(C(=O)O)c1ccc(C2CCCCC2)c2ccccc12,0
CS(=O)(=O)O.C1CNC[C@H]([C@@H]1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4,1
C=CCOC(=O)CCCCCC,0
c1ccc([Hg]c2ccccc2)cc1,0
C[N+](C)(Cc1ccco1)c1ccccc1,0
s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N,1
O=[N+]([O-])c1cccc2ccccc12,0
COc1ccc(C(OCC2OC(N3CN4C(=NC3=O)N(C(=O)C(C)C)C(OC(=O)C(C)C)C4OC(=O)C(C)C)CC2OP(OC)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1,0
CCO[Si](C)(CCCOCC1CO1)OCC,0
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,0
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,0
CCSCCCl,0
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1,1
O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl,0
C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl,0
O=CC(Br)(Br)Br,0
C/C=C1\NC(=O)[C@H]2CSSCCC=C[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O,0
CC1Cc2c(Br)nc(N)nc2NC1=O,0
Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc(N)cc43)[nH]c2c(OC)c1OC,0
BrC(Br)C(Br)(Br)Br,0
O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,1
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0
c1ccc([PH](CCOCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0
ON=CC=NO,0
O=C1CC(=O)N2C(=O)CC(=O)N12,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C,0
Cc1ccc(O)c(-n2nc3ccccc3n2)c1,0
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,1
O=C1C=CC(=O)O1,0
S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1,1
C=C(C)[C@@H]1CC=C(C=O)CC1,0
CO/N=C(\C(=O)O)c1csc(NC(=O)CCl)n1,0
CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@H]2O)OC[C@@]1(C)O,0
O=C(O)c1cc(Cc2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O,0
Nc1ccc([N+](=O)[O-])cc1N,0
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)OC)C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1,0
OCCCN1CCCC12CCCCC2,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)CC,1
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)CF,1
CC(C)C1NC(=O)c2ccccc2S1,0
CCN(CC)C(=O)SCc1ccc(Cl)cc1,0
CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1,0
C1CCC2=C(C1)C=CC=C2NC3=NCCN3,0
O=C(O)CC(O)(CC(=O)O)C(=O)O,0
N#CC(=Cc1ccc(C#N)cc1)c1ccccc1,0
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,0
CC1(C)CC[PH](CC[PH]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21,0
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1,0
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,1
O1c2c(cc(cc2)-c2cc(OC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,1
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2,0
O=C(Oc1ccccc1)c1ccccc1O,1
COC(=O)CCCCCCCC(=O)OC,0
CCCCOC(O)CC,0
c1cnc2cc3c(cc2n1)C1CNCC3C1,0
CCOC(=O)C1Nc2ccc(Cl)cc2C2CCCC12,0
COC(=O)c1ccccc1C1CN=NC12Cc1c(C)cccc1C2=O,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C,1
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1N=NNCCCc1ccccc1,0
Cc1cc(-c2ccc[nH]2)on1,0
CCOc1cc(-c2nccc3cc(OC)c(OC)cc23)cc(OCC)c1OCC,0
C=CCON=Cc1cc(NC(=S)c2ccoc2C)ccc1Cl,1
Oc1cc(C2OCCCO2)cc(O)c1O,0
CCC(c1ccc(N(C)C)cc1)C1NC(=S)NC1=O,0
C(C[Ge](=O)O[Ge](=O)CCC(=O)O)C(=O)O,1
C[As](C)(=O)O,0
C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)O,1
COc1ccc(C(c2c(O)c3ccccc3n(C)c2=O)c2c(O)c3ccccc3n(C)c2=O)cc1,0
CCCOC(=O)NCCCN(C)C,0
O1c2ncccc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2,0
C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0
O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCCC)cc1,0
CC1(C)CC2C=C(C=O)C3(C=O)CC3(C)C2C1,0
CC[C@@H](N)CO,0
COc1ccccc1OC(=O)Oc1ccccc1OC,0
COc1cc(C=C(C)c2ccc3c(c2)OCO3)cc(OC)c1OC,0
Cc1ccc(C(=O)C=C2Nc3ccccc3N=C2NC23CC4CC(CC(C4)C2)C3)cc1,0
Cc1ccc(NC(=O)CCc2nnc3sc(=CC=Cc4ccccc4)c(=O)n23)cc1,0
COc1ccc2c(c1)CCN=C2c1ccccc1CCCCl.Cl,0
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C)ccc1F)N,1
O=C(Nc1ccc(C2=NCC(O)CN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCC(O)CN3)cc2)cc1,1
O=c1[nH]c(=O)n(Cc2ccccc2)cc1B(O)O,0
CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2,0
COC(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1,0
CCOC(C)=O,0
COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1,0
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl,1
Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,0
Cn1c(=O)c2c(ncn2CC(=O)NC23CC4CC(CC(C4)C2)C3)n(C)c1=O,0
NC1CCCCC1,0
CC(C)(N)Cc1ccc(Cl)cc1,0
CC#CCC(C)[C@H](O)/C=C/C1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O,0
NC(=O)NN=C1C2CC3CC(C2)C1C3,0
Cc1ccc2ccccc2n1,0
FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2,0
C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1,0
Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1,0
Oc1ccccc1C(Nc1nc2ccccc2s1)c1ccc2cccnc2c1O,0
O=C(C=Cc1ccsc1)c1ccco1,0
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1,0
CC(C)(C)[Si](C)(C)OCC1OC(n2cc(I)c(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,0
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O,0
C=CC(CCC(=O)O)N,1
CC(=O)C(=CNC(N)=S)C(C)=O,0
Nc1ncnc2c1ncn2C1CCC(COP(=O)(O)O)O1.[LiH],1
N#Cc1cccc(Nc2ccccc2SSc2ccccc2Nc2cccc(C#N)c2)c1,1
S=C(NN=Cc1ccccn1)N1CCCCCC1,0
O=C(O)COc1ccccc1/C=N/NC(=O)c1ccncc1,0
CCC[N+]1(C)CCCCC1.F[B-](F)(F)F,0
CCCCCCCC/C=C\CCCCCCCC(=O)OCCO,0
COC(=O)c1cc(C(=O)Nc2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(NC(=O)c4ccc(OC)c(C(=O)OC)c4)c(OC)c(C(=O)OC)c3)cc(C(=O)OC)c2OC)ccc1OC,0
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N,1
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C,1
O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)COC,1
C[n+]1c(COc2ccc(C=NNc3ccnc(NN=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)n3)cc2)cn2ccccc21,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C,1
CCCCCCCCCCNCCN[C@]1(C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)C,1
C=C(C)C(=O)OCCC[Si](OC)(OC)OC,0
CCOC(=O)CC1(CC(=O)OCC)C(=O)N(C)c2ccccc21,0
CCCCCC(C=CC1C2CC(=O)OC2CC1N1CCOCC1)OC1CCCO1,0
CN1/C(=C(/NC2=CC=CC=N2)\[O-])/C(=O)C3=CC=CC=C3S1(=O)=O.[Na+],1
Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+],0
COc1ccc(C=CC(=O)OCCC(C)C)cc1,0
O=C(O)c1ccccc1Sc1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)s1,0
Cc1cc2c(cc1CO)N1Cc3cc(C)c(CO)cc3N(C2)C1,0
C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,1
COc1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,1
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21,0
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I,1
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1,1
CC(=O)NNC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1,0
C=CCCCCCCCCC(=O)OCCCC,0
Clc1ccc(Cl)cc1,0
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1,0
O=C/C=C/c1ccccc1,1
CCOC(=O)C1=CNc2ccccc2NC1=N,0
C=CCc1ccc2c(c1)OCO2,0
N#CC(=Cc1ccc(Cl)cc1)c1ccccc1,0
C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O,1
Nc1ccccc1C(=O)OCC=Cc1ccccc1,0
CC(C)NC(=NC#N)NS(=O)(=O)c1cnccc1Nc1ccc(Cl)cc1,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CCC)N,0
CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,0
CC(=O)Nc1cc(S(=O)(=O)O)cc2c(N=Nc3ccc(C(=O)Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4)cc3)c(S(=O)(=O)O)cc(O)c12,0
COC(=O)/C=C/c1ccccc1,0
ClC/C=C\CCl,0
ON=C1CCCC1,0
CC(C)C1=C(C(=CC=C1)C(C)C)OCOP(=O)([O-])[O-].[Na+].[Na+],1
Oc1ccccc1C=Nc1ccc(SSc2ccc(N=Cc3ccccc3O)cc2)cc1,0
CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,1
O=C1CC(c2n[nH]c3ccccc23)C(=O)N1c1ccccc1,0
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCOCCOCCOCCO3)c1,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N,0
S1(=O)(=O)CC(Cc2cc(OC(C)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1,0
Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](C)Cc2ccccc2)cc1,0
NC(=O)c1cc(C=Cc2ccccc2)on1,0
S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,0
COCc1ccc(COC)cc1,0
CC(=O)Nc1cc(N=Nc2ccc(N=Nc3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)O)cc1N=Nc1cccc(C(=O)O)c1,1
Cc1cccc(C)c1O,0
COC(=O)C=Cc1cc(=O)n2c(nc3ccccc32)s1,0
CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,0
COC(=O)c1cc(Cl)ccc1OC,0
CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C,0
CCCCCCC(=O)OCC,0
Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(C)c3O)c2O)c1O,0
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,0
CCOC(=O)c1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,0
CCC(CO)CO,0
O=C1C(O)C2C(O)OC3C2N1CC3[Si](c1ccccc1)(c1ccccc1)c1ccccc1,0
C[C@@H](C(=O)O)N.CC(=O)O.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N,1
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1,0
NC(=O)C1C(=O)Oc2cccnc21,0
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,0
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1
S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1,1
CC(C)C1CNC2N1C(=O)C2(C)OCc1ccccc1,0
O=C(O)c1ccccc1NCCc1ccccc1,0
N#CC1(N=NC2(C#N)CCCCC2)CCCCC1,0
Clc1cc2nc(n(c2cc1)CCCC(=O)N(Cc1cc(F)ccc1)C)N,0
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC,1
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1,0
CN1CCOC(c2ccccc2)c2ccccc2C1,0
O=C1c2cscc2C(=O)c2cscc21,0
CN(C)C=Nc1c(I)cc(I)c(CCC(=O)[O-])c1I,0
Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N,0
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1,0
Cc1cc(N=Nc2ccccc2C)ccc1N,0
Cc1cc2c(Br)cc(Br)c(O)c2nc1C(=O)c1ccccc1,0
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-],1
C=CC(=O)OCCCCCC,0
CCN(CC)C(C)C(=O)C1=CC=CC=C1,0
CCOC(F)(F)C=Cc1ccccc1,0
NCC(=O)O,0
CCCCC(CC)COC(=O)Cl,0
Cn1c2ccccc2c2nn3cnnc3nc21,0
CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-].[Gd+3],0
NNC(=S)NN=CC(=CNc1ccccc1)[N+](=O)[O-],0
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],1
O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc3ccccc3c(=O)n2c2ccccc12,0
CC(C)O,0
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C,1
N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,0
S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C1CCCC1)c1ccccc1)C,1
C=CN1C(=O)C(Oc2ccccc2)C1c1ccccc1,0
N#Cc1cc2ccccc2c2ccccc12,1
ClC(Cl)(Cl)Br,0
OC[C@H](Cc1cccc(O)c1)[C@H](CO)Cc1cccc(O)c1,0
CCCOC(=O)c1ccccc1C(=O)OCCC,0
S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1,1
N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccccc2)C(c2ccccc2)C1)c1ccccc1Cl,0
CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N,1
O=C(N[C@H]([C@H](O)C[NH2+][C@H]1CC(Cc2nn(cc12)CC(C)(C)C)(C)C)Cc1ccccc1)C,1
CC1=CC[C@@]23CC1C(C)(C)[C@@H]2CC[C@H]3C,0
C(=Cc1c[nH]c2ccccc12)c1nccc2ccccc12,0
CCOCCP(CCOCC)CCP(CCOCC)CCOCC,0
CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1,0
Cc1cc(-c2ccc(N=Nc3c(N)c(C)cc(S(=O)(=O)O)c3N)c(C)c2)ccc1N=Nc1ccc(O)c(C(=O)O)c1,1
O=c1[nH]c2ccccc2c(=O)n1CCCl,0
CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)C1CCC2=O,1
CCCCCCCCCc1c(O)c(O)c(CCCCCCCCC)c(CCCCCCCCC)c1CCCCCCCCC,0
Nc1nc(N)nc(NC2CC2)n1,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)C,1
O1C[C@H](NC(=O)c2cc(cc(c2)[C@@H](O)[NH2+][C@H](C\C=C\C1)c1ccccc1)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C,1
CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,0
C1OC1CN1CCN(CC2CO2)CC1,0
CCCCCCC1CCC(=O)O1,0
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,0
O=C(O)c1c2ccccc2cc2ccccc12,0
CC(CO)CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C,0
CCC(=O)NCCC1CCc2ccc3c(c21)CCO3,0
O=C1CC[C@@H](C(=O)O)N1,0
CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1
C(=Cc1ccncc1)c1ccccc1,0
COP(=S)(OC)Oc1ccc(SC)c(C)c1,0
O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CC)CC)cccc2)Cc1ccccc1,0
CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1,0
CCCC(C)C(=O)O,0
CCNc1cc(O)ccc1C,0
CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O,1
c1ccc(Nc2ccc3ccccc3c2)cc1,0
O=C(CC1C(=O)c2ccccc2C1=C1C(=O)c2ccccc2C1=O)c1ccccc1,0
Clc1cc(cc(F)c1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
CCCCC(=O)N(C)C,0
O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1,0
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,0
CCCCCCCC1CCC(=O)O1,0
O=[N+]([O-])c1cccc(O)c1,0
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC(O)C1=CCOC1=O,0
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,0
COC(C)(C)CCCC(C)C/C=C/C(C)=C/C(=O)OC(C)C,0
CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO,0
OCc1ccccc1,0
CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C,1
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C(F)F)ccc1F)N,1
NCCCN(CCCCN(CCCN)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1,0
CN(CCC#N)c1ccc(C=C(C#N)c2ccc(Br)cc2)cc1,0
S1(=O)(=O)CC(Cc2cc(-c3occc3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc(OC)c1OC,1
S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1,1
CN(C)C(=N)CSS(=O)(=O)O,1
Cc1cn(C(CO)OC(CO)CN(O)C2C3CC4CC(C3)CC2C4)c(=O)[nH]c1=O,0
Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1,0
O=C(O)c1cc(-c2ccccc2)nc2ccccc12,0
CN(C)C(=O)Cl,0
CC1(C)C2CCC3(C2)[C@H]1C(=O)CCC3(C)C,0
O=C1COC(C(=O)c2ccccc2)C(=O)N1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)c3c(C2)cccc3)C)c(F)cc1,1
O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C,0
CC(=O)[C@@]1(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,1
CC(CO)CCNc1ncnc2c1ncn2CCC#N,0
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC,1
COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl,0
CCCCCCCC(=O)N(C)C,0
O=CCCl,0
CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO,1
Cc1ccccc1CO[C@H]1C[C@]2(C(C)C)CC[C@@]1(C)O2,0
[Tc],0
Cc1ccc(S(=O)(=O)NC2CCCCO2)cc1,0
C=CCCCCCCCCC(=O)O,0
CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1,0
CCOC(=O)C(=CNC(=S)Nc1c(C)cccc1C)C(=O)c1ccccc1,0
O=C1c2ccccc2C(=O)N1OCCCCON1C(=O)c2ccccc2C1=O,0
CCCCCCCCCCCCCCOS(=O)(=O)O,0
CCCCCCCCCCCCN,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)[C@@H]1[NH2+]C(N(C)C1=O)(C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1)C,1
Cc1occc(=O)c1O,0
OC[C@@H](O)C(O)[C@H](O)CO,0
CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O,0
O=[N+]([O-])c1nccn1CO[C@@H](CO)[C@H](O)CO,0
N#Cc1nc(-c2cccc(-c3nc(C#N)c(N)o3)n2)oc1N,0
O=S(=O)(Cl)Cl,0
O1[As]2O[As]3O[As]1O[As](O2)O3,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C,0
O=S(=O)(O)c1cc(O)c(N=NC2S(=O)(=O)OCCOS2(=O)=O)c2ccccc12,0
CC1=C(C(=O)Nc2ccccc2)SCCO1,0
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I,0
Cc1cc(C(=C2C=CC(=N)C=C2)c2ccc(N)cc2)ccc1N,0
CCOC(=O)NNc1nncc2ccccc12,0
Cn1nc2ccc([N+](=O)[O-])c(Cn3nnc4ccccc43)c2n1,0
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl,0
C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-],1
CC(=O)c1ccc(C(C)=O)cc1,0
O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,1
CC[C@H](OC(C)=O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1,0
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,1
CC[Sn](CC)(OC(=O)c1ccccc1OC)O[Sn](CC)(CC)OC(=O)c1ccccc1OC,0
CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N,1
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-],1
COc1ccc(N=CC=Cc2ccccc2)cc1,0
C=CC(=O)OCCCCCCOC(=O)C=C,0
CCn1cc[n+](C)c1.COS(=O)(=O)[O-],0
Brc1nc2ccccc2s1,0
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,0
O1c2c(cc(cc2)-c2ccccc2OC)C2(N=C(N)N(C)C2=O)CC1(C)C,0
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,1
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH],1
CCCCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1OCc1ccccc1,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)C(C)(C)CCC1,0
Cc1cc(O)cc(C)c1Cl,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC,1
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,1
O=C([O-])C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1,0
O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1,0
Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1)SC(=N)N2,1
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,0
OCC1CC2CC1C1CCC(CO)C21,0
S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0
O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1,0
[N-]=[N+]=NC1=CC(=O)c2cccc3cccc1c23,0
OC1(c2ccccc2)CCNCC1,0
CC(O)CN(CCCN(C)C)CCCN(C)C,0
CCC(C)C(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)O,0
Fc1ccccc1-c1ccccc1,0
N#CC(C#N)=Cc1ccccc1[N+](=O)[O-],0
FCCC[C@@H](F)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1,0
CCCCC(CC)CCC(CCC(CC)CCCC)S(=O)(=O)O,0
N#CCCl,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)NCCCC)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C[NH2+]C(C(O)C)C(=O)NCC(C)C)C(=O)NC(C)c1ccccc1)C,1
CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N,1
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@@]1(N=C(N)CN(C)C1=O)C,0
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1,0
CCOCCO,0
CC(=O)OC(C)OC(C)=O,0
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C(O)C4OC4C2(C)C13,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(O)cc1,0
COC1(C)CNCC(C)(C)NC(=O)C(C)(OC)CNCC(C)(C)NC1=O,0
O=C1NC(CN1Cc1ccccc1)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1,1
N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,0
Cc1ccc(Sc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,0
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0
COc1ccc(N)c([N+](=O)[O-])c1,0
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12,0
O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(CCCC(C)C)(C)C)Cc1ccccc1,1
S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCCC)ccc1)C,0
CCCN(CCC)C(=S)NN=Cc1cccc(C)n1,0
N#Cc1c(N2CCC(O)C2)c2ccccc2n2c1nc1ccccc12,0
CC1=CN=C(C=[N+]1[O-])C(=O)O,0
COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1,0
O(C)c1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N,1
CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1,0
COc1ccc(-c2c(C#N)c(S)nc3c2CCC3)cc1,1
C[C@]12CCC(=O)C=C1C[C@H](C3[C@]24C(O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC,1
CP1(=S)CCC2C3=C(CCC21)CC(=O)CC3,0
CC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1,0
s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC,0
O=Cc1ccc(C=O)n1C1CCOC1=O,0
CC(C)COC(=O)COc1ccc(Cl)cc1Cl,0
S1(=O)(=O)CC(Cc2cc(CC)c(NC(=O)C[NH+](C)C)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3CC[C@H](N3)C(=O)N(C)C)C(=O)O)[C@@H](C)O,1
Nc1ccc(F)cc1F,0
CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC,0
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,1
COC(=O)CSc1nc2[nH]c(SC)c(C(N)=O)c2c(=O)n1-c1ccccc1,0
Cc1cc(O)nc(CNC(=O)c2cccc3ccccc23)n1,0
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,1
COc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1,0
CC(=O)NC(Cc1ccccc1)C(=O)O,0
Cl.NN=C(Nc1ccccc1)SCc1ccccc1,0
CCOC(=O)CC1=CSC2=NCCN12,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC([NH3+])C1,1
Clc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
S1(=O)(=O)CC(Cc2cc(OCCOC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2O)N1Cc1ccccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
Nc1nc2ccc(Cl)cc2s1,1
C[N+](C)=CCl,0
S1(=O)(=O)CC(Cc2ccc(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C,0
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,0
O=C(O)C1CCC1,0
C/C=C(/C)C#N,0
COc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1N,0
c1ccc(-c2ccc(-c3ccccc3)cc2)cc1,0
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,1
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCCCO,1
CCCCCCOC(=O)c1cccnc1,0
c1ccc2nccnc2c1,0
CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3,1
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,0
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C,1
CC(=O)CCCCn1c(=O)c2c(nc(Br)n2C)n(C)c1=O,0
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C,0
COc1ccc(OC)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(OC)ccc3OC)C2c2ccccc2)c1,0
O=[N+]([O-])c1ccc(C=Cc2c[n+]([O-])nc3ccccc23)cc1,0
CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,0
COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,0
CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-],1
O=[N+]([O-])c1ccc([O-])cc1,0
CCc1nccnc1C,1
Nc1c(NC/C=C\COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O,0
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1,0
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1,0
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(OC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],1
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0
CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-],0
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C(F)(F)F)[C@@H]1F)N)C,1
CCOP(=O)(OCC)OCCOCCOP(=O)(OCC)OCC,0
O=c1[nH]c(=O)n(Cl)c(=O)n1Cl,0
CC(=O)OCC1OC(NC(=S)Nn2c(-c3ccccc3)nc3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,0
C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O,1
CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,0
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
CCOP(=O)(OCC)C(Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1,0
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,1
COP(C)(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1,0
S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC,1
CCOCC(=O)O,0
CS1(C)=NC(=O)c2cc([N+](=O)[O-])ccc2N=1,0
Nc1cccnc1,0
COC(=O)c1cc(C(=CCCOS(C)(=O)=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,0
Cc1ccc(S(=O)(=O)N2CCCSCCSCCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,0
Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C,0
COc1cc2oc(=O)cc(C)c2c(OC)c1O,0
CNCCS(=O)(=O)O,0
C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O,0
Cc1c2ccccc2n[c-](CSc2nc3ccccc3s2)[n+]1=O,1
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1cc(OC)c(OC)c(OC)c1,0
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0
O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],0
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,0
C=CC(C)(C)C,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\COC,1
C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N,1
O=C(C=CC1C(=O)NC(=O)NC1=O)CC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,0
CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5,1
COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC,0
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2,0
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3],1
CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,0
CC(=O)Oc1ccc(C=CC(=O)OC(C(=O)O)C(OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O,1
CC(=O)NO,0
CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC,1
Fc1ccc(cc1CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C#C,1
COC(=O)C(=NN)C(C(=O)C(=O)Nc1n[nH]c(=S)[nH]1)c1nc2ccc([N+](=O)[O-])cc2nc1O,0
Cc1ccccc1[N+](=O)[O-],0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1,1
CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C,0
O=C([O-])CC(O)C(=O)[O-],0
CCOC(=O)C=CCCO[Si](C)(C)C(C)(C)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C,1
N#CC(C(=NNC(=O)C(=O)NN)C(=O)Nc1nc([N+](=O)[O-])cs1)c1ccc(Cl)cc1,1
Cc1cc(CC(=O)[O-])n(C)c1C(=O)c1ccc(Cl)cc1,1
C=CC/C=C/C,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1
CN1C(=O)c2ccccc2C1=O,0
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C,1
O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C,1
[SnH2+2],0
CCCCCC,0
CCCCCCCCCC(=O)N[O-],0
COc1cc2cccc(N=Cc3ccccc3Cl)c2cc1OC,0
C=CCCCC,0
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C,1
CC(=O)NC1=NN=C(S1)S(=O)(=O)N,1
CS1(=O)=NC(=NC#N)c2ccccc21,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1,0
NCCCCCCNCCCCCCN,0
CCCCCCCCc1ccc(O)cc1,0
CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1,0
Cc1ccc(S)cc1,0
NC(=O)CNC(=O)CCCCC1CCSS1,1
Cc1cc(Cl)ccc1O,0
CC(CCC(C)OS(=O)(=O)c1ccc(F)cc1)OS(=O)(=O)c1ccc(F)cc1,0
CCCCN(CCCC)N=O,0
Cc1ccc(S(=O)(=O)[O-])c(C)c1,0
O=C(c1ccccc1)C(C(=O)c1ccccc1)C1(O)C(=O)c2ccccc2C1=O,0
C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl,0
C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O,0
O=CC(O)C(O)C(O)C(O)CON1CC(O)C(O)C(O)C1,0
CC(=O)Nc1c(C(=N)C#N)ncn1CCO,0
S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1,1
O=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2ccco2)cc1,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)n(C)c1.[Na+],1
COC(=O)/C=C\C(=O)O,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C,1
OCC(F)(F)F,0
O=C1N(C)C(=N[C@](C1)(CCc1ccccc1)C)N,0
CCCCNc1ccc(C(=O)OCC[NH+](CC)CC)cc1,0
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,1
CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1,0
C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1,0
CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O,1
O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,0
O1c2cc(ccc2OC1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1,0
Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1,1
CC(CO)(CO)[N+](=O)[O-],0
CCCOc1sc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c(C)c1Br,0
COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1,1
CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O,0
O=C1NC(=NC(=C1)CCC)N,0
CC(C)N(O)C(=N)c1ccccc1.Cl,0
CCCCC(CC)COC(=O)c1ccccc1C(=O)O,0
s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(F)cc1,1
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc3c(COC3(C)C)cc2)C1,1
CC(C)(Oc1ccc(C2CCCc3ccccc32)cc1)C(=O)O,0
CS(=O)(=O)c1ccc(N2CC2)nn1,0
Cl[V](Cl)(C1C=CC=C1)C1C=CC=C1,0
CNC(C)=O,0
N=C(N)SCc1ccccc1.O=C(O)C1CC2C3C=CC(C3)C2C1,0
CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C,1
Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1,0
COC(=O)CCCCC(=O)OC,0
COc1ccc(C)cc1-c1cc(Sc2ccccc2)c(-c2cc(C)ccc2OC)o1,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C,0
CCCc1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,1
CCCCCCCCCCCCCC(=O)OCC(O)CO,0
CC(O)C(CO)C(C)O,0
Cc1ccc(C2SCc3nc4ccccc4n32)cc1,0
CN1C(=S)NC2C(O)C(O)C(CO)OC21,0
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)C(C)OC(=O)[C@H](c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O,0
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,1
O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1,0
O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O,0
N#CC(=CN1CCNC1=S)C(=O)c1ccc2ccccc2c1,0
C=CCCC=C,0
N#CC(=C1SC(N=Nc2ccccc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1,0
CSc1nnc(C(C)(C)C)c(=O)n1N,0
FCCCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)c1,0
N#CCCC(Br)(C#N)CBr,0
CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1,0
COc1ccc(C(c2ccccc2)C(C)C(=O)c2c(C)cc(C)cc2C)cc1,0
O1CCC(CC1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(OC)ccc1,0
CNC(=O)C(c1ccccc1)c1ccccc1,0
CC(C)[C@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,1
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1,1
CCCC[N+](CCCC)(CCCC)C1=C([O-])C(F)(F)C1=O,0
Oc1nc(CC(O)(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1,0
CCOC(=O)Cn1c(=O)cc(C=O)c2ccccc21,0
NC(CO)C(=O)NCCS(=O)(=O)O,0
O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,0
CO/N=C(/C(=O)OC)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(CP(=O)(O)O)cc4)ccc3C)c2)c1.[NaH],1
CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O,0
CSc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc(Cl)cc1)=N2,0
Cl[Ni]Cl,0
BrC(Br)Br,0
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1,1
CC(C)OC(=S)[S-],0
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,0
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)COC2OC(CO)C(O)C(O)C2O)C1,0
CC(NC(=O)C1CC1(C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12,0
CCCCCCCCCCC(=O)O,0
CCCC(=O)OCCC(C)C,0
CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,1
Cc1ccc(S(=O)(=O)c2c(N)n(CCN(C)C)c3nc4ccccc4nc23)cc1,0
O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(SSc2cc(Cl)c(C(=O)Nc3ccccc3)cc2S(=O)(=O)Nc2nc3cccnc3[nH]2)cc1Cl,1
O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,0
S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C,1
COc1ccc(NC(=O)C(=CN2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)C(C)=O)cc1,0
CC1(O[C@@H]2C[C@H]3C4CCC5=CC(=O)C=CC5([C@H]4C(CC3([C@@]2(O1)C(=O)CO)C)O)C)C,0
NC(=O)c1ccc(N)cc1,0
CCCCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
C1CCC2=NCCCN2CC1,0
CCOC(=O)CCN1C(=O)c2c(NC(=O)C(=O)O)cccc2S1(=O)=O,0
Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1,0
CNCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC1C(C(N)=O)OC(n2ccc(=N)[nH]c2=O)C(O)C1O,0
O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC,1
S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C,0
CCCCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)N(CCCl)N=O)C(O)C1O,0
O=S(=O)(O)c1cc(N=Nc2ccc(O)cc2)ccc1C=Cc1ccc(N=Nc2ccc(O)cc2)cc1S(=O)(=O)O,0
Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1,1
CC(C)(C)C(=O)CCc1ccc(Cl)cc1,0
O=C(O)c1cc(Cl)ccc1Cl,0
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O,0
C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,0
s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)C(=O)c1ccccc1)-c1cc(ccc1)C#N,1
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F,1
CCC1(C)CC(=O)NC1=O,0
CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC,1
Cc1ccc(C=C2CCCC(C(NO)c3ccc(C)cc3)C2=NO)cc1,0
Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1,1
Cc1cc(Br)cc(C)c1NC(=O)C(=O)CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C,0
Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OCCF)cc1,1
COC(=O)CC1(CNC(=O)OCc2ccccc2)OCCO1,0
O=C1NC2CCCCN2C12CCN(CCCN1c3ccccc3CCc3ccc(Cl)cc31)CC2,0
CC/C=C\CCOC(=O)CCCCC,0
O=c1c2cc(Br)ccc2oc2ccc(Br)cc12,0
FC(F)(F)Oc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
O=C(O)c1ccc2c(c1)C(=O)OC2=O,0
Cc1cc(C)c(/N=N/c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1C,0
O=C(O)c1ccccc1C=C1Cc2cc3c(cc2C1=O)CCC3,0
[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1,0
O=C1ON(c2ccccc2)C(c2ccccc2)N1c1ccccc1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC,1
CCN(CC)C(=O)N[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1,0
Cc1cc(S(=O)(=O)Nc2n[nH]c(=O)n2-c2ccccc2)c(S)cc1Cl,0
C/C=C/C=C/C=O,0
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,1
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1,1
B([C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O,1
CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-],0
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3SSc3ccccc3N)c2c1O,0
CC(C)(C)OOC(C)(C)C,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,1
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1,1
C=C(c1ccccc1)C1(O)CCC1N(CC#N)Cc1ccccc1,0
C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O,1
CC(F)(C(N)=O)C(N)=O,0
O=Cc1ccccc1S(=O)(=O)[O-],0
Brc1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1,0
CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1,0
Cc1c(Cl)cccc1[N+](=O)[O-],0
Cc1cccc(C=NNC(=S)Nc2ccccc2)n1,0
Oc1cc(Cl)c(Cl)c(Cl)c1Cl,0
NC(=O)NC1N=C(O[AlH3](O)O)NC1=O,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1,0
COc1cc2nc(CCc3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC,1
Cc1cc(S(=O)(=O)Nc2nnc3cc(C(F)(F)F)cc(C)n23)c(S)cc1Cl,1
CC[N+](CC)(CC)CC.N#CC(C#N)=C[C-](C#N)C#N,0
C(CC(=O)O)CO,1
CCNCC(O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-].Cl,0
CCCCSC1CCSc2c1ccc1ccccc21,0
COc1cc(OC)c(OC)cc1C=O,0
Cc1ccccc1NC(=N)Nc1ccccc1C,0
O=C(NCc1ccccc1)c2ccc(O)c(O)c2,1
C=C[Si](OC(=C)C)(OC(=C)C)OC(=C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC,1
COC1OC(C(=O)O)C2OC(C)(C)OC12,0
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1
CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,0
CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C,0
CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1,0
OC(C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)C)CC(C)C)CC(C(=O)NCCCC)C,0
[Ni+2],0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CCCCCc1ccco1,0
ClC1=NSC(Cl)=NS1,0
O1c2ncc(cc2C([NH2+]CC(O)C2NC(=O)C=3C=CC(=O)N(CCCc4cc(C2)ccc4)C=3)CC12CCC2)CC(C)(C)C,1
CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C,1
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C,1
CCCCOC(=O)OC1CCC2(C)CC3CCC2(OO3)C1(C)C,0
C=CC(C)(O)CC/C=C(\C)CC,0
O=C1NC(=O)C(=Cc2ccc(F)cc2)C(=O)N1,0
CCC(CC)C(=O)O,0
COC(C(=O)O)c1ccccc1,0
CCN(CC)C1Oc2cc3c(cc2C(c2cccc(OC)c2O)C1C)OCO3,0
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,1
NC(Cc1ccc(Cl)cc1)C(=O)O,0
O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccco1,0
O=C(NCCc1c[nH]c2ccccc12)c1cccnc1,0
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,0
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I,0
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,1
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(cnc1)C#N,1
Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(NC(=O)c2ncccc2)ccc1,1
Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,0
O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccccc1,0
CC1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2)S1,0
S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4c5ccccc5CCC4C3C2=O)c1,0
CC(=O)c1ccc2c(c1)Cc1ccccc1-2,0
O=Cc1ccccc1Cl,0
OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C,1
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,0
CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,0
Brc1ccc(-c2ccccc2)cc1,0
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1,0
COC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1
O=C(CCN1CCN2CCCC2C1)N1c2ccccc2Sc2ccc(Cl)cc21,0
CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3,1
CC/C(C)=N/O[Si](C)(O/N=C(\C)CC)O/N=C(\C)CC,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(O)cc2)cc1,0
NCCCCC1NC(=O)C(CO)NC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O,0
COC(=O)C1C(C(=O)OC)C2(OC(c3ccc(Cl)cc3)=CC2=O)C12OC(c1ccc(Cl)cc1)=CC2=O,0
Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1,0
Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,0
CC(C(C1=CC=CC=C1)O)N,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cccnc2)C1,1
COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,0
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,0
C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl,1
C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12,0
O1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1,0
CCCC(=O)OCC1OC2OC(C)(C)OC2C2OC(C)(C)OC12,0
C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl,0
O=[N+]([O-])c1ccc(Cl)cc1NN=Cc1ccnc2ccccc12,0
CC(C)N(C(=O)CCl)c1ccccc1,0
CCCCCCCCCCCCCCO,0
C=C(C)[C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1,0
Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)CC3)c2n1,0
C=C(C)C(=O)OCCOC1CC2CC1C1C=CCC21,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1,0
CC(Cl)C(C)Cl,0
O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+],0
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,1
CC(=O)C(=Cc1ccc(C=C(C(C)=O)C(C)=O)cc1)C(C)=O,0
C[N+](C)(C)CCCCCC[N+](C)(C)C,0
COP12(OC)NC(=O)OC1(C(F)(F)F)c1ccccc1O2,0
c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1,0
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N,1
O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(c4ncccc4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2,1
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N,0
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1,0
C=CCNCC=C,0
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](OC4CC[C@@]5(C)C(CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,0
S1(=O)(=O)CC(Cc2cc(OCC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
S(=O)(=O)(N(c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c(cc1)C)c1ccccc1)C,0
s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C,1
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1
Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2C,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O,1
CCSc1[nH]c(NC(=S)NC(=O)c2ccccc2Cl)c(C(N)=O)c1C(N)=O,0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(=O)C[NH2+]C1CCOCC1)C,1
CC1OC(OC(O1)C)C,1
CCCCNCC,0
O=Cc1cn(C(=O)c2ccccc2)c2ccccc12,0
CSc1nc(Br)nc2c1ncn2C1CC(Oc2ccc(C)cc2)C(COc2ccc(C)cc2)O1,0
CN(C)CCOCCN(C)CCO,0
CCCCCCCCCCCCCCCCN,0
CCCCCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1,0
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O,1
CC(C)OC1NC(=O)Oc2ccccc21,0
Cc1cc2c(c(C#N)c1C)NC(=O)CN=C2c1ccccc1F,1
CCCCCCCCCCCC(=O)OC,0
C/C=C(\C)C(=O)OCC/C=C\CC,0
Cc1ccc(S(=O)(=O)N=C=O)cc1,0
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5,1
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C,1
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2cccnc2)C1,1
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,0
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nnn(c1)C12CC3CC(C1)CC(C2)C3,0
COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC,0
CC(C)Oc1ccc(CNC2=NCCO2)c2ccccc12,0
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl,0
CN(C)CCOc1ccc(-c2c(Oc3ccc(Cl)cc3)c(=O)oc3ccccc23)cc1,0
CC(=O)OC1C(OC2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12COCc1cc3c(cc12)OCO3,0
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,1
CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,0
CC1(C)OC[C@@H]2O[C@@]3(C(=O)O)OC(C)(C)O[C@H]3[C@@H]2O1,0
F/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2,0
O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1,1
S1(=O)(=O)CC(Cc2cc(O[C@@H](C(F)(F)F)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
NCCN1CCNC1=O,0
O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,0
O=S(=O)(O)c1cc(Cl)c(Cl)cc1Cl,0
O=c1c(-c2cccc(O)c2O)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12,0
O1CCC(CC1)CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1
CC(=O)Nc1ccccc1O,0
C(=Cc1ccnc2ccccc12)c1cccnc1,0
O=C(CCCCC1CCSS1)N(C(=O)NC1CCCCC1)C1CCCCC1,0
Cc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)c1,0
N[Pt-2]1(N)[OH+]C(=O)P(=O)([O-])[OH+]1.[Na+],0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC#C)Cc1ccccc1)C,1
O=[N+]([O-])C(F)(CCNCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0
N#CC(Cl)Cl,0
OCCOCCO,0
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,1
O=C(Nc1ccccc1)c1ccccc1I,0
N=C(NO)C(F)(F)C(F)(F)C(F)(F)C(=N)NO,0
CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C,0
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C,1
OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,0
S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
COC1OC2COC(c3ccccc3)OC2C2NC(=N)N([N+](=O)[O-])C12OS(C)(=O)=O,0
O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21,0
CC1=CSC2=NCCCCN12,0
C(C=O)C(C=O)O,0
Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
C[N+]1=C(c2ccc[nH]2)CC(C(=O)O)CC1,0
Cc1ccc(S(=O)CC(CF)OCn2cc(C)c(=O)[nH]c2=O)cc1,0
OCC1CO1,0
O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21,0
CC(=O)c1sc2n(C)c(=O)c3ccccc3[n+]2c1C.[Cl-],0
CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)NC(C)c1ccccc1)C,1
CC(CCO)CCCC(C)(C)O,0
CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)O,1
CC(N)CN,0
Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)C)c1cc(ccc1)C#CC1CC1,1
CN(C1CCCCC1)S(=O)(=O)c1ccccc1N,0
NC(Cc1ccccc1)C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(COC(=O)C(N)Cc4ccccc4)C(=O)C2C31.O=C(O)C(O)C(O)C(O)C(O)CO.[Na]Cl,0
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1,0
O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1,1
NCCNCCN,1
O=C(NCC(Cl)=CCl)Nc1c2ccccc2nc2ccccc12,0
CC(CC(O)(C(F)(F)F)C(F)(F)F)=NO,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)C)N,1
COc1cccc(O)c1O,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]CCF)Cc1ccccc1)C,1
CCCCCCCC#N,0
CC(=O)ON=Cc1ncccc1CO,0
CC=CC=Cc1cc2cc3c(c(O)c2c(O)n1)C1(CC3)C(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)C(OC)=CC3=O.[KH],0
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,0
CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O,0
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC,0
CCCCOCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl,0
CCNS(=O)(=O)c1ccc(C)cc1,0
COC1OC2COc3ccccc3OC2C2C1N2C(N)=O,0
N#C[C@@H]1CC(F)(F)CN1C(=O)CNC1CC2CCC(C1)N2c1ncccn1,0
Nc1cc(Cl)c(N)c(Cl)c1,0
CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2,0
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],0
CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c[nH]1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC,1
Cc1cc(=O)oc2cc(O)ccc12,0
O=c1[nH]nc(-c2ccc3ccccc3c2)[nH]1,1
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1,0
CCCCNC1CC(C)(C)NC(C)(C)C1,0
CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,0
COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,0
NC(C(F)(F)F)(C(F)(F)F)P(=O)(Cc1ccccc1)Cc1ccccc1,0
O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=NC1=Cc1ccc(O)cc1,0
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12,0
CCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C,1
C1C[C@H]2CN(C(=O)C3=C2C(=CC=C3)C1)[C@@H]4CN5CCC4CC5,1
C#CCN(N=O)C(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,0
c1ccc2c(c1)[nH]c1cnccc12,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)C(O)C1[NH2+]CC(Oc2ccccc2)C1,1
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5S[C@@H]5C[C@@]43C)[C@@H]1CC[C@@H]2O,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)N)c1cc(ccc1)C(C)(C)C,1
CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N,1
CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl,1
CC(CC(=O)O)C(N)C(=O)O,0
ClCCl,0
Cc1ccc(C2=C(c3ccc(C)cc3)C(c3ccc(C)cc3)=C(c3ccc(C)cc3)C2=O)cc1,0
CC(C)(C)OOC(=O)c1ccccc1,0
Cc1nc2ccccc2n(CC2CCCN3CCCCC23)c1=O,0
CCc1cccc(C)c1N,0
C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2,0
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](OC3OC(CN)=CCC3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](OC3OC(CN)=CCC3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,1
COc1ccc(C(=O)/C(Br)=C\C(=O)[O-])cc1,0
Cc1ccc2c(C)cccc2c1,0
O=c1oc2c3c4c(cc2c2c1CCC2)CCCN4CCC3,0
CN1C(=O)OC(C)(C)C1=O,0
CCC[N+](CCC)(CCC)CCC,0
o1cccc1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1,1
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,0
COCC(O)COn1c(=O)[c-](C#N)[n+](=O)c2ccccc21,0
COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,0
CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccco1,0
CCOC(=O)C(O)=C1C(=O)N(C)C(=O)C1c1cccc(OC)c1,0
CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,0
CCc1n[nH]c(=O)n1N=Cc1c(O)ccc2ccccc12,0
O=C(NCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1,0
Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cncnc1,1
CCCCC1C(=O)N2c3ccccc3-c3ccccc3N2C1=O,0
Cc1cnc(C2=NC(=O)C(C)(C(C)C)N2)c(C(=O)O)c1,0
CC(=O)/C=C/C1=C(C)CCCC1(C)C,0
CCCC(=O)[O-],0
COC(=O)C1C(=O)C(C(=O)OC)C2CCC1N2C,0
CN1C(=O)C(=C2SC(=O)N(CN3CCCCC3)C2=O)c2cc(Br)ccc21,0
S(=O)(=O)(n1cc(c2c1cccc2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)CCCC,0
CC(=O)Oc1cc2c(cc1OCC(F)(F)F)C1CCC3(C)C(OC(C)=O)CCC3C1CC2=O,0
NS(=O)(=O)c1cc2c(cc1Cl)NC(Cc1ccccc1)NS2(=O)=O,0
O=C1c2ccccc2C(=O)C1c1ccccc1,0
COc1cc(Br)c(-c2coc3c(OC)c(OC)ccc3c2=O)cc1OC,0
CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0
CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl,1
CCc1ccc(C2=C(O)C(=O)C(c3ccc(CC)cc3)=C(O)C2=O)cc1,0
S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,1
CCOP(=O)(OCC)C(C)(C)OC(=O)NC(F)(F)F,0
CN(C)CCON=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1,0
ClCc1cccnc1,0
CCO[Si](CCC1CCC2OC2C1)(OCC)OCC,0
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C/3\C=CC(=O)C(=C3)C(=O)O,1
CC(C(C1=CC=CC=C1)O)NC,0
CC(=O)c1ccc(O)c(C(N)=O)c1,0
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)cc2)ccc1F)N,0
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,1
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CC(C)P(=O)(N(C)C)N(C)C,0
CC1CCC(C(C)CS)CC1S,0
O=[N+]([O-])c1ccccc1O,0
C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O,0
Cc1ccc(C2=Nc3c(c(C)nn3-c3ccccc3)N=C(C(=O)O)C2)cc1,0
O=C1NC(=O)C(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1,0
CCOc1ccc(NC(=O)OC(C)C)cc1OCC,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc3c([nH]nc3CC)cc2)C)CN1C)c1cc(F)ccc1,0
COCCOCCOCCOc1ccc(C(C#N)N(CCc2ccccc2)C(=O)c2cc(C(=O)N(CCc3ccccc3)C(C#N)c3ccc(OCCOCCOCCOC)cc3)cc(C(=O)N(CCc3ccccc3)C(C#N)c3ccc(OCCOCCOCCOC)cc3)c2)cc1,0
CCCCOCC(C)OCC(C)O,0
c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1,0
s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
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[C@H]3O[C@@]312,0
CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N/N=C/3\C=CC=C(C3=O)C4=CC(=CC=C4)C(=O)O)C,1
O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC1C2CCC1C1OC1C2,0
C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N,0
CC(C)COP(=O)(OCC(C)C)OCC(C)C,0
CN(C)CCC=C1c2ccccc2CCc2ccccc21,0
CC(C)C(=O)OCCc1ccccc1,0
C[N@+]12CCCC[C@@H]1CCC(=C(c1cccs1)c1cccs1)C2,0
OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1,0
O=C(N1CCC(CC1C1CCCCC1)c1ccccc1)C1C[NH2+]CC12CCCc1nc(ccc12)C,1
N#CCC(=O)NN=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1,0
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C12,0
Fc1ncccc1-c1cc(ccc1)C12N=C(OC1CCCC2)N,0
O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0
CC(C)CC(C)(C)C,0
CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,0
COC(=O)C(C)=O,0
CC(=O)NC1=CC=C(C=C1)O,1
CCCCCCCC/C=C/CCCOC(C)=O,0
Nc1nc[n+](Cc2ccccc2)c2ncn(Cc3ccccc3)c12.[Br-],0
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,0
CCOCN(C(=O)CCl)c1c(C)cccc1CC,0
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N,1
O=Cc1ccccc1[N+](=O)[O-],0
CCCCOC(=O)C(C)OC(=O)CCC,0
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1,0
Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O,0
O=S(=O)([O-])SSS(=O)(=O)[O-],0
CC(C)(NC(=O)OCc1ccccc1)C(=O)OC(=O)C(C)(C)NC(=O)OCc1ccccc1,0
O(C)c1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,0
CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC,1
CCCCOC(=O)CCCCCCCC(=O)OCCCC,0
CCOC(=O)C12C3C=CC(CC3)C1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1,0
O=C(Cn1c(=O)ccn(C2OC(CO)C(O)C2F)c1=O)c1ccc(F)cc1,0
CN(C)C(=O)Oc1ccc[n+](C)c1,1
Brc1cc(ccc1)C12N=C(OC1CCCC2)N,0
ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl,0
c1ccc2[nH]c(-c3cscn3)nc2c1,0
NNC(N)=O,0
CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N/O)cc1)C1CCCCC1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,1
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,0
CCc1cc2c(c3c1CCCC3=O)CC1(Cc3ccc(C(=O)OC)cc3C1)C2,0
COc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1OC,0
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl,0
C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl,0
CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0
CCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(CCC)cc3OC)CC2)c(OC)c1,0
C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,0
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])S[C@H]3C[C@@H](O[C@@H]3COP(=O)([O-])S[C@H]4C[C@@H](O[C@@H]4COP(=O)([O-])S[C@H]5C[C@@H](O[C@@H]5COP(=O)([O-])S[C@H]6C[C@@H](O[C@@H]6COP(=O)([O-])S[C@H]7C[C@@H](O[C@@H]7COP(=O)([O-])S[C@H]8C[C@@H](O[C@@H]8COP(=O)([O-])S[C@H]9C[C@@H](O[C@@H]9COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=O)NC1=O)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=NC2=C1N=C(NC2=O)N)CO)N1C=NC2=C1N=CN=C2N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=NC1=O)N)C)SP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)SP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=NC1=O)N)C)SP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=NC2=C1N=CN=C2N)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],1
S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,1
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3OC1CC(N2CCOC(OC)C2)C(O)C(C)O1,0
O=C(O)c1ccccc1C(=O)OCc1ccccc1,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0
C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N,1
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O,1
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1,0
O=C(C[n+]1ccccc1)c1ccc(O)c(O)c1,0
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,0
O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)CCCC)cccc2)Cc1ccccc1,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C(C)C)c1cc(F)ccc1,0
CCOC(=O)c1cncn1C(C)c1ccccc1,0
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1,0
Cl.Oc1c(CN2CCOCC2)ccc2cccnc12,0
CCC(C)(CN(C)C)OC(=O)c1ccccc1,0
COc1cc(C=Nc2ccc(C(C)C)cc2)cc(OC)c1OC,0
c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1,1
CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24,1
COCCOCCOCCO,0
COC(=O)C1CC(=O)C(C(=O)OC)CC1=O,0
CCCCC(CC)COCCC#N,0
s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1,0
CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O,0
CC(=O)OC1OC(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)C(O)C(O)C1O,0
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O,0
O=C(CCl)CCl,0
Cc1[nH]nc2c1C(=O)C=C(N(CCO)c1ccccc1)C2=O,0
CCCCCCC(=O)CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1,0
CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21,0
CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O,0
COc1ccc2c3c1OC1C4(OC)CCC5(CC4C(C)(C)O)C(C2)N(C)CCC315,0
CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1,0
Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,0
CC(=O)Nc1ccc(OC(C)=O)cc1,0
O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl,0
CCCCCCCOC(=O)CCC,0
O=[N+]([O-])C(Br)Br,0
c1ccc(P(OCCCCOP(c2ccccc2)c2ccccc2)c2ccccc2)cc1,0
C/C=C/C/C=C\CCCCCCCCOC(C)=O,0
O=C1CCCN1C1CCCCC1,0
CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C,0
CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1,0
CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1,0
CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Gd+3],0
CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O,0
Nc1ccc2c3c(cccc13)-c1ccccc1-2,0
COc1ccc(CCc2ncc[nH]2)cc1,0
CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,0
N[C@@H]1C[C@H]1c1ccccc1,0
CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C,1
C=CC(=O)OCC(C)O,0
CC(=O)CC(=O)N(CCN(C(=O)CC(C)=O)c1ccccc1)c1ccccc1,0
CCC(C)c1ccc(O)cc1,0
CCCCCc1cc(CCCC)sc1-c1ccco1,0
Cc1cc(C)cc(N)c1,0
CN(C)N=Nc1nc[nH]c1C(N)=O,0
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.O.O,1
CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3,1
CCCC[n+]1cccc(C)c1,0
CC(Cc1ccccc1)NCc1ccccc1Cl,0
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O,0
COc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1,1
O=C(C[C@@H]1NCCC[C@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O,0
C/C(=C1\CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N,0
C[Si](C)(C)C(CCCCSc1ccccc1)(Sc1ccccc1)Sc1ccccc1,0
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,1
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCCC1,0
O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(NC(=O)C)ccc1)N,0
O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1O)c1cccc([N+](=O)[O-])c1,0
C1COC1,0
CCN(CC)CCOc1ccc(C(O)(Cc2ccc(OC)cc2)c2ccccc2)cc1,0
COC(=O)C=C(C)N,0
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)N(C)C,0
CC(=O)OCC12C(OC(C)=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(OC(C)=O)C21CO1,0
C(C(OC(F)F)(F)F)(F)Cl,1
O=C1CCCN1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C,1
C=C(C)C(=O)OCCOC(=O)CC(C)=O,0
COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1,0
Fc1ccc(cc1-c1cncnc1)[C@]1([NH+]=C(N)c2c1cccc2F)c1cc(ncc1)C(F)(F)F,0
C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl,0
C=C(C)C1CC=C(C)CC1,1
CC(C)N(CCO)C(C)C,0
C1=CC(=C(C=C1N)C(=O)O)O,1
CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O,0
CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N,0
C[C@H]1CNCCc2ccc(Cl)cc21,0
S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C)C)C(C(=O)NOCc2ccccc2)=C1C)C,0
F[B-](F)(F)F.[H+],0
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(nc2)CC)c1)Cc1ccccc1,1
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,1
O=[N+]([O-])C(Br)(CO)CO,0
CC(=O)NC1=CC=C(C=C1)O.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.C(CC(=O)O)C(=O)O.OP(=O)(O)O,1
CCNC(=O)Cc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1O,0
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ncccc23)cc1,0
Nc1cccc2ccccc12,0
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
COc1cccc(C2C(C(=O)Nc3cc(=O)n(C)c(=O)n3C)=C(C)NC(C)=C2C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1O,0
COCCOC(=O)c1ccccc1C(=O)OCCOC,0
COCCCNC1=C(C#N)C(=O)NC(c2cccc([N+](=O)[O-])c2)S1,0
CCCCCCCCCCCCCCCCc1c(O)nc(S)nc1C(=O)OC,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCCCCCC4C3C2=O)cc1,0
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)C(O)CN)OC[C@]1(C)O,1
CCCCN(CCCC)CCCCNc1c(C)cnc2cc(Cl)ccc12.O=P(O)(O)O,0
S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,0
N#Cc1cc2c(cc1C#N)C(Nc1cccc(N)n1)=NC2=Nc1cccc(N)n1,0
O=C(Cl)c1ccccc1[N+](=O)[O-],0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1,0
O=C(O)C(O)(c1ccccc1)c1ccsc1,0
s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
Fc1ccc(cc1OCC(F)F)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1
FCCCC(=O)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
COP(=S)(NC(C)C)Oc1ccc(C)cc1[N+](=O)[O-],0
O=C(O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,0
CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,0
NNC(=O)C(=O)NN=C(CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1,0
C1=CCC2CC=CC2C1,0
Cc1ccccc1NC(=N)NC(=N)N,0
CCCCC(CC)COCC1CO1,0
O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,0
CCCCN(CCO)CCCC,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1,1
CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O,0
[O-][n+]1cccc(/C(Cl)=N/OC[C@H](O)CN2CCCCC2)c1,0
C/C=C\c1ccc(OCC)c(O)c1,0
Cc1ncc([N+](=O)[O-])n1CCO,0
C1=CC(=C(C=C1CCN)O)O,0
Cc1ccc(C=Nn2c(Cc3ccccc3)n[nH]c2=O)cc1,0
CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC,1
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C,1
O=C(c1ccccc1)c1ccc(O)cc1O,0
CC(=O)/C=C/C1C(C)=CCC(C)C1(C)C,0
COC(=O)C1C2CCC3(C)C(OC(C)=O)CCC3C2CCC1C1(C)SCCS1,1
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0
CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O,0
C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O,0
N#CC(C#N)=NNc1cccc(Cl)c1,0
Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1,0
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1
O1CCOc2c1cc(cc2)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
C=CC1(O)CCCC2(C)C(=O)CCC12C,0
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)ccc(Cl)c34)cc2)no1,0
CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,0
C1=NC(=O)NC(=C1F)N,1
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1,0
CSc1ccc(C=O)cc1,0
CC(=O)Oc1ccc(C=CC(=O)OCCCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,0
O=C1CC[C@@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2)N1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC(O)(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0
CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,1
COC(=O)c1ccccc1NC(c1ccccn1)c1ccc2cccnc2c1O,0
Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1,0
CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32.Cl,0
C=CC[C@@H]1C=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,0
COc1cc(NCC(C#N)C#N)ccc1N=Nc1ccc(Cl)cc1,0
ClCc1ccccc1.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46,0
O=C(O)c1cccc(Cl)n1,0
CCOC(=O)COc1ccc(C)cc1,0
O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,0
C=C(C)[C@H]1CC=C(C)CC1,0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C,1
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O,0
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1,0
O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C,0
C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O,1
COc1cccc2c1[OH+][Cu-4]13([S+]=C(Nc4ccccc4)[N-][N+]1=C2)[n+]1cccc2ccc4ccc[n+]3c4c21,1
CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(CC2CC2)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1,0
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13,1
CCC(=O)N(c1ccccc1)C1CCNCC1,0
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,0
O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N,0
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccccc2)c2nc3cc(Cl)ccc3nc12,0
CN1CCN2c3ncccc3Cc3ccccc3C2C1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)C)c1cc(ccc1)C(C)(C)C,1
O=C(OCCc1ccccc1)c1ccccc1,0
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F,1
O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl,0
NCC1(CC(=O)O)CCCCC1,0
OB(O)O[Hg]c1ccccc1,0
C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F,1
Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1,0
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc(Cl)c3c(=O)c2c1,0
N=C(c1ccccc1)N(c1ccccc1)c1ccccc1,0
CC(=O)OC1CCC2C3CCC4=CC(=O)C=CC4(O)C3CCC12C,0
O=C(O)c1ccc(O)c(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)c1,0
CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,0
CCOC(=O)c1cn2ccccc2c(C(=O)c2cccnc2)c1=N,0
C=C(Cl)Cl,0
Cn1c(=O)c2c(nc(NCCCCl)n2CC(=O)O)n(C)c1=O,0
CCCOc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1,0
CCn1cc[n+](C)c1,0
S1CC[C@@](N=C1N)(C)c1ccc(OC)cc1,0
CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)[O-].[Na+],1
O=C(O)c1c(Cl)ccc2cc(Cl)cnc12,0
CCOC(=O)C(C#N)=Cc1ccccc1Br,0
Cc1ccc(C(C)C)cc2c(C)ccc1-2,0
CCOC(=O)Cc1ccccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1,1
O=C1CCC(=O)c2ccccc2N1,0
CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O,1
ClCC(Cl)Cl,0
CCCCC(O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O,0
CNc1ccc([N+](=O)[O-])cc1,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccco1,0
O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C#N,0
O=C(O)Cc1c(Cl)ccc(Cl)c1Cl,0
Cc1cc(C)cc(C)c1,1
O=C(O)C1CCCN1C(=O)c1ccccn1,0
CCC(C)(C)O,0
O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1ccccc1)N,0
CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,0
CCC(=O)OCc1ccccc1,0
CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O,1
COC1=CC(=O)C2C3Cc4ccccc4C3C2(C)C1=O,0
C1CCC(CC1)[C@@H]2C[C@H](N(C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O,1
CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,1
[Cr],1
O=C1C=CC(=O)N1c1ccccc1,0
Cc1ccc(Cc2nn(C)c(=O)n2-n2cccc2)cc1,0
NC(=O)C1=NOC(C(N)=O)C1C1OC(CO)C(O)C1O,0
N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)NCc1ccccc1,0
Cc1oc2c(c(=O)c1C)CN(Cc1ccccc1)CC2,0
C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,1
CC(C)CCCC(C)N,0
O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC,1
Clc1scc(c1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1
C=CCNC(N)=S,0
CN1C(=O)C(=O)n2c(cc3ccccc32)C1=O,0
CC(C)(C)N(CCO)CCO,0
CCCCCCOC(=O)C(C)C,1
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CC)Cc1ccccc1)C,1
Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,0
O=C(O)/C=C(\CC(=O)O)C(=O)O,0
CCOC(=O)C(C)S(=O)(=O)O,0
CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,0
O=C1C(=Cc2ccccc2)Oc2cc(O)ccc21,0
Nc1nc(Cl)nc(Cl)n1,0
C1CC1C2=NC3=CC=CC=C3C(=C2C=C[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F,1
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,0
CCCC1CCCC(=O)O1,0
O=[Se](O)O,0
CNC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCCOCCOCC[18F],0
C1C(OC(S1)CO)N2C=CC(=NC2=O)N,1
CC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C,0
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,1
Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N,0
CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,1
CN(C)c1ccc(C=C(C#N)c2ccc(Cl)cc2)c(Cl)c1,0
O=C1C(=Cc2ccccc2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1,0
COc1ccc(O)c(C(C)(C)C)c1,0
c1cc2nnsc2s1,0
CC(C)C(Br)C(=O)NC(N)=O,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,1
O=C(Nc1ccc(C2=NC3CCCCC3N2)cc1)c1ccc(C(=O)Nc2ccc(C3=NC4CCCCC4N3)cc2)cc1,0
CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,0
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,1
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,1
CCC/C=C/C=O,0
Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
C1[C@H](CN2[C@@H]1C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O,1
CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C,1
Nc1cc[nH]c(=O)n1,0
O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(C)C,1
CC(=O)OCC(C)OC(C)=O,0
C(CS)N,1
CC(C)NC(=O)NC(C)C,0
CCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,0
Clc1sc(cc1C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1)C,0
Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1,0
CC(C)OC(=O)c1ccccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1,1
O=[N+]([O-])c1ccc(O)c2ncccc12,0
CCCCCCCCCBr,0
CCOC(=O)C1Cc2ccc(OC)cc2C2=CC(=O)CCC21,0
C=C1C2CCC(C)(C)C1CCC(=O)C2C(=O)OC,0
N#CC1(N)CCCCC1,0
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,0
COC1=C(c2c[nH]c3ccc(CC=C(C)C)cc23)C(=O)C(OC)=C(c2c[nH]c3ccc(CC=C(C)C)cc23)C1=O,0
O=C(O)C(O)=C1C=C(c2ccccc2)c2ccccc21,0
CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc(OC)o1,0
O=[Zr](Cl)Cl,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(-n2nccn2)ccc1,0
COc1cc(Cc2nnc(Nc3ccccc3)nc2O)cc(OC)c1OC,0
CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,0
CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1,0
C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O,0
CCOC(=O)c1c(C)cc(C)nc1S[Sn](Br)(Br)Sc1nc(C)cc(C)c1C(=O)OCC,0
O=C(O)c1cc(=O)c2c([nH]c3ccccc32)s1,0
CCC(C(=O)OCCN(CC)CC)c1ccccc1,0
CCCNC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0
Clc1ccccn1,0
CCCCCCCCCCCCN(O)C(=O)c1ccccc1,0
COCCCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1,0
CN(C)c1ccc(N=Nc2ccccc2)cc1,1
N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1,0
Cc1cc(Cl)cc(S)c1S(=O)(=O)Nc1nnc2c3ccccc3cnn12,1
CCN(CC)CC.O=C(Nc1ccc(Cl)cc1)P(=O)(O)c1ccccc1,0
CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1,0
CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O,0
O=c1oc2ccccc2c(O)c1-c1cccc2ccccc12,0
Cc1cc(OI)c(C(C)C)cc1-c1cc(C(C)C)c(OI)cc1C,0
CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,1
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC2OC2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O,0
O=C(NCC1CCCCC1)CCc1cc2c(nc1N)cccc2,1
Cc1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2c(C#N)c1C,0
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,1
NCC1(Cc2noc(=O)[nH]2)CCCCC1,0
CN(C)c1nc(N(C)C)nc(N(C)C)n1,0
O1c2cc(ccc2OC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0
CCN(CC)C(=O)c1cccc(C)c1,0
CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C,1
O=c1[nH]c2ccc(O)cc2o1,0
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
O=C1c2c(c3c4ccccc4n(COCCO)c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1,0
NNC(=O)c1ccccc1,0
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@]314,0
O=C(c1ccccc1)c1ccccc1O,0
Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,0
O=C1C(=NO)C(c2ccccc2)Oc2ccccc21,1
COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1,1
CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1,0
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,0
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O,0
CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(Cl)cc1,0
CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C,0
CCCCCCCCCCCCCCCCC,0
C=CCn1c(N)c(C#N)c(C#N)c1CCC,0
O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1,0
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O,1
CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1,1
C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl,1
CCCC(Cl)=NOC(=O)Nc1cc(C(F)(F)F)ccc1OC,0
O=c1c(-c2ccc3c(c2)OCO3)coc2c3c(ccc12)OCO3,0
CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,1
Cc1ccc(Nc2nc3c(=O)n(C)c(=O)n(C)c3nc2Nc2ccc(C)cc2)cc1,0
CC(C)(C)c1nc2c(o1)C(=Nc1ccccc1)c1ccccc1C2=O,0
CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2,0
Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C(F)F,1
CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1,0
Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1,0
C(C1C(C(C(C(O1)O)F)O)O)O,0
[CH2-][N+](=O)CCC1(O)CC(n2ccc(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,0
O=C(Nc1ccccc1)c1ccccc1O,0
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl,0
C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1,1
Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1,0
Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl,0
OC1(c2ccc(Cl)cc2)CCNCC1,0
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O,1
C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-],0
CC1C2CC(CC2(C)O)C1(C)C,0
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1
C=CCOc1cc(Cl)ccc1C(=O)NCCN(CC)CC,0
O=C(N[C@H](c1ccccc1)[C@@H]1CN2CCC1CC2)c1c(Cl)ccc(C(F)(F)F)c1Cl,0
CCCCCNCCCCC,0
O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)CC=1CCC=CC=1,1
Cc1ccc2c(c1)C1CN(C)CCC1N2,0
O1c2c(cc(cc2)-c2cccnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
S1(=O)(=O)CC(Cc2cc(ccc2)COCCC)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
CCCCSCCCC,0
N#Cc1c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)c(Cl)c2)nn(CC(=O)O)c1=O,0
Cc1ccc(Nc2nc(C)c(C(=O)CC(=NNC(N)=S)C(=O)Nc3ccc(Cl)cc3C)s2)cc1,0
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,0
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC,1
CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)[O-],1
CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C,1
N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c1[nH]c1ccc(C(F)(F)F)cc12,0
CCOC(=O)c1ccc(C(=O)C(C(=O)OC(C)(C)C)=C2CCCN2C)n1C,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CC1CC1)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,0
CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC,1
CC(NC(=O)CNC(=O)CCCCCC(=O)NCC(=O)NC(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1,0
O=C1C(CN2CCCCC2)CCCC1CN1CCCCC1,0
O=C(CCN1CCN(CCO)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,0
CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1,0
COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,0
CCS(=O)(=O)CCSP(=O)(OC)OC,0
C[C@H](N)C(=O)c1ccccc1,0
CC1CN2SN1CC2C,0
O=C(O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2ccc(Cl)cc21,0
Sc1ccccc1,0
CC(=O)OC(C)(C)Cc1ccccc1,0
COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1OC,0
CC=CCC#N,0
S1(=O)(=O)CC(Cc2cc(-c3n[nH]cc3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
COc1cc2c(c(OC)c1OC)C(=O)C1C2N1C(N)=O,0
C=CC(C)(CCC=C(C)C)OC(=O)C=Cc1ccccc1,0
CC(C)c1ccc2c(c1)CCC1C2(C)CCCC1(C)C(O)c1ccccc1,0
CNC1(C)C2CCC(C2)C1(C)C,0
CCOC(=O)c1ccc(O)cc1,0
CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,1
Cc1ccc(N)cc1S(=O)(=O)O,0
ON=C1C(=Cc2ccccc2)CCCC1C(NO)c1ccccc1,0
CCCCCCN(CCCCCC)C(=S)NP(=O)(OCC)OCC,0
CC(C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)C)CCSCC(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)N,0
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(=O)[C@@H]([C@H](C(=O)C)O)O,1
O=C1C2CC=CCC2C(=O)N1n1c(-c2ccccc2)n[nH]c1=O,0
CCCCC(O)c1ccccc1,0
OCCO[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,1
CCC1/C=C(/C(C/C=C/C=C(\C(=O)OC(C/C=C(/C=C(/C1OC2C(C(C(C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)C(C)O)/COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C,1
COC(=O)C1=CC(=O)OC1(OO)c1ccc(Br)cc1,0
CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21,0
CCC(=O)[O-],0
CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12,0
ClCCOCCOCCCl,0
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@@H](OC(C)=O)C(=O)O[C@@H]12,0
CC1(Cl)C(=O)NC(=O)N(C2CC(O)C(CO)O2)C1N=[N+]=[N-],0
CN(C)C(=O)C(CC[NH+]1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4,0
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,1
C1CN(P(=O)(OC1)NCCCl)CCCl,1
Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC)cc1,1
Nc1ccc(N)c2ccccc12,0
[N-]=[N+]=C(C(=O)C(=[N+]=[N-])C(=O)c1ccccc1)C(=O)c1ccccc1,0
COc1ccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)cc1,0
O=C(O)c1c(-c2ccccc2)nn2c1ccc1ccccc12,0
CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1,0
N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1,0
CN(C)c1ccncc1,0
COc1ccc(C=O)cc1,0
CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0
Cc1cccc2nccnc12,0
CCOC(=O)C1=NN(c2ccc(Cl)cc2)C2=CC(C)=NN(C)C(=S)N21,0
CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2,1
Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,0
CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,1
Cl.NC(CSSC(C(=O)O)C(SSCC(N)C(=O)O)C(=O)O)C(=O)O,0
I.O=C(O)c1ccc(C=NN(CCO)C2=NCCN2)cc1,0
CC(=O)NC(CCC(N)=O)C(=O)O,0
CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O,1
C=C1CC(c2ccc(S(=O)(=O)N3CCOCC3)cc2)OC1=O,0
c1cc[n+]2c(c1)-c1cccc[n+]1CC2,0
S=C([S-])NCCNC(=S)[S-].[Mn+2],0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C,1
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,0
Cc1cccc(NC(=O)C(=NN)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1C,0
O=[N+]([O-])c1ccc(C2N3CCCCC3C3CCCCN32)cc1,0
O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cncnc1,0
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,1
CCN(CCCl)CCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,0
O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,1
c1ccc(B(c2ccccc2)c2ccccc2)cc1,0
CC(=O)Oc1c(N2CCCCC2)c(C(=O)c2ccccc2)c(O)c2ccn(N(C)C)c12,0
FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC,0
CCCCCCCCCCCCCCCCn1cc[n+](C)c1,0
Cc1cc(C)nc(NC(=O)Nc2ccccc2)c1,0
s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1,1
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CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,0
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[O-][n+]1ccccc1SSc1cccc[n+]1[O-],0
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OC1CCN(Cc2ccccc2)CC1CNC12CC3CC(CC(C3)C1)C2,0
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C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O,1
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NNc1nc(-c2ccc(N)cc2)cs1,0
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Brc1cc2ccccc2c2ccccc12,0
COC(=O)C1CN=CN1CCc1ccccc1,0
COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12.Cl,0
Nc1ccc(Cl)cc1C(=O)c1ccccc1F,0
O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
C1CCC(C(C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2],1
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CC(O)COc1ccccc1,0
CS(=O)(=O)OCCCSCCSCCCOS(C)(=O)=O,0
CN1CCC(OC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CC1,0
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BrC1C2(SCCS2)C2CC(c3ccccc32)C12SCCS2,0
Cn1cnc([N+](=O)[O-])c1Sc1nccn1-c1ccccc1,0
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CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1,0
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1,0
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Nc1nc(Cl)cc(NCC2(O)CCC2)n1,0
COc1ccc(C=O)cc1OC,0
CC(=O)NCCCS(=O)(=O)O,1
CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34,0
CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O,0
CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1,0
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CC(C)c1ccc2ncccc2c1,0
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CCCCON1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C(F)(F)F)C1,1
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CCCCCOC(=O)CCCCC,0
CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2,0
c1coc(Cn2cccc2)c1,0
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CN(C)CCN(C)CCN(C)C,0
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NC(=O)NO,0
CN/C=N/c1ccc(C)cc1C,0
COC(=O)c1nc(Cl)c(Cl)nc1N,0
CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,0
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[NH2-].[NH2-].Cl[Pt+2]Cl,1
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,0
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1,0
s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
s1ccnc1N1S(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)C1)c1cc(F)ccc1,0
Oc1ccc(O)cc1,0
C[C@@H](C(=O)N1CC2=CC(=C(C=C2C[C@H]1C(=O)O)OC)OC)N[C@@H](CCC3=CC=CC=C3)C(=O)O,1
Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2cc(F)ccc21,0
CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N,1
CCCc1ccccc1O,0
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CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,0
CCCCCCCCC/C=C/CC1CC(=O)OC1=O,0
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CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H]([C@H](NC(=O)C2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O,1
C(CCl)NC(=O)N(CCCl)N=O,1
Cc1cc(N)n(-c2ccccc2)n1,0
COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F,1
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)O,0
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CC(C)(C(C(=O)O)N)S,1
CC(=O)CC(C)(C)O,0
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CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1OC(N2C=CC(N)NC2=O)CC1F,1
NC(=O)C12C(=O)NC(=O)C1(C(=O)O)C21CCCC1,0
CC(=O)Oc1c(C)c2c(c3ncccc13)OC(C)C2,0
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C[Si](C)(C)OC1(C#N)C2C3CC4C2C(=O)C2C4C3C21,0
NCCCC1CCCCNC1,0
Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,1
CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12,0
COc1ccc(CCCN2c3ccccc3Sc3ccccc32)cc1,0
Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,0
C(C(=O)O)C(CC(=O)O)(C(=O)O)O,1
CC(C)CCCO,0
S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
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CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C,1
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C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5.Cl,1
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Cc1ccc(O)c(C(C)(C)C)c1,0
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c1ccc(CNCCNCc2ccccc2)cc1,0
COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,0
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[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(C#N)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0
Nc1c[n+](N2CCOCC2)no1,0
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO,1
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(OC)ccc1)C,1
CCOC(=O)O[C@@]1(CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl,0
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O=C(O)CCSCc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(CSCCC(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH],1
C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,1
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CCC(=O)OC1(c2ccccc2)CCN(C)CC1,0
Cn1cc2c(n1)c(NN=Cc1ccccc1)nn1nnnc21,0
Cc1nc(N)c2cnn(C)c2n1,0
C=CC(=O)OCC(CC)CCCC,0
CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N,1
CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
C(=O)(N)NO,1
O=C(c1ccccc1)c1cc2c(nc1O)CCCCCC2,0
Fc1ccc(C=C2COCC3=C2NC(=S)NC3c2ccc(F)cc2)cc1,0
CCP1(=S)OC(C)CCN1C(C)C,0
O=c1[nH]c2ccc(Cl)cc2o1,0
Cc1ccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)c(C)c1,0
NNCCc1ccccc1,1
[Cu],0
COC(=O)C(CCSc1ccccc1)C(=O)OC,0
CC/C=C\CC1=C(C)CCC1=O,0
CC(C)(CC1=CC=CC=C1)N,0
O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,0
C=C1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C,0
COC(=O)Nc1ccc(Cl)c(Cl)c1,0
CCCN[C@H]1CCc2nc(N)sc2C1,0
c1ccc2c3c([nH]c2c1)C1CCCN1CC3,0
Sc1nc2ccccc2s1,0
CC1(C)CCCC2(C)C1CCC13CC(C)(CCC21)C3CO,0
COc1cc(CCN)c(OC)cc1Br,0
CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,0
CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1CC)c1cc(F)ccc1,0
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CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O,0
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12,1
Cc1c(Cl)cccc1Cl,0
CC1(C2C(C3C(C(=O)C(=C(N)[O-])C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.CC1(C2C(C3C(C(=O)C(=C(N)[O-])C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.[Ca+2],0
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CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,0
O=C1CCCc2c(O)cccc21,0
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CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C,0
Nc1ccccc1C(=O)Oc1ccc2ccccc2c1,0
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O=C(Nc1cccc([N+](=O)[O-])c1)C(=NNC(=O)c1ccncc1)c1nc2ccc([N+](=O)[O-])cc2nc1O,0
CCCCCCOC(=O)c1ccccc1,0
FC(F)(F)c1ccccc1,0
OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C,0
c1ccccc1,0
O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C,1
CC1=CC(=O)CC(C)(C)C1=O,0
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl,1
O=C(O)c1ccccc1-n1cc(C(=O)O)c(=O)c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc21,0
NC(=O)NC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1,0
O=C(N=C1OC2C(OC(=O)c3ccccc3)C(COC(=O)c3ccccc3)OC2N1C(=O)c1ccccc1)c1ccccc1,0
CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-],1
CCCCOCCOCCOC(C)=O,0
Oc1ccc(cc1C1CCCCC1)CC[NH3+],1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1,0
C1CNP(=O)(OC1)N(CCCl)CCCl,1
Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1,0
O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1,0
CCCC(=O)OCCc1ccccc1,0
CC1=C2N=C(C=C3N=C(C(C)=C4N([Co+]C[C@H]5O[C@@H](n6cnc7c(N)ncnc76)[C@H](O)[C@@H]5O)C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])O[C@@H]4[C@@H](CO)O[C@H](n5cnc6cc(C)c(C)cc65)[C@@H]4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O,0
CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1,1
CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,0
CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C,1
CC(C)(C(=O)c1cccnc1)c1cccnc1,0
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,0
Clc1cc2c(n(cc2C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cc(OC)ccc2)C(=O)N(CCCC)C)cc1,1
O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,0
C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,1
FC(F)(F)C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1)C(F)(F)F,0
CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-],1
Cc1ccc(NC(=O)c2cnccn2)c(=O)o1,0
CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl,1
CCNCC(O)c1cccc(O)c1,0
Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1,1
Nc1c2c(nc3ccccc13)CCCC2,0
CC(C)Cc1ccc(C(C)C(=O)O)cc1,0
O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,0
N#Cc1cccc(N(C(=O)c2ccccc2)c2ccccc2)n1,0
CC(=O)O.C1CC[C@H]2[C@@H](C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)C6C[C@H](CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,0
CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1
Fc1cc(cc(c1)C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
Clc1cccc(Cl)c1,0
NC(=O)N1c2ccccc2C=Cc2ccccc21,0
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C,1
FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1,0
CNC(=O)NC(O)C(Cl)(Cl)Cl,0
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C)ccc1F)N,0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-],1
O=CNc1ccccc1,0
CCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCC)c4c3O)c(O)c12,0
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,0
CCC(C)=NO,0
Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1,0
CC(C)C[S+]1C2=C(CC(C)(C)CC2=O)[N-]c2ccccc21,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCCC1,0
Cl[Sb](Cl)Cl,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N,0
CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C,1
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl,0
Cc1ccc(OC(=O)CC(C)C)cc1,0
O=c1nc([O-])n(Cl)c(=O)n1Cl,0
Cn1cnc([N+](=O)[O-])c1Sc1nc2cccnc2s1,0
O=C(NC1CCCCC1)NC12CC3CC(CC(F)(C3)C1)C2,0
CC(=O)Nc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1,0
Oc1ccc2c(c1)Cc1ccccc1-2,1
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,1
FC(F)(F)CCCc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
NC(=O)NN=C1CC2CCCCC2C1,0
CCC(CCCCC1CCC2CC(=O)CC12)OC,0
COc1cc(C(C)=O)cc(C(=O)N(C(C)C)C(C)C)c1[Si](C)(C)C,0
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,0
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)C3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1C(C2)[N+](C)(C)CC3,0
CC(=O)N=C1N(C)C(=Cc2ccc(NC(C)=O)cc2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,0
O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O,0
C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N,1
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1,0
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,0
CCSC(CCCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O)SCC,0
CCOC(=O)C(=O)Nc1ccccc1C,0
COC(=O)NN=C(C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O,0
S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1,0
CCOC(=O)Cn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1,0
O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N,0
CC(C)NC(=O)c1ccc(C=O)cc1,0
Clc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CCCCCCCCCCCCCCCCCC(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,1
CCOC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC,0
OCCCCO,0
CCCOCC(C)O,1
c1cc(OCC2CO2)cc(OCC2CO2)c1,0
CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1,0
s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1nccnc1,1
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1,0
COc1cc2c(cc1OC)C(=O)C(CC3CCN(C)CC3)C2,1
COc1cc(N)ccc1C,0
O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)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,0
CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)C(=O)[O-])c2cc1)(C)C,0
CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O,1
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](C4C=C[C@H]3C4)C1(Cl)C2(Cl)Cl,0
O=S(=O)([O-])c1ccc2c(/N=N\c3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1,0
O=C1N(CCCCCC)C(=NC1(C1CCCCC1)c1ccccc1)N,0
CC1(CO)CN(c2ccccc2)NC1=O,0
Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
O=C1N(C)C(=NC1(c1cc(ccc1)-c1nccnc1)c1ccncc1)N,1
CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1,0
CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c2ccccc21,0
C1CN2CCC1CC2,0
O=S1c2ccc(Cl)cc2CC(SSC2Cc3cc(Cl)ccc3S(=O)c3ccccc32)c2ccccc21,0
C[C@@H](C(=O)O)N.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N,1
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,0
O1c2ncc(cc2C([NH2+]CC(O)C2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2)CC(C)(C)C,1
O=C1NC(N2CCOCC2)=NC1=Cc1ccccc1O,0
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,0
CCCCCCCCCCC1CO1,0
Cc1cc(O)c(Cl)cc1C,0
CCc1cc(C(N)=S)ccn1,0
Cl.NC1c2c(Br)sc(N3CCCC3)c2C(=O)C1O,0
S1(=O)CC(Cc2cc(OC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1,0
COc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2)cc1OC,0
O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1,0
Fc1c2c(ccc1)[C@@]([NH+]=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC,1
CC(c1cc2ccccc2s1)N(O)C(N)=O,0
COC12CCCN1c1ccn(Cc3ccccc3)c(=O)c1C2=O,0
CC(C)CC#N,0
CN(C)CCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1.Cl,0
COC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,1
C=C=CC(C)(O)c1ccc(-c2ccccc2)cc1,0
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,1
c1ccc2c(c1)CCCC2,0
C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O,1
Cc1ccnc2[nH]c3ccccc3c(=O)c12,0
C1CCC(NC2CCCCC2)CC1.COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NCC(=O)O)cc1,0
OCCNc1nnc(NCCO)c2[nH]cnc12,0
CCOC(=O)n1c2ccccc2c(=O)n1CCO,0
COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1,0
Cc1cccc(C)c1NC1=NCCCS1,0
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,0
CCCCCCCCC=CCCCCCCC(F)C(=O)O,1
CC1(C2CCC(C2)C1(C)NC)C,0
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-],1
CCCCCCCCCc1ccc(O)cc1,0
CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,1
COC(=O)C(=NNC(C)(C)C)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)cc1C,0
C1CCCCCCCCCCC1,0
OCCN(CCO)c1cccc(Cl)c1,0
N#Cc1c2c(c(Cl)n3c1nc1ccccc13)CCCC2,0
FC(F)(F)c1ccc(cc1)\C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0
Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O,0
COCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O,1
O(c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1)C1CCCC1,1
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1
O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2],0
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,0
CCCCO[PH](=O)OCCCC,0
CCOc1ccc(C=CC(=O)c2sc(NNC(C)=O)nc2C)cc1,0
Clc1ccc(nc1)C(=O)Nc1cc([C@]2([NH+]=C(N)[C@@H]3[C@H](C2)C3)C)c(F)cc1,1
CCOC(=O)C(=Cc1cccc(Br)c1)C(=O)OCC,0
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,1
S=P(N1CC1)(N1CC1)N1CC1,0
CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O,0
O(C)c1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0
CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,0
C1=NC2=C(N1)C(=S)N=C(N2)N,1
Cn1c([N+](=O)[O-])cnc1COC(N)=O,0
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,0
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0
O=Cc1ccccc1,0
O=C1C(=Cc2ccccc2)CN(C(=O)Oc2ccc(Cl)cc2)CC1=Cc1ccccc1,0
Brc1cc(cc(F)c1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O,1
NCCOCCN,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccc(cc1)C)N,0
COc1cc2c(cc1OC)C[N+]1(C)CCc3cc(OC)c(OC)cc3C1C2,0
COc1cc(NCCCC(C)N)c2ncccc2c1,0
O=C1N=C(S(=O)(=O)O)NNC12c1ccccc1-c1ccccc12,0
O=C(NC1CC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1,1
C/C=C(\C)C(=O)OCc1ccccc1,0
Cc1cc(=O)n(-c2ccccc2)n1C,0
O=[N+]([O-])c1ccc(NCCO)c(OCCO)c1,0
O=C1Cc2ccccc2N1N=Cc1ccc(O)cc1,0
NCC(CC(=O)O)c1ccc(Cl)cc1,0
CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,0
CCCCCCCCCCCCCCCC,0
Cc1cc(C)c(S(=O)(=O)[O-])cc1N=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1O,0
Cc1cc2c(ccc3c(C)cc(=O)oc32)o1,0
CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I,0
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,0
CCCCOC(=O)[C@H](C)O,0
CCCCC(CC)C(=O)OC(C)C,0
C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O,1
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1,0
CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O,1
O=c1oc2ccccc2n1CCCn1c(=O)oc2ccccc21,0
CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21,0
Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2N3)cn1,0
C=CCOc1ccc(CC(=O)O)cc1Cl,1
COC(=O)C(Cc1ccccc1OC)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,0
C/C(Cl)=C/CCl,0
CC(NNC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1,0
CN(C)CCSc1ccc(-c2ccc(-c3ccc(SCCN(C)C)cc3)nn2)cc1,1
Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1
C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,1
C=CC1CC2C=CC1C2,0
CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,0
CCOP(=O)(OCC)SCCSCC,0
O=C(c1ccc(O)cc1)c1ccc(O)cc1O,1
S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,1
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,0
CC(C)CP(=S)([S-])CC(C)C,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CC(N)C(=O)O.Cl,0
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1,1
C#CCSc1nnnn1-c1ccc(Br)c(C)c1,0
CCOC(=O)c1ccccc1,0
CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1,0
NNc1ccc(C(=O)O)cc1,1
CC1OCC2C(O1)C(C(C(O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O,1
COC(=O)Nc1nc2cc(S(=O)c3ccccc3)ccc2[nH]1,0
CCOC(=O)C=C1CC(NC(=O)OCc2ccccc2)C(=O)N1CC(=O)OCC,0
Cc1cc(C)c(C(=O)O)c(C)c1,0
CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,0
O=CN1CCOCC1,0
CCC(C1=CC=CC=C1)C(=O)O,1
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1,0
OC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc2ccccc2o1,0
C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O,0
CCCCCCC(C)(C)S,0
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N4CCCC4)C3=O)N1CC1NC12,0
CSC(=NC(=O)c1ccccc1Cl)SCCSC(=NC(=O)c1ccccc1Cl)SC,0
NCCCNCCCN,0
CP(=O)([O-])OCCC[Si](O)(O)O,0
CCc1cccc(O)c1,0
Clc1cc(cc(Cl)c1NC(=O)C(C)C)CNC(=[NH2+])NC(=O)Cn1c2c(cccc2)cc1,0
CCN(CC)C(C)=O,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C,1
CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,1
c1ccc(SC(Sc2ccccc2)=C2CCC2)cc1,0
O=C1CC(c2ccccc2)NCN1,0
C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl,1
CC(C)(C)Nc1noc(=O)n1C(C)(C)C,0
CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC,0
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)N)C(C)O)CO,1
Cc1c2ccccc2c(C)c2c1ccc1ccccc12,0
CCCC[Sn](CCCC)(CCCC)CCCC,0
COC(=O)CCCC(=O)OC,0
O=C(C=Cc1ccc(Cl)cc1Cl)c1cccs1,0
N=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1F,1
NCCCNCCNCCCN,0
CC1=CC(C)=Nc2ccccc2N1.O=S(=O)(O)O,0
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C,0
O=c1[nH]c(=O)n(C2CCCO2)cc1F,0
CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl,0
CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O,0
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1,1
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC)N,0
CCCCCCCCCCCCCC,0
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[NH+](CC)CC)I,1
N[C@@H](COP(=O)(O)O)C(=O)O,0
Clc1ccccc1-c1ccccc1Cl,0
[N-]=[N+]=Nc1ccc(CNc2cc(O)nc(O)n2)cc1,0
C(C(CO)(CO)N)O,1
CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C,1
COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,1
O=[N+]([O-])C(C=C(Cl)n1nnc2ccccc21)=C(Cl)n1nnc2ccccc21,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)C)c1ccccc1)C,1
CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,0
O=[N+]([O-])c1cn(F)c([N+](=O)[O-])n1,0
CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC,1
ClCC(Cl)(Cl)Cl,0
CCOC(=O)C1OC1(C)c1ccccc1,0
Oc1nc2c(c(-c3ccccc3Cl)n1)COCC2=Cc1ccccc1Cl,0
C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N,1
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1,0
CONC(C)=O,0
C=CCc1ccccc1O,0
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,1
O=C1NC(=O)C(=Cc2ccc(-c3ccccc3)cc2)C(=O)N1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)CCOC2)C)c(F)cc1,1
Nc1ccc(C(=O)Nc2ccccc2N)cc1,1
Cl.OC1CN2CCCC(O)C2C(O)C1O,0
CN1C(=O)C(C)(C2=CCCCC2)C(=O)N=C1O,0
CCCCCCCCCCCCCCCCCCCl,0
COP(=O)([O-])OC.Cn1cc[n+](C)c1,0
CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3c[nH]cn3)CCC12,0
CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,0
CCCCCCCCC(=O)Cl,0
CC1Cc2c(-c3ccc(O)c4ccccc34)c(O)cc(O)c2C(C)N1,0
Fc1ccccc1,0
CSC(SC)=C1C(=O)N(c2ccccc2)N=C1C,0
CC(=O)c1c(O)c2ccccc2oc1=O,0
CCCCCCCCCCC=O,0
CCOC(=O)C(=O)c1csc(NC=O)n1,0
CCc1n[nH]c(=O)n1N,0
CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,0
CCOC(=O)c1cc(I)c(-c2cc(C)no2)n1C,0
CCC1(CC)C(=O)NC(=O)N(C)C1=O,0
S=c1[nH]cnc2[nH]cnc12,0
CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CO2,0
CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,0
NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1,1
C[Si](C)(CCCN)O[Si](C)(C)CCCN,0
N=C(N)N1CCc2ccccc2C1.N=C(N)N1CCc2ccccc2C1,0
C=C(C)OC(C)=O,0
CC(C)(Oc1ccc(Cl)cc1)C(=O)O,0
Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2,1
CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,0
COc1ccc(Nc2cc(N)nc(N)n2)c(S)n1,0
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O,1
O=C(Cl)OCc1ccccc1,0
COc1ccc2c(c1)OCC1c3ccc(OCc4ccccc4)cc3OC21,1
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCCNC(=N)N)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1,1
C(C1C(C(C(C(O1)O)O)O)O)O,0
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O,1
CC(C)=CC(=O)CC(=NNC(N)=S)C(=O)Nc1ccc(Cl)cc1,0
COC(=O)c1ccccc1C1CN=NC12Cc1ccc3c(c1C2=O)CCC3,0
CCOP(=O)(N=C1SCCS1)OCC,0
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC,1
Clc1ccc(Cl)c(Cl)c1Cl,0
O=S(=O)([O-])c1cccc2ccccc12,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOCOC1,0
S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1,1
CC[N+](C)(C)Cc1ccccc1Br,0
C=C/C(C)=C/C/C=C(\C)CCC=C(C)C,0
Cc1cccc(N=Nc2ccc(O)c(CN(C)C)c2)c1,0
CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]2CC1,0
Cn1c(=O)c2c(nc3sc4ncccc4c(=O)n32)n(C)c1=O,0
Cc1ccc(NC=O)c(-c2c(N)nc(S)nc2O)c1,0
CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I,0
COc1ccc(N)c(C)c1,0
CCC(CO)NCCNC(CC)CO,1
Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1,0
CCCCC=O,0
CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1,0
CCCCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCCC)C1,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1
O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1,0
CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,1
CCC1CC2CN3CCc4c([nH]c5ccc(OC)cc45)C(CO)(C2)C13,0
Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1,1
COC1=CC(=O)C2C(C1=O)C1c3ccccc3OC(C)(C)C21,0
C=CCCC1CCCNC1=S,0
COc1ccc2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,0
s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CCC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0
C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N,1
O=C(NN=Cc1ccccc1)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccccc1,1
COC=Nc1cn2c(n1)CN=C2,0
CCOP(=O)(Nc1ccccc1CC)OCC,0
CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31,1
CCN1CCC(O)(C=Cc2ccc(Cl)c(Cl)c2)C(C(=O)C=Cc2ccc(Cl)c(Cl)c2)C1.Cl,0
O=C1c2ccccc2C(=O)c2ccccc21,0
N#CC12CC(C=O)=C(N)C1(C#N)CC(C=O)=C2N,0
COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC(C)C)N,1
C[C@H]1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C,0
CCC(C(=O)C(=O)C(CC)P1(=O)OC(C)(C)CN1C(C)(C)C)P1(=O)OC(C)(C)CN1C(C)(C)C,0
C1=CC=C2C(=C1)C=NN=C2NN,1
[O-]c1ccccc1-c1ccccc1,0
s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)(C)C,0
CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4CC(=O)O)ccc3o2)n1,0
CC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl,0
CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC,0
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5,1
CC(=O)OC(C)(C)C,0
C[Sn](Cl)(Cl)Cl,0
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1,1
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-],0
O=c1c2ccccc2c2nccc3c4ccccc4n1c32,0
O=C(O)c1ccc[n+]([O-])c1,0
Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1,0
NC(=O)c1ccccc1N,0
CC=Cc1ccc(O)c(OC)c1,0
NC(=O)CC[C@@H](N)C(=O)O,0
O=C1CC(c2ccc(Cl)cc2)CC(=O)N1,0
CCOc1ccccc1Nc1nc(C)c(C(=O)CC(=O)C(=O)Nc2ccccc2)s1,0
COc1cc(C=C2CCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,0
CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,0
O=Cc1cc(O)ccc1Br,0
CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1,0
O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21,0
N#CC(C#N)=Cc1ccc(SCc2ccc(Cl)cc2)cc1,0
CCCSC1=NC2=C(C(=N1)N[C@@H]3C[C@H]3C4=CC(=C(C=C4)F)F)N=NN2[C@@H]5C[C@@H]([C@H]([C@H]5O)O)OCCO,0
O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cccnc1)c1cc(ncc1)C)N,1
CC(=O)C1(c2ccccc2)CCCN(C)CC1,0
CN[C@@H](C)Cc1ccccc1,0
CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,0
F,0
CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,0
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,0
CC(C)(C)OC(=O)NCC(=O)NC1CC(=NO)c2sccc21,0
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C,0
C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,0
Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1,0
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,0
s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F,1
s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cc(OC)cnc1,1
CN(C)C12CCCCC1S(=O)(=O)C2,0
CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1,0
Cc1[nH]c(=N)sc1C(=O)C=Cc1ccc2c(c1)OCO2,0
C=C(C)C(=O)OCCOc1ccccc1,0
CC=CCC(C)C(OS(=O)(=O)O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C.[NaH],1
Cc1cc(-c2c(Br)cc(C(=O)O)n2C)on1,0
Cc1c(NC(=O)CCl)c(=O)oc2c(C)c3occc(=O)c3cc12,0
O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C,1
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,0
O=c1[nH][nH]c2ccccc12,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC(C)C,1
O=C(O)CC(C(=O)O)S(=O)(=O)O,0
CC(=O)N=c1sc(S(N)(=O)=O)nn1C,0
Fc1ccc(cc1C#CCF)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1
CC[C@H]1CC[C@H](NCc2cc3c(cc2OC)[C@H]2C[C@H]2C(=O)N3C)[C@H](c2ccccc2)N1,0
O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,0
CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,0
CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34,1
ClCC1CO1,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC12CCN(O)CO2,0
CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
C#CC(O)CCCCC,0
CCCN(CCC)CCc1c[nH]c2ccccc12,0
C[C@@H](O)C(=O)O,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)CC,1
NC(=O)N1c2ccccc2CC(=O)c2ccccc21,0
CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,0
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N6CCC[C@H]6C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)CC7=CC=CC=C7)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCC(=O)N)[C@@H](C)O)CC8=CC=CC=C8)C(C)C)CC9=CC=C(C=C9)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)C)CCCCN)[C@@H](C)O)CC1=CC=C(C=C1)O)CCC(=O)O)CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC1=CC=C(C=C1)O)CCCNC(=N)N)[C@@H](C)CC,1
N#CCCN(c1ccc(C=Nc2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1,0
C[N+]1([O-])CCOCC1,0
O=C(O)CCC(=O)O.c1ccc(C2(c3ccccc3)CC2C2=NCCN2)cc1,0
CCCC[Sn]1(CCCC)ON=C(c2ccccc2)C(c2ccccc2)O1,0
CC(C)NCC(C1=CC(=CC(=C1)O)O)O,0
Cc1c(C(=O)CC(=NNC(=O)c2ccccc2O)C(=O)Nc2ccccc2C(C)C)[n+]([O-])c2ccccc2[n+]1[O-],0
O=C(O)C=CC(=O)Nc1ccc(SSc2ccc(NC(=O)C=CC(=O)O)cc2)cc1,1
CCCCCCCCCCC,0
COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC,0
N#Cc1nn(-c2ccc(Cl)cc2)c(=N)c2c(N)n3nc(-c4ccccc4)cc3nc12,0
CCCCC(CC)COCCCN,0
N[Co-4](N)(N)(N)(N)N.[Br-],0
Clc1ccccc1-c1nc(-c2ccncc2)no1,0
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N,1
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C\C1CC1,1
O(CCCC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0
COC(C)(C)CC(C)=O,0
CCOC(=O)C1CCN2CN(c3ccc(OC)cc3)N=C(c3ccccc3)C12c1ccccc1,0
Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CCCCN(CCCCO)N=O,0
CN(N=O)C(N)=O,0
CCCCNC(=O)Nc1c(C(N)=O)c2n(c1C(=O)OCC)CCCCC2,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C,1
COC(=O)C1(C)C=C(Nc2ccccc2)C(=O)N1c1ccccc1,0
O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,0
Nc1cc(Cl)cc(C(=O)O)c1Cl,0
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,0
CC/C=C\CC/C=C/CO,0
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21,1
CN(C)C(=O)Nc1cccc(C(F)(F)F)c1,0
O=c1oc2ccccc2c(O)c1Cc1cccc(Cc2c(O)c3ccccc3oc2=O)c1,1
Clc1cc2nc(n(c2cc1)CCCC(=O)NCCC1CC[NH2+]C1)N,0
S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C,1
O=[N+]([O-])c1cccc(C2=NOC3CCCC23)c1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,0
CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O,0
COc1ccc(CCC2NCCc3cc(OC)c(OC)cc32)cc1.Cl,0
OC1CCCC1,0
Cc1ccnc2c1C(=O)C(=O)C=C2N1CCOCC1,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(P(=O)(O)O)c5cc(P(=O)(O)O)ccc45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(P(=O)(O)O)c3cc(P(=O)(O)O)ccc23)n(C)c1.[NaH],1
CCOP(OCC)OCC,0
Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1,0
CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)O[C@@H]2[C@@H]1O,0
Cn1c(=O)c2c(n(C)c1=O)n1c(=O)c3ccccc3nc1n2C,0
FC(F)(F)C(Cl)(Cl)Cl,0
COc1ccc(Cc2nn(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)n(-c3ccc(OC)cc3)c2=O)cc1,0
CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1,1
FC(F)Oc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1,1
Cc1ccc([N+](=O)[O-])c(N)c1,0
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])Cc1ccccc1)C(=O)NC(C)c1ccc(F)cc1)C,0
COc1cc(OC)c(OC)cc1C=C1C=Cc2ccccc21,0
OC(C(NC(=O)c1cc(Nc2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C,0
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0
C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O,0
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1,0
CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C,1
CCN(CC)CCSC(=O)C(c1ccccc1)c1ccccc1,0
COC(=O)C(c1ccccc1)C1CCCCN1,0
CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,0
CC1(C)CC(N(C(=O)C=Cc2ccc([N+](=O)[O-])o2)C2CCCCC2)CC(C)(C)N1,0
B.CS(=O)(=O)OC1CN2CC(O)C(O)C2C1CO,0
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)N,0
c1ccc(N2N=NC3C4CC(C32)C2C4N=NN2c2ccccc2)cc1,0
Cc1c(Cc2ccccc2)n(COCCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O,0
O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N,0
N=C(N)SCc1ccc2nsnc2c1,0
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,0
CC1=C(C(=O)NNC(=O)C[n+]2ccccc2)CC(C(=O)NNC(=O)C[n+]2ccccc2)=C(C)N1.[Cl-],0
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0
c1ccc2occc2c1,0
N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,0
s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1,1
Fc1ccc(cc1OC(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
COc1ccccc1C1=C2C(=O)N(C)C(c3ccccc3OC)=C2C(=O)N1C,0
CC1CCCNC1,0
CC(C)(C)OC(=O)N(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)OC(=O)C(C)(C)C,0
OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)C(C)C)Cc1ccccc1)CC(C(=O)NCCCC)C,0
NCCCNCCSP(=O)(O)O,0
N#C/C(N)=C(/N)C#N,0
COc1ccc(N=[N+]([O-])c2ccc(OC)cc2)cc1,1
Nc1ccc2c(c1)C(N)c1ccccc1-2,0
CCC1CCC2C(CCC3(C)C(O[N+](=O)[O-])CCC23)C1C(C)=O,0
C=CC1(C)CCC2(O)C(CCC3C(C)(COC(=O)CC(=O)OC)CCCC32C)C1,0
O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1NCNN1CC(=O)N(c2cccc(C(F)(F)F)c2)CC1=O,0
I,0
Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1,0
COc1ccc2c(c1OC)C1CCCCC1SCC2=O,0
CC1(C(=O)N(C(=O)O1)C)C,1
C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,1
O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)C1=CN(CC(OC(C)C)=O)C(C)=C(C(=O)C)[C@H]1C)Cc1ccccc1,0
CC(=O)O[AlH3](O)OC(C)=O,0
O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,0
Cl.N=C(c1ccc(-c2cn3cc(C(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1,1
CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7,1
Cc1ccc(C(=O)O)o1,0
CCN(CC)CC,0
COCCNC1CCC(=O)c2[nH]c3ccccc3c21,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccccc1,0
CCC(C)C(=O)c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c2c(C(O)CC)cc(=O)oc12,0
CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)C1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,1
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C,1
C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN,1
CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36,0
C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+],1
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C,1
CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
COc1c2occc2cc2ccc(=O)oc12,0
CC1=C(O)C(=O)C(C)O1,0
CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O,1
CC[C@H](N)c1ccccc1,0
CON=Cc1cc(OC)c(OC)c(OC)c1,0
COC1=NS(=O)(=O)C(C)C(C)(C)O1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(OCC\C=C(\F)/F)ccc1,1
S=c1nc(COc2ccc(Cl)cc2)[nH][nH]1,0
FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1,1
Cc1cc(O)c2c(c1)OC1(C)CCC3C(C)(C)CCCC34COC2C14,0
CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Ni-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],0
CC(=O)OC1C=C(C=O)C(O)(C=O)C2(C)CCCC(C)(C)C12,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)NC(=O)NC(=O)OCc1ccccc1,0
Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12,0
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,0
s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C,0
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl,1
NN=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1,0
Nc1nc(S)nc2nc3c4ccccc4c4ccccc4c3nc12,0
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,0
COc1ccnc2c1CCCCC2S(=O)c1nc2ccccc2[nH]1,0
O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1,0
C=C(C)C12CC(C)C34OC(C=CC=CCCCCCCCCC)(OC1C3C1OC1(CO)C(O)C1(O)C(=O)C(C)=CC14)O2,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(=O)NC1)c1cc(ccc1)C(C)(C)C,1
CCCCCCCCCC(C)=O,0
CC1(c2ccccc2)OC(C(=O)O)=CC1=O,0
OCCOCCOCCOCCOCCO,0
Cc1cc(C)c(C)c(C)c1,0
CC(N)Cc1ccc2c(c1)OCO2,0
Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,0
C[N+](C)(O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl.[Cl-],0
CC(=O)Oc1ccc(C)cc1,0
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1
O=C(OCc1ccccc1)C1OC1C(=O)OCc1ccccc1,0
CCCCCCCCCO,0
COc1ccc(P2(=S)OC(C)(C)C(C)(C)O2)cc1,0
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C,1
CCN1C(=O)C(=O)C(CC)(CC)C1=O,0
CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1
CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O,0
Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(Cl)cc(Cl)c2)C1O,0
C[C@@H](Cc1ccccc1)N(C)C,0
CCCn1cc[n+](C)c1,0
CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O,0
CCOC(=O)C(=Cc1cccc(F)c1)C(=O)OCC,0
O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl,0
Sc1ccccc1Cl,0
C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)C(C[C@@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)C=CC=CC=CC=CCCC=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2,0
O=C(O)c1cccc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)c1,0
CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.O=S(=O)(O)CCS(=O)(=O)O,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CCOCC1)CC)N,0
Nc1nc(Cl)c(N)c(NCC2(CO)CC2)n1,0
O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N,0
O=C1c2ccccc2C(=O)c2cc(O)ccc21,0
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,0
CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br,1
S1(=O)(=O)CC(Cc2cc(F)c(NC(=O)C[NH+](C)C)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,0
CCOc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCCOC,1
C=C(C)C(=O)[O-],0
CC(C)(S)C(=O)N[C@@H](CS)C(=O)O,0
Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C,1
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,0
Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3c(O)nc(S)nc3[nH]2)cc1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1,1
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O,1
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CCO)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC,0
CC(C)C(=O)OCC(C)(C)C(OC(=O)C(C)C)C(C)C,0
CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N,1
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,1
O=C(c1ccccc1)N1C(=S)N=C(Nc2ccccc2)C1=Nc1ccccc1,0
CC(C)=CCCC(C)CC(=O)O,0
O=C(O)CCC(=O)O,0
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCc2c1cc(OC)cc2,1
Oc1cc(Cl)c(Cl)c(Cl)c1,0
CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O,1
CC1OC(n2ncc(=O)[nH]c2=O)C=CC1=O,0
N=C(N)NN,0
C=C(C)C(=O)OCCC[Si](Cl)(Cl)Cl,0
CCOP(=O)(OCC)C(C#N)=Cc1ncc[nH]1,0
CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F,1
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1,0
O=c1c2ccccc2oc2c(Cl)cc(Cl)cc12,0
O=C([O-])CCl,0
CCCCOC(=O)COc1ccc(Cl)cc1Cl,0
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,1
CC1(C)CC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)C1,0
ClC(Cl)(Cl)Cl,0
COc1ccccc1C=CC(=O)O,0
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,0
CC(C)(NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)O,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C,1
CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1,0
CC(C)C(NC(=O)Oc1ccccc1)C(=O)NC1c2c(Br)sc(Br)c2C(=O)C1O,0
Cc1cccc2c1CC(C1OC(=O)c3ccccc31)C2=O,0
C=C1C(=O)OC2C=C(CO)C(OC(C)=O)CC(O)C(C)=CC(OC(=O)C(C)CC)C12,0
C1=CC(=CC=C1N)S(=O)(=O)N,0
CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0
COC(=O)C(CCCC1(c2ccccc2)OCCO1)C(C)=O,0
CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,0
C1COCCO1,0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,0
N=C(N)NN=C(C=Cc1ccc([N+](=O)[O-])o1)C=Cc1ccc([N+](=O)[O-])o1,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)ccc3nc2-1,0
O=C(CN(c1ccc(S(=O)(=O)O)cc1)c1ccc(S(=O)(=O)O)cc1)Nn1cnc2ccc(S(=O)(=O)N(c3ccc(S(=O)(=O)O)cc3)c3ccc(S(=O)(=O)O)cc3)cc2c1=O,0
Fc1ccccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
Oc1ccccc1C=Cc1csnn1,0
CC12CCC(=O)N1c1ccccc1N2,0
O=C(O)c1cccc(Oc2ccccc2)c1,0
Nc1ccccc1C(=O)CCc1ccccc1C(=O)O,0
O1CCCCNc2cc(ccc2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,0
NC(=O)c1nnsc1NN=O,0
Nc1cc(Cl)cc(Cl)c1,0
CC/C=C\CCOC(=O)C(C)C,0
O=C1CCCC(=O)O1,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1Cc1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)C31,0
Cc1nc(-c2ccc(Cl)cc2)oc1COC(C)(C)C(=O)O,0
O=C(O)CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,0
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,1
O=C(NN=C1CCCCC1)NN=C1CCCCC1,0
CCN(CC)C(=O)CCn1ccc(=O)[nH]c1=O,0
C(C(F)(F)F)(OC(F)F)F,1
O=C(C(=Cc1ccc(O)cc1)c1ccccc1)c1ccccc1,0
CC1=CC=C(C(C)C)CC1,0
O=C(O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,0
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,0
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N,0
O=C([O-])CCCOc1ccc(Cl)cc1Cl,0
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,0
CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,0
CCCCCCCCCCCCCCC,0
C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,1
[BrH+][Ni-2]1([BrH+])[PH](c2ccccc2)(c2ccccc2)c2ccccc2[PH]1(c1ccccc1)c1ccccc1,0
OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,0
C=CCc1ccc(OC)cc1,0
CC1=[N+]2[N-]C(N3CCCCCC3)=[S+][Cu-3]2(Cl)[n+]2ccccc21,0
CC[C@@H](C)CCCCC(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC1=O)[C@@H](C)O,0
NC(=O)Cc1cccc2ccccc12,0
CN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@@H](CC(=O)O)C1=O,0
c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34,0
COC(=S)SSC(=S)NCCN(CCNC(=S)SSC(=S)OC)C(=S)SSC(=S)OC,1
CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(=O)CCC6(C)C5C=CC4(OC2=O)C3C1C,0
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,0
O=C=Nc1cccc(C(F)(F)F)c1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C,1
N#CC(N)=C(C#N)N=CNCc1ccccc1,0
CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1,0
Cc1cc(CCN2CCN(c3nsc4ccccc34)CC2)cc2c1NC(=O)CC2(C)C,0
C[N+]1(C)[C@H]2CC(OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21,0
CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,1
c1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1,0
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,1
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC5=CN=CN5)N,1
Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br,0
CCc1ccc(O)c(C(C)(C)C)c1,0
CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O,0
CCN1CCCC1CNC(=O)C(O)(c1ccccc1)c1ccccc1,0
COc1cccc(N)c1,0
CCOC(=O)C(=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)=O,0
CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N,1
Cc1c[nH]cn1,0
CN(C[C@@H](CC[N+]12CCC(C3CCCCC3)(CC1)CC2)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0
COc1ccccc1C=C1C=Cc2ccccc21,0
CC1OC2(CN3CCC2CC3)CS1,1
N#CSC(Cl)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-],0
C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1,0
FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C,1
COC(=O)c1ccccc1C(=O)c1ccc(OCCN2CCCCC2)cc1,1
NN=C(CC1OC(=O)c2ccccc21)c1ccco1,0
CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(C)C)ccc2)C1,1
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,1
O=C(c1ccccc1)c1ccc(O)cc1,0
Cc1ccc(N)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1,0
COc1cc(C=O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC,0
O=Cc1ccccc1O,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1
Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O,1
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1,0
C1CCC(CC1)(CC(=O)O)CN,1
O=C(CCCN1CCN2CCCC2C1)c1ccc(F)cc1,0
CCOC(=O)c1nc2ccc([N+](=O)[O-])cc2c2c1CCO2,0
C=CCCCCCCCCC=O,0
N#CNC(=N)NC(=O)c1ccccc1,0
O=C(O)COCC(=O)O,0
CCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0
S(=O)(=O)(N(C)c1nc2CC[C@@H](CCc3cc(C[C@]([NH3+])(C)C(OCc(c1)c2)=O)ccc3)C)C,0
COc1nn(CSP(=S)(OC)OC)c(=O)s1,0
CCOC(=O)C=CC(CC)O[Si](C(C)C)(C(C)C)C(C)C,0
N#Cc1cc(Br)c(O)c(Br)c1,1
CCOC(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)c4ccccc4nc23)cc1,0
Cc1c(I)c(=O)n(-c2ccccc2)n1C,0
CCC1C(COC1=O)CC2=CN=CN2C,1
Oc1nc(S)nc2nc3c4cccnc4c4ccccc4c3nc12,0
CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC,0
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccccc2)c1,0
Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2,0
CN(C)c1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,0
CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl,0
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,0
COc1cccc(N2C(=O)CC(Sc3ccccc3N)C2=O)c1,0
CC(O)C(=O)[O-].CC(O)C(=O)[O-],0
CN(C)CCCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,0
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O,1
O[Fe]=O.O[Fe]=O.[Fe],1
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,1
Cn1c(-c2cccs2)cc(-c2ccsc2)c1-c1cccs1,0
CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl,1
CC(C)Nc1nc(N)nc(Cl)n1,0
O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C,1
CC(C[N+](C)(C)C)OC(N)=O,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NOCC2)N)c1ccc(OC(F)(F)F)cc1,1
COc1c(CC(C)=O)ccc2c1C(=O)c1ccc(C=O)c(OC(C)=O)c1C2=O,0
OCCOc1cccc(OCCO)c1,0
CCOC(=O)C1(C(=O)OCC)CC(=O)C2(C1)OCCC1OC(=O)CC12,0
CN1COc2c(n(C)c(=O)[nH]c2=O)C1,0
CCC1(C(=O)NC(=NC1=O)[O-])CCC(C)C,1
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC)cc1,0
COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2,0
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O,0
O=C(Nc1cccc(Cl)c1)OCC#CCCl,0
CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl,0
O=[N+]([O-])c1ccc2ncccc2c1CCc1c([N+](=O)[O-])ccc2ncccc12,0
CC(=O)OC1CCC2(C)C(=CCC3C4=CC=C(C(C)=O)C4(C)CCC32)C1,0
C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C(N)[O-])C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)N(C)C)[O-].[Ca+2].[Ca+2],1
O=C(c1cc(=O)c2ccc(O)cc2o1)c1ccc(Cl)cc1Cl,0
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,1
O=C(O)c1ccccc1[N+](=O)[O-],0
O=C(c1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O,0
O=C1CN(C(=O)C2CCCN2C(=O)C2CCCN2)C(=O)CN1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCOC,1
CC12C(=O)N(CCN)C(=O)C1C1c3ccccc3C2c2ccccc21,0
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,0
O=C(OCCO)c1ccccc1O,0
Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1,1
CSc1[nH]cnc1C(N)=S,0
CCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,0
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC,0
N#CC(c1ccccc1)c1ccccc1,0
S=c1[nH]c2c(S)nnc(S)c2n1Cc1ccccc1,1
Brc1ccc(cc1C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
CC(Br)C(=O)O,0
CCCCOC(=O)CCC(C)=O,0
O=C1N(Cc2ccc(cc2)CNC(=O)Nc2ccc(cc2)C#N)C(N[C@@]1(CC(C)C)C)=N,0
O=C([O-])c1cc(C(=O)O)cc(S(=O)(=O)O)c1,0
FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1,1
Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,1
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0
O=C(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc([N+](=O)[O-])cs1,0
O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1,0
CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,0
Cl.N=c1c2ccccc2nc2oc3ccc(Cl)cc3n12,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C,1
CC=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,0
COC(=O)c1c(O)c(C#N)c2[nH]c3ccccc3n2c1=O,0
O=c1sc2ccccc2n1CC1CS1,0
CC(C)Nc1nc(Cl)nc(NC(C)C)n1,0
Oc1nnnc2c1sc1ncccc12,0
Cc1ccccc1OCC(O)CO,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CCN(Cc2ccccc2)C1=O,1
O=C(O)C=CCCCCCCCCC(=O)O,0
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C,1
O=[N+]([O-])c1ccc(-[n+]2ccc3ccccc3c2)c([N+](=O)[O-])c1,0
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,0
COc1ccc(C2ON(c3ccccc3)CC=C2C)cc1,0
CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O,0
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1
O=C1C(I)=CC(=C(c2cc(I)c([O-])c(I)c2)c2ccccc2C(=O)[O-])C=C1I,0
C=CCOC(=O)CC(C)C,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,1
C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)[O-],0
CC(=O)Nc1ccc(C)cc1C,0
CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,0
CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O,0
Nc1ccc(C2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1,1
O=C(O)C1CC(c2ccc(F)cc2)=Nc2ccc(F)cc2S1,0
C[C@@H]1C2C(C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@H](C)O.O.O.O,1
CCNc1cccc(C)c1,0
CCCCC(CC)COCCO,0
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,1
C1=Cc2cccc3cccc1c23,0
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,0
O=c1[nH]n(CCc2ccccn2)c(=O)c2ccccc12,0
SCCSCCS,0
O=C(O)C(=O)Cc1c[nH]c2ccccc12,0
CCN(CC)c1ccc2cc(-c3csc(-c4ccc(N(C)C)cc4)n3)c(=O)oc2c1,0
CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O,1
COP(=S)(Cl)OC,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3C(C#N)CC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O,1
CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl,1
Cc1c2c(c(C)c3c1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])[OH+]3)OCO2,0
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)N(N3)P(=O)([O-])[O-])C4=CC=C(C=C4)F.C[NH2+]C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C[NH2+]C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O,1
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O,1
OCCN(CCO)c1ccccc1,0
CCN(C)N=O,0
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C,1
CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,1
CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,0
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O,0
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,1
CCO.COc1cccc(C(O)C(CN2CCCCC2)CN2CCCCC2)c1,0
C1CC(C2OCOC3COCOC32)OO1,0
CCCC(Cl)=NOC(=O)Nc1ccccc1C(F)(F)F,0
NC(=O)N1C(=O)C(C(=O)c2cc(Cl)cs2)c2cc(F)c(Cl)cc21,0
CCCCCCCCCCCC(C)=O,0
NC(=S)c1c(Cl)cccc1Cl,0
s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C,0
Cc1ccc2c(c1)-c1c(C#N)c(N)nc(-c3ccccc3)c1CCS2(=O)=O,0
COC(CCC(C)C1OC23CC(OC(=O)CC(C(C)O)OC(=O)CC(O)(O2)C(C)CC3(C)C)C1C)c1cccc(O)c1,1
CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C,0
CCCSc1cc(OC)c(CCN)cc1OC,0
c1ccc2cc(Nc3ccc(Nc4ccc5ccccc5c4)cc3)ccc2c1,0
C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C,0
CCCC[Sn]1(CCCC)ON=Cc2ccccc2O1,0
CCCOC(=O)c1ccc(C(=O)OCCC)nc1,0
C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl,1
O=[N+]([O-])c1ccc(O)cc1,0
CC(Oc1cc(Cl)ccc1Cl)C(=O)O,0
Cc1cc(C)c(C)c(O)c1,0
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN.C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=CC=CC=C7)N)O,0
OCCOCCOCCOCCO,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,1
Cc1c(C)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,0
COc1cc(N)c2c(c1)SCC(=O)N2,0
C#CC(CCCC)OC(=O)NC(C)c1ccccc1,0
O=C(CCC(=O)C1Cc2ccccc2C1=O)Nc1cccc(C(F)(F)F)c1,0
CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O,0
Clc1ccccc1C1=NN(c2ccccc2)C2c3ccccc3OCC12,0
O=C(COCCOCCOCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,0
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1,0
CN(N=O)C(=N)N[N+](=O)[O-],0
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O,1
COc1cc2nc(Cl)nc(N)c2cc1OC,0
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,1
C#CCN(N=O)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,0
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C,1
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,1
O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1,1
C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl,1
O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1,0
CC(=O)Nc1ccccc1,0
[N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O,1
CN(C)C1C(O)=C(C(=O)NCNC2(C(=O)O)CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,0
O=C1c2cccc3c2C(=O)c2c(cccc21)OCCOCCOCCOCCO3,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(F)cnc1)c1ccncc1,0
COC(=O)CC(=O)C(C)(C)C,0
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,0
O=C1NC2C=CN(Cc3ccccc3)C=C2C(=O)N2CCCC12,0
C=CCS(=O)(=O)[O-],0
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,1
CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
CN(C)c1cccc(O)c1,0
CC1=CCC2CC1C2(C)C,0
CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C,0
O=c1[nH]c2cc(Cl)ccc2n1C1CCNCC1,0
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+],1
COc1ccc(O)c(C(C)=NNC(=S)N(C)C)c1,0
S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1,0
Fc1ccc(cc1OCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
CC(C)=CC(=O)O,0
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,1
CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C,1
Brc1c(Br)c(Br)c(Br)c(Br)c1Br,1
CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O,0
CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C,0
O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N,0
N#Cc1c2c(cn3c1nc1ccccc13)Cc1ccccc1-2,0
COc1ccc(/C(C)=C/C(=O)O)c(OC)c1,0
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
CCCCCCCCCCCC[n+]1ccc2ccccc2c1,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC,1
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,1
CC(C)C(=O)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2,1
C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,1
Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1,0
CN(CCO)c1nc(O)c2c(n1)CCC2,0
O=c1c2c(sc3ccccc13)NCN(CCc1ccccc1)C2,0
CC(O)CC(C)(C)O,0
CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C,1
s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1
NC(=O)Nc1ccc(Cl)c(Cl)c1,0
C1C(O1)CCl.C(CNCCNCCNCCN)N,1
CC(C)C[C@H](CC(=O)O)CN,1
CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12,0
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O,1
C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N,1
CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1,0
CCN(CC)C(=O)Cc1[nH][nH]c(=O)c1C(=O)N(CC)CC,0
O=S(=O)(NCCSSCCNS(=O)(=O)c1cccs1)c1cccs1,0
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,0
O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21,0
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1,0
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N,1
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N,1
COCCc1ccccn1,0
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4,1
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,0
O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C,0
CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1,0
Nc1ccccn1,0
CN1CCN(C(c2ccccc2)c2ccccc2)CC1,0
Clc1ccc(N(S(=O)(=O)C)c2cc(ccc2)C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C(=O)NC2CCCCC2)C)cc1,1
S1(=O)(=O)CC(Cc2cc(OCCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
O=C1NC(=S)NC1=Cc1ccc(Cl)cc1,0
O=c1oc2c(-c3ccccc3)nnc(O)c2c2c1CCCC2,0
CC(=O)O.CCNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,0
CC1CCC(=O)C1=O,0
CCC(=O)C=Cc1ccc(OC)cc1,0
Cc1c(N)cccc1[N+](=O)[O-],0
O=C1CCCCCCCCCCC1,0
C=C(C)c1ccccc1,0
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C,0
O=C1N(O)C2(C=CCCC2)C(=NO)C12CCCCC2,0
C#CCN(C)[C@H](C)Cc1ccccc1,0
O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1,1
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCC=C(C)CCC=C(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0
CC(=O)Nc1ccc(C)c(Cl)c1,0
COc1cccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C)CC4C3C2=O)c1,0
O=Cc1ccc2c(c1)OCO2,0
CCCCCC(C)=O,0
CNC(C)Cc1ccccc1OC,0
O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C,1
CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,0
CCCCOC(=O)C1OC12CCCCC2,0
CCCCC(CC)COC(=O)CS,0
S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C,1
Cc1ccc(C(C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)cc1,0
COC(=O)N(CC1C=CCCC1)c1ccccc1I,0
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,1
CCCCC[Si](OCC)(OCC)OCC,0
O=C([O-])CC(S[Au])C(=O)[O-],0
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,0
O=C(O)c1cc(O)nc(O)n1,0
COc1nc(NC(C)C)nc(NC(C)C)n1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(OCC2CC2)ccc1,1
CCCCCCCCn1cc[n+](C)c1,0
CCCCCCc1cc(S(=O)(=O)O)c(O)cc1O,0
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,1
NNc1cnn(-c2ccccc2)c(=O)c1Cl,0
CNC(=O)CSP(=S)(OC)OC,0
CC1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2S1=O,0
C[N+](C)(C)C,0
C=C(C)CS(=O)(=O)[O-],0
COc1ccccc1C1C(C#N)C(=O)NC(=O)C1C#N,0
CCCCCCCCCCCCCCCC[n+]1ccccc1,0
CCCCNCC(O)c1ccc(O)cc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C,1
C=CC(=O)OC,0
CCCCC(CC)COC(=O)COc1ccc(Cl)cc1C,0
Cc1cccc(OCC(O)CNC(C)(C)C)c1C,0
CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O,1
CN1CC(=Cc2ccco2)c2nc(N)nc(-c3ccco3)c2C1,0
C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl,1
CCCCNC(C)(C)[PH](=O)O,0
C=CC(=O)NC(C)(C)CS(=O)(=O)[O-],0
O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,0
CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC,1
CN1C(CC(O)c2ccccc2)CCCC1CC(O)c1ccccc1,0
C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)C(C)(C)C,0
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O,0
CC1=COC2OC3(C)CCC4C(C)CCC1C24O3,0
C1=NC2=C(N1COCCO)NC(=NC2=O)N,1
Nc1nc(N)nc(-c2cnc3ccccc3c2)n1,0
CC1CN(CC(N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F,1
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1,1
O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,0
CCCCOC(=O)CCC(Nc1nc(Cl)nc(Cl)n1)C(=O)OCCCC,0
Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)(C)CS(C)(=O)=O,0
CN1CN(c2ccccc2)C2(CCN(CCCCCCF)CC2)C1=O.Cl,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1
CCCCN(CCCC)CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1,0
OC1CSCCSCCCSCCSC1,0
O=CCc1ccccc1,0
S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]C2(CC2)c2cc(ccc2)C(C)C)ccc3)c1)CCC,1
COCCc1ccc(OCC2CO2)cc1,0
O=C(C1CCCCC1)N1CC(=O)N2CCCc3ccccc3C2C1,0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1
Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
O=S(O)CCCCCSSc1ccc(Cl)cc1.[NaH],0
CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1,0
C[NH+](C)CCC(c1ccccc1)c1cccc[nH+]1,0
CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O,1
C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21,0
c1ccc2sc(SSN3CCOCC3)nc2c1,0
Cc1nc(O)c2sc(=S)n(-c3ccccc3)c2n1,0
FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1,1
C(=NCCN=Cc1cccc2ccccc12)c1cccc2ccccc12,0
Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1,1
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,0
Clc1cc(ccc1)CN1C(=O)C(NC1=N)(C)C,0
S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C,1
CSc1n[nH]c2c1c(C)nn2-c1ccccc1,0
ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl,0
C1=CC2C=CC(C=C1)P2c1ccccc1,0
CCCCC(CC)CO,0
CCCCCCCCOS(=O)(=O)[O-],0
CC(C)CCCC(C)NCCC(C)C,0
CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0
CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O,0
COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=NCCNCCN=C2,1
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,0
CCCCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)C=C(C)C,0
CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C,1
CN(C)c1ccc(C=Cc2ccnc3c2ccc2ccccc23)cc1,0
O=C(O)c1cc(=O)c2ccccc2o1,0
CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C,0
CCNC(=S)NCC,0
C[N+](C)(C)CC(=O)O,0
COc1ccc(-c2csc(=Nc3ccccc3)n2CCCN(C)C)cc1,0
O=C(O)c1c(Cl)ccc(Cl)c1Cl,0
CCCCC1CCC(O)CC1,0
CCCCCCCN,0
FCC\C=C\c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
CCCCCCCCCCCCCC(=O)OC,0
Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1C1CCCCC1)c1ccccc1,1
O=[N+]([O-])c1ccc(N(CCS)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,0
CCCCCCCCCCCCCC=O,0
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,0
CCCCCCCCCCCSCC(=O)O,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1
O=C(Cl)/C=C/C(=O)Cl,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1
CCCCn1cc[n+](C)c1,0
N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,0
S(=O)(=O)(N(c1cc(cc(c1)/C(=N\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1
Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1,0
CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1,0
C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C,1
C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1,0
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5,1
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1,0
CC(C)(O)C1=CC=CCCCCCCCCCC1,0
CCOC(=O)C1=CC(C(C)CC(=O)CC(=O)O)CC1,1
O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC,1
C1CCNC(C1)C[NH2+]C(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,1
O=C(c1ccc(O)cc1)c1ccc(O)cc1,0
O=c1ccc(=O)[nH][nH]1,0
CC/C=C\CCCCCO,0
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN.C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC8=CC=CC=C8)N)O,0
S1(=O)(=O)CC(Cc2cc(CC(OC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1
O=C(O)c1cc(O)c2ccccc2c1O,0
Oc1ccc(Cl)c(Cl)c1Cl,0
S(=O)(=O)(N(c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1
CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,0
S(=O)(=O)(N1CC([NH2+]CC1)C(O)C(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)Cc1cc(F)cc(F)c1)c1cc(ccc1)C,1
C[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.C[C@H](O)C(=O)O,0
CC1CN(C(=O)CCOS(C)(=O)=O)C(C)CN1C(=O)CCOS(C)(=O)=O,0
c1ccc2c(c1)c1cccc3ccc4cccc2c4c31,0
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,1
FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)C=1C=C(N2CCCC2=O)C(=O)N(C=1)C1CCCC1)Cc1ccccc1,1
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1,0
O=C(O)c1cc2ccccc2cc1O,0
C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,0
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1,0
c1ccc(-c2cccc(-c3ccccc3)c2)cc1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1,1
N#Cc1cccnc1,0
Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O,1
N[C@@H](CS)C(=O)O,0
CCOC(=O)CC,0
COC(C(C)=CC=CC(C)=Cc1coc(C)n1)C(C)C1CC(O)C2(C)OC2C=CC(C)C2CC(CC(=O)O2)CC2OC2C(=O)O1,0
CC1(C)CCCC2(C)C1CCC1(CO1)C2C=CC(C=O)CC=O,0
Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)C)c1cc(ccc1)-c1cncnc1,1
CC(C)c1cc(OCC(O)CO)cc(C(C)C)c1,0
CC1=CC2C3CC(C=C3C)C2C1,0
Nc1nc(N)nc(Cl)n1,0
C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO,1
CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,0
O=C1c2ccccc2C(=O)N1CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,0
S(=O)(=O)(N(c1cc(cc(c1)/C(=N\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O,1
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C,0
CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl,0
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,0
CCSc1cc(=O)n(C)c(=O)n1C,0
O=S(=O)(O)CCCN1CCOCC1,0
CC=O,0
CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl,1
Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CO[Si](CCCOCC1CO1)(OC)OC,0
Cc1ccccc1-n1c(C)nc2ccccc2c1=O,0
O=C(c1ccccc1)c1cc(Cl)ccc1O,0
NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl,0
Cc1ccc(S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,0
O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O.[KH],0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCO,1
COc1cc(-c2cc(=O)c3ccccc3o2)cc(OC)c1OC,0
C=CCON/C(CCC)=C1\C(=O)CC(C)(C)C(C(=O)OC)=C1[O-],0
OCC1(CO)COCOC1,0
N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,0
CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,0
Clc1cc(cc(Cl)c1)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccc(OC)cc1,1
O(C(C)C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
C=CC(=O)OCCC(=O)O,0
O=C(O)c1ccccc1O.Oc1cccc2cccnc12,0
CCC(C)COC(C)=O,0
CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl,0
CC1CCC2(C)C3(C)CCC2(OC3=O)C12CC(c1ccoc1)OC2=O,0
Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C,1
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,1
CN(C)NN=C1C(=NC=N1)C(=O)N,1
O=[N+]([O-])c1ccc2[nH]ncc2c1,0
Cc1nc2c(ccc3ncccc32)[nH]1,0
N#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccccc1,0
CC(C)COC(=O)C(C)C,0
C(CC(C(=O)O)N)CN=C(N)N,0
O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1
CC/C(=N\OC/C=C/Cl)C1=C(O)CC(C2CCOCC2)CC1=O,0
NC(=O)[O-],0
Nc1ncnc(Nc2ccc(Cl)cc2)n1,0
Cc1cc(S(=O)(=O)Nc2nnc3ccccn23)c(S)cc1Cl,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(N(O)C(=O)C)CC1)c1cc(ccc1)C(C)(C)C,0
CC12CCc3ccccc3C1=NNC(=O)C2,0
CCC(N)Cc1c[nH]c2ccccc12,0
COCC(C)OC(C)=O,1
Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC,1
Cc1ccc(N)c(C)c1,0
COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,0
COc1cccc(Br)c1,0
CCN(Cc1ccccc1)c1ccccc1,0
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC,1
O=P(O)(O)c1ccccc1,0
O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1,0
COc1c(C(=O)O)cccc1-c1cccc(C(=O)NCCN(CCNC(=O)c2cccc(-c3cccc(C(=O)O)c3OC)c2OC)CCNC(=O)c2cccc(-c3cccc(C(=O)O)c3OC)c2OC)c1OC,0
C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O,1
COc1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1,1
O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1nc(-c2ccc3c(c2)CCCC3)cs1,1
CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,0
C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F,1
CN(C)CCC(C=Cc1ccccc1)=NNc1ccc(Cl)cc1Cl.Cl,0
CCOC(=O)COc1c(C)cc(SSc2cc(C)c(OCC(=O)OCC)c(C)c2)cc1C,0
C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69,0
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C,1
NNC(=O)c1cccnc1,0
CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,0
O=C1C=CCCC1,0
O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO,0
C#CC(C)(C)O,0
Cc1ccccc1C1=CC(=C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccccc3C)SS2)C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)SS1,0
Cc1ccc(NCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C,0
Cc1ccccc1S(=O)(=O)[O-],0
CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O,1
Nc1nc(N)c(-c2ccccc2)s1,0
Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O,0
[K+],0
c1cc2cc(c1)CN1CCNCCN(CCNCC1)Cc1cccc(c1)CN1CCNCCN(CCNCC1)C2,0
FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F,0
CC#COP(=O)(OCC)OCC,0
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C,0
NC(=O)c1c(Cl)nc2n1CCS2,0
Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],0
SC1CCCC1,0
C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O,0
CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
N#C/N=C1\SCCN1Cc1ccc(Cl)nc1,0
O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1)c1ccccc1,0
CCN(CC)c1ccc2c(C)cc(=O)oc2c1,1
COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C,0
CN1[PH](F)(F)[Ni-2]2([PH](c3ccccc3)(c3ccccc3)c3ccccc3)[PH](F)(F)N(C)[PH](F)(F)[Ni-2]([PH](c3ccccc3)(c3ccccc3)c3ccccc3)([PH]1(F)F)[PH](F)(F)N(C)[PH]2(F)F,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCCO,1
CC(C)c1cccc2sc(NC(=O)C(=O)CC(=O)c3ccc(F)cc3)nc12,0
NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,0
CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F,1
CCCCc1cc2ccccc2c(OCCN(C)C)n1,0
ClCc1ccc(Cl)cc1Cl,0
COc1ccc(-c2c(-c3ccccc3)c(C)c3ccccn23)cc1,0
Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C=CC=Cc1ccccc1,0
CC1COC2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12,0
CC(=O)c1ccccc1[N+](=O)[O-],0
S1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2[NH2+]CCC[C@@H]2SC\C=C\C1)C)[C@@H](O)C[C@H](C(=O)NCCCC)C,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,1
Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2,1
CCNc1nc(NCC)nc(SC)n1,0
CN(CCC(N)CC(=O)NC1C=CC(n2ccc(=N)[nH]c2=O)OC1C(=O)O)C(=N)N,0
O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1,0
COc1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2OC)cc1,0
CCCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,0
Cc1cc(C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O,1
CC(=O)NNc1ccccc1,0
Nc1ccc(-c2ccc(N)c(N)c2)cc1N,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]C(C)c2cc(ccc2)C(C)(C)C)C1,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)=C,1
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,0
COC(=O)C(NC(=O)N(CCC#N)CCNc1ccccc1)C(C)C,0
COC(=O)C(=Cc1ccco1)P(=O)(OC)OC,0
CC(C(=O)c1ccccc1)N(C)C,0
O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1,1
COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,1
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1
C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,1
O=c1ccc(=O)n(-c2ccc(Br)cc2)[nH]1,0
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F,1
COC(=O)NN=C(C)c1sc(-c2nc(C)c(C(C)=NNC(=O)OC)s2)nc1C,0
Nc1cccc(N)c1,0
Clc1cc2CC(N=C(NC(Cc3cscc3CC)C(=O)[O-])c2cc1)(C)C,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1
CC(C)CCCC(C)C1CCC2C3CC=C4CC(C(=O)NCC[N+](C)(C)CCCS(=O)(O)=[OH+])CCC4(C)C3CCC12C,0
CN1CCCC1=O,0
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl,1
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,0
Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O,1
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N,1
BrC/C=C/CBr,0
CCn1c(SCC(=O)NNC(=S)Nc2ccc(Cl)cc2)nc2ccccc2c1=O,0
C[C@H]1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)O[C@@](C6=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C,1
O(CCC)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0
CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,0
CCCCP(CCCC)CCCC,0
CCOc1ccccc1NC(=O)CCC(=O)NN,0
CC12CCCC3(CC(OC(=O)c4ccccc4)C(C)(C)C3C(O)C1)C2,0
Nc1ccc(Cl)cc1N,1
FC(F)(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1,0
COC(=O)c1ccc(C(=O)O)cc1,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cccc(O)c1,0
O=C(CCC(=O)c1ccsc1)c1ccsc1,0
C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O,0
O(C)c1cc(ccc1)C(=O)NCC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1,0
CCO[Si](CCCCl)(OCC)OCC,0
C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N,1
O=C(O)CCC1(Br)CCCCC(Br)C1=O,0
CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21,0
COC(=O)CCCCC(CCSS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O,0
CCOc1ccc2c(c1)C(C)CC(C)(C)N2,0
S1(=O)(=O)CC(Cc2cc(OC3CCC3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,1
CCC12C[N+]3([O-])CCc4c([nH]c5ccccc45)C(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)CC(C3)C1O2,0
Brc1cc(ccc1OC(=O)NC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O,1
Nc1ccc(Sc2ccc(N)cc2)cc1,0
CCOC(=O)C1(C#N)C(c2ccccc2)CC(O)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)C1c1ccccc1,0
Brc1ccc(Br)cc1,0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21,0
C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,0
Cc1[nH]cnc1C[C@H]1CCc2c(C)c3ccccc3n2C1=O,0
Cc1cn(CC(=O)NCCCCO)c(=O)[nH]c1=O,0
CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O,0
COc1cc2c(cc1OC)C(Cc1cc(OCc3ccccc3)c(OC)cc1N)N(C)CC2,0
CCOC(=O)CC(=O)c1ccccc1,0
CC(CC1=CC=C(C=C1)O)(C(=O)O)N,0
O(CCCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
NC(=O)c1ncn2c1NC(=O)CC2,0
CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0
S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N,0
CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)[C@@H](C)C[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C,0
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2],0
CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O,0
CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,1
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1,0
CCOC(=O)CN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O,0
CC(CC1=CC=CC=C1)N(C)CC#C,1
O=C(O)c1ccc2cc(C(=O)O)ccc2c1,0
CN(C)CCN(Cc1cccs1)c1ccccn1.CN(C)CCN(Cc1cccs1)c1ccccn1,0
Br.CCOC(CN=c1nc(N(C)C)ss1)OCC,0
CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1)O)OC1=C(C=CC(=C1)[C@@H](C(=O)N[C@H](CC1=CC(=C(O3)C=C1)Cl)C(=O)N9)N)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)CO)O)O,0
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,1
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,0
COc1cc2c(cc1OC)C(C1c3cc(OC)c(OC)cc3-c3c(OC)c(OC)cc4c3C1N(C)CC4)C1c3c(cc(OC)c(OC)c3-2)CCN1C,0
CCCCCCCCCCCCCCCCCCN(C)C,0
Cc1cccc(C)c1OCC(C)N,0
CCO/N=C(/C1=NSC(=N1)NP(=O)(O)[O-])\C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)O,1
[O-][n+]1ccc(Cl)cc1,0
N=C1NC2=c3ccccc3=C(c3cnccn3)C2(c2cnccn2)c2ccccc21,0
CCOC(=O)c1c(NC(=O)c2ccccc2)c(C#N)c2n1CCCCC2,0
CCOC(=O)C1OC1c1ccccc1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(OCCC2)N)C)c(F)cc1,1
OCCOCC#CCOCCO,0
O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,0
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,0
O=S(=O)(C1CCCCC1)N1N=NC2CCCCC21,0
COc1ccc2oc3c(C)cc4c(OC)nnc(OC)c4c3c2c1,0
CC1(C(=O)O)OC12CCCCC2,0
C[n+]1c(-c2ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5cc(Cl)ccc5[n+]4C)cc3)cc2)cn2cc(Cl)ccc21.Cl.[Cl-],1
CC(C)(c1ccccc1)C(C)(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1,0
C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O,1
CC(=O)c1ccc(C)cc1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C,1
COc1cccc(C=C(C(C)=O)C(C)=O)c1,0
CN(C)CCCN1c2ccccc2Sc2ccccc21,1
CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C,0
CNCS(=O)(=O)O,0
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,0
CCC(C)NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1,0
OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0
CCCCCCCCC1CCC(=O)O1,1
CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,1
COCOc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)OC)c(OCOC)c2C)c(OCOC)c1C=O,0
CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2,1
C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+2],1
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,0
COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC,0
[Cr+2].c1cc[cH-]c1.c1cc[cH-]c1,0
CCCOC(=O)c1cncn1C(C)c1ccccc1,0
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,1
Cc1ccc(C2CC(=O)CC(c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1,0
O=c1c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2ncn1NS(=O)(=O)c1ccc(Br)cc1,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC,1
O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1,0
CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,0
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC,1
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42,1
O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1,0
CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,1
COc1cc2c(cc1OC)[C@@H](c1ccccc1)CN(C)CC2,0
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C,0
Oc1ccc(Cl)cc1C1CCCC1,0
NC(=O)CCCCC1CCSS1,0
CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1,0
CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,1
CC1(C)C(=O)NC(=O)N1CO,0
N#CSCC(=O)[O-],0
CCOC(=O)NNc1ccc(N(CC)CC(C)O)nn1,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(c1)C)C(C)(C)C,0
Cc1cn(C2CCC(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O,1
Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C,0
O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,0
C1OCOCO1,0
CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC,1
Nc1ccc(cc1)c2ccc(N)cc2,1
COC(=O)C(CSSCC(NC(=O)CNC(=O)c1ccccc1)C(=O)OC)NC(=O)CNC(=O)c1ccccc1,0
CCN1C(=O)NC(c2ccccc2)C1=O,0
CCCOC(=O)c1ccc(N)cc1,0
O=C1C2ON=C(c3ccccc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5)C4C3=O)cc2)cc1,0
COc1cccc(C=C2Sc3sc(C(C)=O)c(C)[n+]3C2=O)c1O.[Cl-],1
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C,1
CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N.CC(=O)O,1
CCOC(=O)CC(=O)CCl,0
O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1,0
COC(=O)c1cc(Cl)ccc1[N+](=O)[O-],0
COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O,1
CC(C)=CCc1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3,0
CCOP(=O)(OCC)C(C#N)=Cc1cccn1CC(C)C,1
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1,0
CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,0
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,1
Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-],0
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl,1
CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1,0
O1c2c(cc(cc2)-c2ccccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
CC1(C)[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)[C@H]1/C=C1\CCSC1=O,0
Cc1c(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C,0
C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C,1
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]C[C@H](Oc2ccccc2)C1,1
CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,0
COc1c(O)c2c(c(O)c1C(C)C)C(=O)C(O)=C1C(C)(C)CCCC12C,0
CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O,1
CCN(CC)CCCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,1
CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1,0
CC(N)CCCC(C)(C)O,0
COP(=S)(OC)SCn1nnc2ccccc2c1=O,0
CCCCCCCCn1sc(Cl)c(Cl)c1=O,0
CCOP(=O)(OCC)OC1CC(n2cc(C)c(=O)n(C)c2=O)OC1CO[Si](C)(C)C(C)(C)C,0
C[N+](C)(C)CCO,0
O=C(O)c1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1,0
Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1,1
CCCC/C=C/C=C\C=O,0
OCCCSCCCCSCCCO,0
COCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],1
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N,1
Cc1cccc(CC(=O)c2ccccc2)n1,0
O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1
Nc1nc(CC(=O)O)cs1,0
[Ca+2].[Cl-].[Cl-],0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O,1
Cn1nc(C=Cc2ccccc2)nc2c(=O)n(C)c(=O)nc1-2,0
O=C(O)[C@H](O)c1ccccc1,0
NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](c4ccccc4)S(=O)(=O)[O-])[C@@H]3SC2)cc1,0
CC1(C)CCOC(=O)C(Cl)CC1Cl,0
CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@@H](O)CO,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc(Cl)cc2)n1,0
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O,0
CCOC(=O)c1ccc(C(O)C([Ac])C(=O)OC(C)(C)C)[nH]1,0
c1ccc(P(C2=C(P(c3ccccc3)c3ccccc3)[Pt]23C(P(c2ccccc2)c2ccccc2)=C3P(c2ccccc2)c2ccccc2)c2ccccc2)cc1,0
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C,0
CC(=O)NC1=[N+](N=C(S1)S(=O)(=O)N)C,1
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC,1
O=C(C[n+]1ccncc1)c1ccc2c(c1)CCCC2,0
FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
O=c1[nH]n(Cc2ccccn2)c2ccc([N+](=O)[O-])cc12,0
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,0
S1(=O)CC(Cc2cc(OCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
n1cc(cnc1)-c1cc(ccc1)C1(N=C(C(C)C)C(=N1)N)c1ccccc1,0
CCCCCC(C=NNc1ccccc1)C(O)(C(F)(F)F)C(F)(F)F,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCC#N)cccc34)cc2)no1,0
Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-],0
O=C(Oc1ccccc1)c1ccccc1,0
CCCCSC[c-]1nc2ccccc2c(C)[n+]1=O,1
O=C(O)c1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,0
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,0
Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCCCC2)cc1,0
CN1C(=O)C(CCO)(C(C)(C)C)c2ccccc21,0
C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3,1
CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1,0
C=C(C)C1Cc2oc(cc2C(=O)OC)C(C(=C)C)C2C=C(C(=O)O2)C(O)C1O,0
O=C(O)C(Br)(Br)Br,0
S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C,1
O=C([O-])CNc1ccccc1,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)no1,1
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1,1
COC(=O)CNC(=O)c1cc(C)cc2c1Oc1c(cc(C)cc1C(=O)NCC(=O)OC)S2,0
CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1
C=C1CCC2CC1C2(C)C,0
CC(=O)NCCO,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C,0
O=P(c1ccccc1)(c1ccccc1)C(NCc1ccccc1)c1ccc(F)cc1,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,1
Oc1ccccc1C=NCc1ccccc1,0
Cc1ccc2c(c1)C(C1Cc3c(C)cccc3C1=O)OC2=O,0
Cc1cccc(Cl)c1,0
O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1,1
O=C(Nc1ccc(C2=NCCN2)cc1)Nc1cc(NC(=O)Nc2ccc(C3=NCCN3)cc2)cc(C(=O)O)c1,0
O=C(O)CCN(C1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1,0
NNC(=O)c1ccncc1,0
Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1,0
COc1ccc2nc(N)sc2c1,0
N=c1[nH]c(=N)c2cnnn2[nH]1,0
CCSC(=O)N(CC)CC,0
C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N,0
CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C,1
Cn1cc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccc(F)cc21,0
Fc1ccc(cc1OCC(F)F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1,0
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F,1
CCCC=C(C=O)CC,0
COCCCCCCCCCCC(=O)O,0
O=Cc1ccco1,1
C=CC(=O)OCC[N+](C)(C)C,0
Clc1cc2nc(n(c2cc1)CCCO)N,0
COc1cc(=O)cc(Cl)c(Cl)c1Cl,0
CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O,0
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4,0
CCOC(=O)NN(C(=O)OCC)C(=C(C1CCCCC1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC,1
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,1
CCCCCCCCS,0
O=C1NC2C(=CC(O)C(O)C2O)c2cc3c(cc21)OCO3,0
S(=O)(=O)(N(C)c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)cccc34)cc2)n1,0
O=C(O)CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,0
C[C@@H]1C(=O)N=C2Nc3cccc(Cl)c3CN21,0
N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1,0
CC(CCOc1c2ccoc2cc2oc(=O)ccc12)C1=CC(=O)C(C)(C)O1,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C,1
O=S([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)[O-])cc2)cc1,0
CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C.C[Sn](Br)(Br)Br,0
CCCc1ccccc1,0
CCCCCCCCCCCCC,0
O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCc3cc(C2)ccc3)CC12CCC2,1
Cc1cccc(C)c1NC(=O)C1CCCCN1C,0
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.[Na+].[Fe+3],0
CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1,0
O=Nn1ccccc1=Nc1ccccc1,0
CCC[N+](=O)[O-],0
CC(O)CN,0
CC(C)C(=O)OCC(C)(C)C(O)C(C)C,0
C=C1C(=O)C23C(O)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O,0
COc1ccc(-n2nc(C(F)F)cc2-c2ccc(S(C)=O)cc2)cc1,0
CC1CC[P+](c2ccccc2)(c2ccccc2)Cc2ccccc21.F[P-](F)(F)(F)(F)F,0
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C,1
O=C(CS(=O)C(c1ccccc1)c1ccccc1)NO,0
CN(C)P(=O)(N(C)C)N(C)C,0
CN(C)C(C)(C)CO,0
O=c1n(N=S(=O)(c2ccccc2)c2ccccc2)c(=O)n2n1C1C=CC2CC1,0
Clc1cc(C)c(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1,1
S(=O)(=O)(N(c1cc(cc(N2CCCC2=O)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,1
CCCCCCCCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0
CC(C)C1=C(C(=C(C(=N1)C(C)C)C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)COC,1
c1ccc2c(c1)nnn1c3cnccc3nc21,0
CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O,0
Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O,0
CCCCCCCCCCCCCCCCOCC(CP(=O)([O-])OCC[n+]1ccccc1)OC,0
O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C,1
CC1(C)CCOC(Sc2ccccc2)C1,0
C=C(C)C(=O)OCCOCC,0
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1,0
N#CCCC#N,0
O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31,0
CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2],0
CCC(=O)OCCC(C)CCC=C(C)C,0
O=C(CCCC(=O)NN=Cc1ccc(O)c(O)c1)NN=Cc1ccc(O)c(O)c1,0
C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ccccc2)C1,1
Nc1ccc2cc3ccccc3cc2c1,0
O=C1c2ccccc2C(=O)c2cc(Cl)ccc21,0
Cl.O=C(O)CCN(CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1C)N,0
COC(=O)c1csc(-c2nc(CCNC(=O)OC(C)(C)C)sc2Br)n1,0
Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NC(C)C)N,0
Clc1nc(Cl)c(Cl)c(Cl)c1Cl,0
C=C(C)C(=O)OCCCCCCCCCCCCC,1
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@@H]1F)N)C,1
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,1
Nc1ccc(S(N)(=O)=O)cc1,0
O=C(c1ccco1)N1CCNCC1,0
COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1O,0
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=Nc2ccc(-c3csc(COc4ccccc4)n3)cc2)cc1,0
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2ncccc2)C1,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)C(F)(F)F)c1cc(ccc1)C(C)(C)C,1
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,0
Cc1cc2c(=O)c3ccccc3oc2c(C#N)c1C,0
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl,1
CCCCc1ccc(-n2sc3ncc([N+](=O)[O-])cc3c2=O)cc1,1
CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC,1
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)OCCO)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,0
CCOC(=O)NC(S(=O)(=O)O)S(=O)(=O)O,0
O=C1c2ccccc2C(=O)c2c(NCCCNCCO)ccc(NCCCNCCO)c21,0
COC(OC)(C(=O)c1ccccc1)c1ccccc1,0
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(NC(=O)C)ccc1)N,0
CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,1
CN1Cc2ccccc2C2C(c3ccccc3)=NN(c3ccccc3)C21,0
COc1cccc(NC(=O)CC(=O)N2N=C(n3ccc4ccccc43)CC2c2ccccc2)c1,0
Fc1cc(ccc1OC)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
CC(O)C(=O)O,1
CC(=O)N[C@@H](CC(C)C)C(=O)O,0
O=S(=O)(O)O.O=[N+]([O-])c1ccc(-c2csc(=[N+]3CCCCC3)s2)cc1,0
O=C1N(C)C(=NC(=C1)CCc1ccccc1)N,0
Fc1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
OC[P+](CO)(CO)CO,0
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1,0
CC=CC=NN(c1nnc(-c2ccccc2)c(-c2ccccc2)n1)S(=O)(=O)c1ccc(C)cc1,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O,0
O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C,0
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1,0
NC(Cc1ccccc1)c1nccs1,0
CC1=C(C(=O)C=CN1C)O,1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,0
CC(=O)C(N=Nc1nc2ccccc2[nH]1)C(C)=O,0
Cc1c(O)cccc1O,0
Cc1ccc(S(=O)(=O)[O-])cc1C,0
CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12,0
CNC(=S)NN,0
CC(=O)OC1CCC2C3CCC4(C)CC(=O)C=CC4(C)C3CCC12C,0
OCc1ccco1,0
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4,0
O=c1c2ccccc2oc2cc(C(O)c3ccccc3)ccc12,0
C1=CN=C(N=C1)[NH2+]S(=[OH+])(=O)C2=CC=C(C=C2)N.[Ag+],1
C1=CC(=C(C=C1CC(C(=O)O)N)CO)OP(=O)(O)O,0
FC(F)COc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
O=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc12,0
O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,1
C=C1CC(COc2cc(Cl)nc(N)n2)C1,0
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O,0
C1=CC(=CC=C1CN)S(=O)(=O)N,0
COC(=O)c1cccc(C(=O)OC)c1,0
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O,0
CCCCc1ccc(Nc2nc(Cl)c3c(ncn3COCCOC(C)=O)n2)cc1,0
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,1
O=C1OCCCCCCOC(=O)c2ccccc2SSc2ccccc21,0
CSCCC(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O,0
CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
O=S(O)CCCCCSSCCCCSSCCCCCS(=O)O.[NaH],0
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@@H](C1)C\C=C\C=C/C,1
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,0
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,0
CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl,0
CC12C3CC4C5CC(C(C53)C1NCc1ccccc1)C42.Cl,0
O(C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(OC)=O)C)C)Cc1ccccc1)C,1
COC(=O)N(C(=O)N1CO[C@@]2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1,0
C1CN2CCC1C1(C2)SSC2(CN3CCC2CC3)S1.Cl,0
S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C,0
CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2ccccc2)CC1,0
CC(=O)OC1CCC2C3CCC4=C(C(=O)C=CC4(C)OC(C)=O)C3CCC12C,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F,1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2,0
O=Cc1ccc(Cl)c(Cl)c1,0
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,1
CN1CCC(OC(=O)C(O)(c2ccccc2)c2ccns2)CC1,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C,0
CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O,1
S1(Oc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)(=O)=O,1
CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,0
CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,0
CCCCCCCCCCCCCCCCCC(=O)O,0
CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12,0
OC1OC[C@@H](O)[C@H](O)[C@H]1O,0
CC(=O)CC(C)C,0
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC9=CNC=N9)N,0
CC(Cc1ccccc1)NCCCCl,0
Cn1c(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21,0
Cc1coc2ccccc2c1=O,0
COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,0
CCC(C)(C)NS(=O)(=O)c1ccccc1,0
CC(C)(C)C(=O)/C=C/c1ccc(Cl)cc1,0
Nc1cc(Cl)c([N+](=O)[O-])cc1O,0
CC1=CC(=O)CC(C)(C)C1,0
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O,1
O=c1c2ccccc2nc(-c2cccc(Cl)c2)n1NC1OC(CO)C(O)C(O)C1O,0
Clc1cc2CC(N=C(NC(Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C,0
Cc1ccc(S(=O)(=O)O)cc1.Cn1c2ccccc2n2c3ccccc3c3n[nH]c(=N)c-3c12,0
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0
CCC(C)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CN)C(C)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O)C(C)O)C(C)C)C(C)C,0
COc1ccc(NC(C)=O)cc1,0
C=CC(O)CCCCC,0
CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C,1
CC(C)CCON=O,0
FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1OC,0
COC1=CC=CC=C1OCC(COC(=O)N)O,1
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
O=C1c2ccccc2C(=O)C1(O)O,0
CN(C)c1c(-c2ccccc2)cc(-c2ccccc2)nc1O,0
CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1,0
Cc1cccc(C(C)(C)C)c1NC(=O)CC1Sc2ccccc2NC1=O,0
Cc1cccc(NC(=O)Nc2ccccc2Cl)n1,0
CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0
CC(=O)C(=O)[O-],0
Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1,1
OCc1cccnc1,0
C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl,1
O=C1C=C(O)C(=O)c2ccccc21,0
CC(=O)N1C[C@H](O)C[C@H]1C(=O)O,1
O=C([O-])c1ccccc1C(=O)O,0
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,0
CCN1C(NN)=NS(=O)(=O)c2ccccc21,0
O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1,0
Cc1ccc(-c2ccccc2C#N)cc1,0
CCCCCCCCCCOCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],1
CC(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccccc21,0
CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCC1NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F,0
CC[N+](C)(C)C1=CC(=CC=C1)O,0
C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F,1
OC12c3ccccc3C1(N1CCOCC1)CCCCC21OCCCO1,1
COc1cccc2c(NNc3ccccc3)c3ccc([N+](=O)[O-])cc3nc12,0
O=C(O)CCCCSCCCCCCSCCCCC(=O)O,0
FC(F)(F)c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
O=c1cc(-c2ccccc2)oc2ccccc12,0
CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,0
COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC,0
CCOP(=O)(OCC)OP(=O)(OCC)OCC,0
O=C1CSC(C(=Cc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1,0
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C,1
C=COCCOCCOC=C,0
Cc1cccc(Nc2ccccc2C(=O)O)c1C,0
Cc1ccsc1C=NNc1nc2ccccc2s1,0
Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3ccccc3c12.O=C(O)C=CC(=O)O,0
O(C)c1nc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
N#Cc1cc2c(n(NS(=O)(=O)c3ccccc3)c1=O)CCCCC2,0
CNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CC(O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1
O=P(O)(O)CC1OC(CO)C(O)C1O,0
O=C(O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0
O1CCCC1CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1,0
c1ccc(CSC(SCc2ccccc2)c2cccc3ccccc23)cc1,0
O=C1CC[C@H](C(=O)N2CCCCC2)N1,0
CC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F,0
N[C@@H](Cc1ccc(O)cc1)C(=O)O,0
O=C(NNS(=O)(=O)c1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1,1
CC[n+]1ccccc1.F[B-](F)(F)F,0
Brc1c2nc3ccccc3nc2n2ccc3ccccc3c12,0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,0
CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1,0
Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1,1
O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,0
CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-],0
C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,1
CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C,1
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,0
CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1,0
CCOC(=O)C(=O)Nc1c(C)cccc1C(C)C,0
CCCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1,0
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,0
CCCCN1C=CN(C)C1,0
CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,1
COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12,0
NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1,0
NC(=O)c1c(Cl)cccc1Cl,0
Fc1cc(Br)ccc1CBr,0
CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1,0
ClC(Cl)C(Cl)(Cl)Cl,0
[N-]=[N+]=NCC1OCOC(CN=[N+]=[N-])C2OCCOCCOc3ccccc3OCCOCCOC12,0
CN(CCCl)CCCl,0
CCOC(=O)N1N=C(c2ccccc2)OC2(N3CCCC3)CCC(C(C)(C)C)CC12,1
CC1COP(N(C(C)C)C(C)C)O1,0
CC(NC(=O)C(N)CC(=O)O)C(=O)OC12CC3CC(CC(C3)C1)C2,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2F)C(C)(C)C)C1,1
CCOc1ccc2nc(S(N)(=O)=O)sc2c1,0
O=c1[nH]cnc2ccccc12,0
COc1cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc(OC)c1O,0
CC(NC1CC1)c1ccccc1.Cl,0
CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1,0
N#CCC(=O)O,0
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1,0
COC(=O)C1Cc2cc3c(cc2C1=O)CCCC3,1
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1
COc1cc(-c2cc(-c3cc(C)cc(Cl)c3O)nc3ncnc(N)c23)ccc1O,0
C=CCCCCCCCC,0
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCCC1,0
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,1
Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@@H](CO)C3)c2n1,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(NC(=O)C)cc2)C)CN1C)c1cc(F)ccc1,0
CCCCCCCCCCO,0
CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F,1
CC[C@H](NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cccnc12)c1ccccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC(=O)NCC1)c1cc(ccc1)C(C)(C)C,1
O=C(CCCc1ccccc1)NO,0
COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(C)=O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C)N,1
CC(C)(C)c1n[nH]c(C(C)(C)C)c1N=O,0
CCCCC[C@@H](O)C1C(=O)OC(C)[C@H](O)C=CC=CC=CC=CC=C(C)C(O)C(O)C(O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O,0
C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O,0
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1
COc1ccc(NC(C)=O)cc1N,0
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C,0
OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl,0
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)OC2=O,0
Cc1ncc(COP(=O)(O)O)c(C=O)c1O,0
O=C1C2CSCC1CN(Cc1ccccc1)C2,0
CC(C)(O)C(=O)c1ccccc1,0
N#CC(C(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1,0
COCCOC,0
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,0
CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,0
Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,0
Cc1cc(O)ccc1Cl,0
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21,0
CC1(C)OCN(c2ccc(S(N)(=O)=O)cc2)Cn2c1nc1ccccc12,0
c1ccc2c(c1)OCC(C1=NCCN1)O2,0
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NNC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c(C)[n+]2[O-],0
Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23,0
O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1,0
COC(=O)c1ccccc1,0
O=c1cc(CO)occ1O,0
CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,0
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,0
CC1=CC[C@H]2C[C@@H]1C2(C)C,0
OC1C(CBr)OC(OCC(COCc2ccccc2)OCc2ccccc2)C(O)C1O,0
CCCCCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1,1
CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)[O-])c3O[C@H]2C[C@H]1O,0
Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CC(C)(C)OC(=O)C1CCC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21,0
CC1=CC(C)(C)Nc2ccccc21,0
CC1CC(C)CN(Cc2cccnc2)C1,0
CCCCOC(=O)c1ccc(N)cc1,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC,1
COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CC3=CC=CS3,1
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(OC)c(OC)c1,0
Cc1nc(C)c(Cl)c(O)c1Cl,0
[PbH2+2],0
O=C1CC2(CCCC2)CC(=O)N1,0
CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0
O=C(CBr)c1ccc(O)cc1,0
CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N,1
C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,0
C1CCC(C2CCCCC2)CC1,0
COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1,0
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,1
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N,1
Cc1cccc2c1cc1ccc3cccc4ccc2c1c34,0
CCOC(=O)NC1C(CC(=O)OC)OC2OC(C)(C)OC21,0
CN1C(C)(C)CC(O)CC1(C)C,0
CCOC(=O)CC1(O)C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,0
CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,1
CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC,0
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl,0
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0
COc1ccc(C#CCC(OC2OC(CO)C(O)C(O)C2O)C(O)c2ccc(OC)c(OC)c2)cc1OC,0
O1CC[NH+](CC1)CC(O)COc1cc(ccc1C)C,0
CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)C(C(=O)O)C2.Cl,0
COCCOC(=O)NCCCC[C@@H](C(=O)NCCCCCOP(=O)(C)O)NC(=O)OCCOC,0
O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1,0
CCCCOCCOCCOCCOCCO,0
O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C)COC,1
CCOC(=O)NC(=O)c1cn(CCCOC(=O)CCCCCCCCC(=O)OCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,0
CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1,0
Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1,1
CN(C)c1ccc2nc3c(C(=O)O)cc(O)c(O)c3[o+]c2c1,0
COC(=O)C(C)O,0
CCCC[n+]1ccccc1.F[B-](F)(F)F,0
O=C1Oc2ccccc2CC1C(=O)c1ccc(Cl)cc1,0
Cc1nc2ccccc2s1,0
BrCC1CO1,0
C=C(C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C,0
CCc1c(Cc2ccccc2)n(COCCC[Se]c2ccccc2)c(=O)[nH]c1=O,1
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,1
O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,1
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1,0
C=C(C)C(=O)NCCC[N+](C)(C)C,0
COc1ccc(C(O)(c2cncnc2)C2CC2)cc1,0
Cc1nnc2n1-c1ccccc1-n1c(C)nnc1-2,0
Cl.O=C1CCCCCCCCCCC1CN1CCCC1,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1,1
O=C(O)c1ccc(-c2ccc(C(=C(F)F)C(F)(F)F)cc2)cc1,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,1
CCCc1cc(=O)oc2c3c(cc(OC(C)CC)c12)OC(C)C(C)C3O,1
CCOCCOCCOCC,0
O=c1ccc2cc([N+](=O)[O-])ccc2o1,0
CCCCCCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,0
COC(=O)C(C(=O)C(=O)Nc1cccc(O)c1)c1nc2ccc(Cl)cc2nc1O,0
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,0
CC(=O)O[Hg]c1ccccc1,0
CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N,0
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0
O=C(O)CCCCCCCC(=O)O,0
CC12CCCC(O)C1(C)CCC2=O,0
CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC,1
Cc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc1,1
O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)c1ccccc1)C,0
O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N,1
CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(O)CCl)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O,0
N=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc12,0
O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12,0
COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O.N,0
O=C([O-])CF,0
Oc1c(Cc2ccccc2)c(-c2ccccc2)nn1C1=NCCN1,0
CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O,0
CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2,0
CC(C)=CCCC(C)CCOC=O,0
c1ccc(-c2ccccc2)cc1,0
CCOC(=O)NP(=O)(NNc1ccccc1)NNc1ccccc1,0
FC(F)(F)C(Cl)Br,0
Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1,0
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,0
Cc1ccccc1S(N)(=O)=O,0
CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N,1
N[Pt](N)(Cl)Cl,0
CCCCCCCCCC[N+](C)(C)[O-],0
CCC1=CC=C(C=C1)C(C)CCC2=CC=C(C=C2)[N+](C)(C)C.[Cl-],1
C=CC(=O)OCCOc1ccccc1,0
NC(=O)NC(=O)c1cccs1,0
O=C1CN(c2ccccc2)CC(=O)N2Cc3ccccc3CN12,0
CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1,0
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C,1
CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,0
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,1
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,0
Cc1cc(N)c(S(=O)(=O)O)cc1Cl,0
S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,1
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-],1
CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)[NH3+])O,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CCOC(=O)C(C#N)=Cc1coc2cc(C)cc(C)c2c1=O,0
Nc1nc2ccc(OC(F)(F)F)cc2s1,0
CC(C)(C)c1cccc(C(C)(C)C)c1O,0
O=Cc1cc2c(cc1-c1c(C=O)ccc3c1OCO3)OCO2,0
Cc1ccc(-c2nc(SCC(=O)O)n[nH]2)cc1,0
CN1C[C@@H]2C(C1)C3=CC=CC=C3OC4=C2C=C(C=C4)Cl,1
Cc1ccc(S(=O)(=O)O)cc1.O,0
Cc1nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n2c1C=CC(C)C,0
CCCCCCN,0
COC(=O)C1C(=O)CC2C(C(=O)OC)C(=O)CC12,0
CCOP(=O)(OCC)OCC,0
S1(=O)(=O)CC(Cc2cc(OCCC)ccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
n1ccc2c(cccc2)c1N,0
CC(C=Cc1ccccc1)=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,0
COC(=O)c1ccc(O)cc1,0
CO[Si](OC)(OC)c1ccccc1,0
Brc1ccc2noc(-c3ccccc3)c2c1,0
COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,0
Cc1ccc(SCC(CF)OCn2cc(F)c(=O)[nH]c2=O)cc1,0
C[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O,1
CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1,0
COc1ccc(C(=O)O)c(Cc2cccc3ccccc23)c1,0
c1ccc2cc3c(ccc4ccccc43)cc2c1,1
Fc1cccc(Cl)c1CCl,0
CON(C)C(=O)Nc1ccc(Br)c(Cl)c1,0
CCNc1nc(NC(C)C)nc(SC)n1,0
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,0
O=C(O)c1ccc2c(O)c(O)ccc2c1,0
CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,0
O=C(c1ccccc1)c1nnn(Cc2ccccc2Cn2nnc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1,0
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,1
C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+],1
Cc1cc(S(=O)(=O)O)c(N)cc1Cl,0
COc1ccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,0
CCCC[N+](C)(CCCC)CCCC,0
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1
S(=O)(=O)(N(c1cc(ncc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,0
C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[La+3].[La+3],0
O=C1CCCCC1,0
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1,0
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C,1
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1,0
Fc1ccc(cc1)CC1CC[NH2+]CC1,0
O1c2c(cc(cc2)-c2ccncc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
CS(=O)(=O)OCCCCOS(=O)(=O)C,1
COC(=O)C(Cc1ccccc1)N1OC12CCCCC2NC(=O)OC(C)(C)C,0
S=c1[nH]nc(CNc2ccc(-c3n[nH]c(=S)n3-c3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1,0
O=C(Oc1cccc2cccnc12)c1ccccc1,0
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O,1
CCOC(=O)OCC,0
COCN(C)c1nc(N(C)C)nc(N(C)C)n1,0
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,0
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1,0
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,0
Cc1cc[n+](C2=C(O)C(=O)C3=C(C2=O)C2c4ccccc4C3c3ccccc32)c(C)c1,0
OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,0
CC1(CC(=O)OC(C#C[Si](C)(C)C)Cc2ccccc2)OCCO1,0
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O,0
COc1cc(C=C(OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,0
CCOC(=S)SSSC(=S)OCC,0
Cc1cc(O)c2cnncc3c(O)cc(C)c4c(=O)oc5c(CO)c(O)c(C(=O)O)c(cnncc6c(C(=O)O)c(O)c(CO)c7oc(=O)c1c2oc67)c5oc34,0
Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
CC(C)(C)NC(=O)C1CC2CCCCC2CN1C(=O)c3ccc4ccccc4n3,1
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC,0
CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,0
O=c1nn[nH]c2ccccc12,0
CC(=O)CCC=C(C)CCC=C(C)C,0
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,1
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
CN(Cc1ccccc1)Cc1ccccc1,0
CCC(C)(O)C(=O)OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C)C3C4(O)OCC23C1C(C)C4O,0
CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CCN(c2ccccn2)CC1,0
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C,0
COc1cccc(C=CC(=O)C(C)(C)C)c1,0
O=C(N=Nc1ccccc1Cl)NNc1ccccc1Cl,0
CCCCC(CC)COS(=O)(=O)O,0
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl,0
CCCCCCCCCCCCCCN(C)C,0
CCCCOCCO,0
C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,1
S(=O)(=O)(N(c1ccccc1)c1nccc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,1
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,1
CCCCCCC1OC(C(=O)OCCCC)C(C(=O)OCCCC)O1,0
C=C(C)C(=O)OCCCCOC(=O)C(=C)C,0
COc1cc2c(c(C3C(=O)N(C)c4ccc(Br)cc43)c1OC)OCO2,0
Cc1ccc(C(=O)C(=O)[O-])cc1C,0
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CCO[Si](OCC)(OCC)c1ccccc1,0
Cl.Clc1ccc(CCn2cncn2)cc1,0
CC12CCC(=NOCCN3CCCCC3)C=C1CCC1C2CCC2(C)C(O)CCC12.O=C(O)C(=O)O,0
CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,1
CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O,0
COc1cc(C=NNC2=NCCCN2)ccc1O.I,0
CCCC(C)C(=O)OCC,0
CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C,0
CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1CCO,0
CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)C(=NOC)C3=CC=CO3)COC(=O)N,1
COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O,1
Nc1ccc(Cl)cc1[N+](=O)[O-],0
S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C,0
NC(=O)CF,0
O=C1N(C)C(=NC1(C1CCCCC1)C1CCCCC1)N,0
CC(C)(C)OC(=O)C1C(=CCBr)CN1C(=O)OC(C)(C)C,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0
Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCOCC1c1ccccc1,0
O=[N+]([O-])c1ccc(C=NO)o1,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#CC)c1cc(ncc1)C(F)F,1
COc1cc2nncc(S)c2cc1OC,1
Cc1cccc([N+](=O)[O-])c1C(=O)O,0
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O,1
Cc1ccc(NC(=O)C(=O)Cc2nc3ccccc3o2)c(C)c1,0
Cc1ccc2nn(-c3ccc(O)cc3)nc2c1,0
Cc1ccc2ccccc2c1,0
O=C(Cl)c1ccccc1,0
O=S(=O)(O)c1ccc2ccccc2c1,0
Clc1cc(F)c(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
CC(C)(C)C(O)CC(O)(C(F)(F)F)C(F)(F)F,0
CSc1c(C#N)c(O)n(-c2ccc(C)cc2)c(=O)c1C#N,1
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,0
CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,0
CC(C)(C)C1CCC(C[Se]c2ccc(Cl)cc2)([N+](=O)[O-])CC1,0
Cn1c(=O)c2nc3c(=O)n(C)c(=O)n(C)c3nc2n(C)c1=O,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(cnc1)CC(C)(C)C,0
Br[Ca]Br,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1ccccc1)c1ccncc1)N,0
O=C(c1cc2CN(CCC(=O)N(C)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1,1
FC(F)Oc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1,1
CCC(CC)C(C)CCOC(C)=O,0
S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
COC(=O)c1ccc(C)cc1C1=NC(=O)C(C)(C(C)C)N1,0
CCOC(=O)c1ccc(N=C2SC(=S)N(c3ccc(F)cc3)C2=Nc2ccc(C(=O)OCC)cc2)cc1,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC(F)F)cc1,1
S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
O=CNNC=O,0
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)O1,1
C=C=C(CC(CC(=C)Br)(C(=O)OC)C(=O)OC)S(=O)(=O)c1ccccc1,0
NC(CCP(=O)(O)CCC1C=CC=CC1)C(=O)O,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O,1
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,0
O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N,1
O=C(O)Cc1cc(O)nc2c1C(=NO)CCC2,0
CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,1
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=CC23CCCN2CCc2cc4c(cc2[C@H]13)OCO4,0
O=Cc1cccc(Br)c1,0
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,0
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl,0
Cc1cccc(C)c1N,0
CC(C)c1ccc(S(=O)(=O)[O-])cc1,0
COc1cccc2c1[OH+][Co-2]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2,0
CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1,0
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,1
Cc1ccc(C)n1C1CCOC1=O,0
Nc1nc2nc[nH]c2c(=S)[nH]1,0
NCCN1C(=O)c2ccccc2C1(O)c1ccccc1,0
O=S(=O)(c1ccccn1)c1nc2ccccc2s1,0
CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2,1
Clc1cc(Cl)nc(Cl)n1,0
OCCc1ccccn1,0
CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C,0
CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O,0
CC(=O)OCC1OC=CC(OC(C)=O)C1OC1OC(COC(C)=O)C2OC(C)(C)OC2C1OC(C)=O,0
CC(C)/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,0
CCCCN(CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=NNC(=O)c1ccncc1,0
CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N,1
Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C,0
O=C1C=CC2C3C(=O)N(c4ccccc4)C(=O)C3C1N2Cc1ccccc1,0
O=S(=O)(OC1CC12CCCCC2c1ccccc1)c1ccccc1,0
CC(=O)C1(Cc2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O,0
CCC(Cl)CCC(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CCl,0
CC(C)CC(C)CC(O)CC(C)C,0
Clc1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1,0
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,0
CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2.C(S(=O)(=O)[O-])(I)I.[Na+],1
CCCCCCCCNC(=O)SCCCC,0
C=CCN1c2ccccc2Sc2cnccc21.O=C(O)C=CC(=O)O,0
CC(=O)O[Si](C)(OC(C)=O)OC(C)=O,0
CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N,1
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,0
S1(=O)CC(Cc2cc(OC(CO)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1,1
CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O,1
COC(=O)C1(COCc2ccccc2)CCCC2OC21,0
Cc1ccc(S(=O)(=O)OCCC2CN(C(=O)OCc3ccccc3)C(C)(C)O2)cc1,0
CC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)NN,0
Nc1cc(Cl)c(O)c(Cl)c1,0
Cl[Si]1(Cl)Oc2ccccc2O[Si](Cl)(Cl)Oc2ccccc2O1,0
s1cc(cc1C1(N=C(N)N(C)C(=O)C1)C)-c1cc(ccc1)C#N,1
CC(=CC=CC(C)C)C1CCC(C)(NC=O)CC1,0
N#Cc1ccccn1,0
CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,1
CN1CC2(CCCCC2)C(O)C12C=CCCC2,0
Brc1cc2c(n(cc2)CC(=O)NC(=[NH2+])NCc2cc(Cl)c(NC(=O)C)c(Cl)c2)cc1,0
Cc1cccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1,0
CNc1ccc(C)cc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,0
O=[N+]([O-])c1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c(Cl)c1,0
CCCCCC=CCC(=O)OC,0
CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccccc4C)N=C3C)cc2)cc1,0
COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,0
CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C.O=C(O)CCC(=O)O,0
CCCC(C)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)=O,0
CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl,0
c1ccc2c(c1)CCCC2C1=NCCN1,0
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2,0
O=[N+]([O-])c1ccc([As](=O)(O)O)cc1,0
O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1,1
CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O,1
CCCC(CCC)C(=O)O,0
CCCO[Si](OCCC)(OCCC)OCCC,0
O=c1[nH]c2ccc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1,0
Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O,0
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(cc1)C(F)(F)F)C,1
CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,0
CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C,0
C=C(C)[C@@H]1CC=C(C)CC1,0
N#CC(=Cc1cc(O)c(O)c(Br)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(Br)c1,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(C#N)c(OC)c(c1)C)c1cc(ccc1)-c1cncnc1,1
CCOc1cc(C=O)ccc1O,0
S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C,1
Brc1cc2n(ccc2cc1)CC(=O)NC(=[NH2+])NCc1cc(Cl)c(NC(=O)C)c(Cl)c1,1
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1,1
COc1cccc(N2C(=O)C3CC(CC(C)(C)C)c4c([nH]c5ccccc45)C3C2=O)c1,0
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N,0
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,1
CNCCC1=CC=CC=N1,0
CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,0
Oc1ccc(Cl)c(Cl)c1,0
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)C#N)c1cc(ccc1)C(C)(C)C,0
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1,0
CC[C@@H](C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H](C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)C([C@@H](C)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O,0
C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl,0
O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1,0
CC(O)C#CC(C)O,0
O=C1NC(=O)C2(c3ccccc3)CCN1C2=O,0
FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,0
Oc1ccc(C=NCC2CCCN3CCCCC23)cc1,0
CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,0
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O,0
CCCC[n+]1cccc(C)c1.F[B-](F)(F)F,0
COc1cccc(CCNC(=O)CC#N)c1,0
CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1,0
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O,1
O=C(O)CCCCCCCCCCCBr,0
C=CCC1(C2=C(C)C(=O)c3ccccc32)CCCS1,0
CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1,0
COc1ccc(CC2COC(=O)C2Cc2ccc(O)c(O)c2)cc1OC,0
CC(=O)Nc1ccc(OCCOCCOc2ccc(NC(C)=O)cc2)cc1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1,1
COc1cc(C=NC2CCCCC2)cc(OC)c1OC,0
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,0
Cc1coc2c1CCC(C)C2,0
O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1,0
CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1,0
n1c(cccc1N)Cn1c(ccc1-c1ccccc1)-c1ccccc1,0
O=C(C=Cc1cccc2ccccc12)c1cccc2ccccc12,0
O=C(O)c1cccc(C[C@@H]2COc3ccc(OCc4nc5cc(F)ccc5s4)cc3[C@@H]2O)c1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(OC)=O)CC1)c1cc(ccc1)C(C)(C)C,0
CCC(C)(C#N)/N=N/C(C)(C#N)CC,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C,1
O=C([O-])C(NC1=NC(Cc2c1ccc(c2)C)(C)C)Cc1ccccc1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCCC,1
CCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,0
CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NC3C(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,1
CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC,1
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,1
O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,0
CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1,0
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,1
C=Cc1c(C)c2cc3nc(c(CC(=O)[O-])c4[n-]c(cc5nc(cc1[n-]2)c(C)c5CC)c(C)c4C(=O)[O-])C(CCC(=O)[O-])C3C.[Cu+2],0
NC(=S)NS(=O)(=O)c1ccc(N)cc1,0
O=C([O-])c1ccc2c(c1)nc(C(=O)NC1CCN(C3CC3)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1,0
O=[Cr]O[Cr]=O,0
CCCc1cc(O)nc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O,1
CC(=O)OC(C(=O)O[Sn](C)(C)C)c1ccccc1,0
CC(C)(C)c1ccc(cc1)C(=O)NCCc2ccccc2,1
Nc1ncnc2c1ncn2C1CC(OCc2ccccc2[N+](=O)[O-])C(CO)O1,0
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1,0
Cc1c(Cl)cccc1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,0
C1CSC2=C(S1)SC1=C(S2)SC(=C2SC3=C(SC4=C(SCCS4)S3)S2)S1,0
CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C1N=Nc1ccccc1C(=O)O,0
O=C1CS(=O)(=O)C(c2ccc(Cl)cc2)N1N1C(=O)CS(=O)(=O)C1c1ccc(Cl)cc1,0
COCCO,0
CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1,0
BrCc1ccc(Br)cc1,0
CCC(C)C(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)OC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)CC)C(=O)NCOC#N,0
C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO,0
OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C,0
CN1[C@H]2CC[C@@H]1C[C@H](O)C2,0
N#CC(=Cc1ccsc1)C(=O)c1ccccc1,0
O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1,0
O=S1OC[C@@H]2[C@H](CO1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl,0
O=C(CS)OCCOC(=O)CS,0
O=C(N(C)C1CCCCC1)CCc1cc2c(nc1N)cccc2,1
CC[C@H](C)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC([C@H](N)[C@H](C)CC)=N1)C(=O)N[C@@H]1CCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](CCCN)NC1=O,0
C1=CC(=CC=C1O)O,0
C[C@H]1[C@@H](c2ccccc2)N=C(O)N1C,0
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1,0
CCCC(=O)O,0
O=[N+]([O-])OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-],0
COC1C=CC(C(=O)[N+]2=Cc3[nH]c4ccccc4c3CC2)O1,0
CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1,0
COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1,0
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1,0
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-],1
CC[N+]1(C)CCCC1.F[B-](F)(F)F,0
NCCc1ccc(O)c(O)c1,0
CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C,0
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C)C,1
CNCC[C@@H](Oc1ccccc1C)c1ccccc1,0
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C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O,0
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C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O,1
Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F,1
O=C1C(c2ccc(Br)cc2)=[N+]([O-])c2ccccc21,0
CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)CO,1
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31,1
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(C)cc1,0
CCCCCOC(=O)c1ccccc1C(=O)OCCCCC,0
CNC(=O)O/N=C/C(C)(C)S(C)=O,0
C1CCNCC1.O=C1NC(=S)NC1=Cc1ccccc1O,0
COCCOCCOCCOCCOCCO,0
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,1
CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,1
Cc1cnc(C(=O)O)c[n+]1[O-],0
NCCS,0
CC(CC1=CC=CC=C1)NC,0
O=C(OC(=O)c1ccccc1)c1ccccc1,0
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O,1
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C,0
CCOC(=O)c1cc(-c2ccccc2)c(OC)c(=O)nc1-c1ccccc1,0
CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC,1
CNC(=O)OCC1=CC(=O)C(C)=CC1=O,0
NC(CCC(=O)O)C(=O)O,0
O=C1N(CCCCCC(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N,0
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,1
CCCOc1cc2c(c3oc(=O)cc(CCC)c13)C(=O)C(C)C(C)O2,0
COc1ccccc1NC(=O)CC(C)=O,0
CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O,0
C[N+](C)(C)CCOC(N)=O,0
[Cl-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1,1
CC(Cc1ccccc1)N(C)Cc1ccco1,0
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,1
[H+].[H+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],0
CCOC(=O)C(=O)Cc1cnc2ccccc2n1,0
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21,0
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0
CC(=O)OCCN1CCOC(O)(c2cccc(C(F)(F)F)c2)C1,0
C[n+]1c(-c2ccc(C=NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.[Br-],0
Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
N#Cc1ccc(N(CC(N)=O)CC(F)(F)F)cc1C(F)(F)F,1
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O,0
CCC12CC(=C)C3C(C1CC[C@]2(C#C)O)CCC4=CC(=O)CCC34,1
CC1(C)CCc2cc3c(cc2O1)OCC1c2cc(O)c(OCc4ccccc4)cc2OC31,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCCCCCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21,0
C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N=N2)[C@H]1C1CCC(F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0
CC1OC(c2c(O)ccc3ccccc23)CC(N(C)C)C1O,0
O=[Se]([O-])[O-],0
S=C=Nc1ccccc1,0
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1,0
Oc1ccc(cc1)CC([NH3+])C,1
CC(=O)OC1C(OC(C)=O)C2(C)C(C(OC(C)=O)C3C2C(C)C=C2OC(=O)C(C)(O)C23C)C2C(O)C(=O)C3CC4OC4C(OC(C)=O)C3(C)C12,0
CC(C)(N)CO,0
COc1ccccc1C=CC(=O)c1ccccc1,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)NN=3)c2cc1)(C)C,0
CC(C)OC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br,1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])C2=CC=CC=C2.[Cl-],1
Cc1cn(C2CCC(CO)(CO)CC2O)c(=O)[nH]c1=O,0
COc1ccc(OC)c(OC)c1,0
O=C(NO)Nc1ccc(Cl)c(Cl)c1,0
O=C1c2ccccc2C(=O)c2sccc21,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc3OCCOc3cc2)CC12CCC2)CC(C)(C)C,1
O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0
Cc1ccc(N2COc3ccc4ccccc4c3C2)cc1,0
OC1OCCOC1O,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,0
CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1Cl)O)OC1=C(C=C(C=C1)[C@H](C(=O)N[C@H](CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O,1
CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N,0
Cc1cc2c(cc1Br)C1(C)CCC(C)C1(C)O2,0
Fc1cc(cc(OC)c1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
O=C(CC1=NC2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccccc1)c1ccccc1,0
COC(=O)c1ccc(CBr)cc1,0
Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,0
Cn1c2c(c3ccccc31)C1CCCCC1C1C(=O)NC(=O)C21,0
CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1,0
CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4,0
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,0
Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,0
CCc1n[nH]c(=O)n1-c1ccc2ccccc2c1,0
COC(=O)c1c2c(cc3c1CC1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2,0
Oc1c(Cl)cc(Cl)c(Cl)c1Cl,0
OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,0
O=c1ssc(Cl)c1Cl,0
c1ccc2c(c1)ccc1c3ccccc3ccc21,0
CCn1c(N)c(N=O)c(=O)n(C)c1=O,0
Clc1cc(ccc1O)C[NH+]1CCC2(N(S(=O)(=O)N(C2)C)c2cc(F)ccc2)CC1C,0
NC(=S)NN=Cc1cc2c3c(c1)CCCN3CCC2,0
CN1CCCc2nc3ccccc3n2C1,0
CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42,1
O=C(NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O,0
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1
O=C1CC23CCC4(CC2=CCCC3O1)OCCO4,0
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,0
c1ccc2c(c1)CCc1ccccc1N2,0
O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1,0
CC(=O)SCc1ccco1,0
Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1,0
S(=O)(=O)(Nc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C,1
O=C(O)CNC(=O)c1ccccc1I,0
N#Cc1ccc(Oc2cccc(N)c2)cc1C#N,0
C[N+](C)(C)CCOP(=O)(O)OP(O)(=[OH+])OCC1CCC(n2ccc(=N)[nH]c2=O)O1.[LiH],1
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,1
O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12,0
C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C6CCCC6)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C,1
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(C(F)(F)F)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(C(F)(F)F)c3)c2c1O,0
COC(=O)C1=C(O)C(O)=C(C(=O)OC)C1.[NaH],1
S(=O)(=O)(N(Cc1ccccc1)C)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C,0
CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(=O)[O-])C(O)C[NH2+]Cc1cc(OC)ccc1,1
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,1
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N,1
O=[N+]([O-])c1ccc(CCl)cc1,0
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC,1
CC(=O)CC(=O)Nc1ccc(C)cc1C,0
N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1,0
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN,0
CC(=O)Oc1cccc(C)c1,0
O=c1sc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21,0
O=C1NCCCc2nonc21,0
O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(NC(=S)Nc2ccc(C3=NCCN3)cc2)c1,1
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)C(O)C1[NH2+]CC[NH2+]C1,0
CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C,0
CCOC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)OCC1=NNC(=O)Cc1ccccc1,0
COC(=O)C1CCC(C(=O)OC)CC1,0
CC(C)C(C)(N)C#N,0
C=C(C)C(=O)O,0
Cc1ccccn1,0
Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl,1
NC(=O)c1ncn(CC2(CO)CCC2)n1,0
COC(=O)c1cn2ccc3ccccc3c2c1C(=O)OC,0
CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,0
CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCC4)CCC2,0
C=C(C)C#N,0
C=C(C)CCNCCC=C[Si](C)(C)C,0
CC(C)OP(=O)(OC(C)C)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=N)s1,0
C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1,0
O=C1C(=O)N(c2nccs2)C(=O)C(=O)C1c1nc2ccccc2s1,0
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,1
C1=CO[C@@H]([C@H]([C@@H]1O)O)C(=O)O.Cl,0
O=C(OCc1ccccc1)N1N=NC2C3CC(OCc4ccccc4)(OCc4ccccc4)C(O3)C21,0
NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O,0
O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1cccs1,0
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C,1
O=C(CNC1=NCCN1)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)CNC4=NCCN4)cc3)cc2)cc1,1
Nc1ccc(Cl)cc1,0
O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)C(F)(F)F,0
Cc1ccc2c(n1)Oc1ccc(C(C)C(=O)OCC(=O)N(C)C)cc1C2,1
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,0
CC1=CC(C)N(C(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccc(Cl)cc1,0
COC(=O)C1C=NNC1C(=O)OC,0
S(=O)(=O)(N(c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)c1ccccc1)C,1
CCCCCCCCCCCCO,0
C[C@@H](N)C(=O)c1ccccc1,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)C31,0
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2,1
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,1
CC1(C)CC(O)CC(C)(C)N1[O],0
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,1
CCOP(=O)(OCC)C(Nc1ccc(C(=O)O)cc1)c1ccc(C(Nc2ccc(C(=O)O)cc2)P(=O)(OCC)OCC)cc1,0
C=C(C)C(=O)OCc1ccccc1,0
C=Cc1cccc(CCl)c1,0
COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1,0
Clc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,0
Nc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)O,0
CCCCCC/C=C/CCCCCCCC(=O)O,0
FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1,0
CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C,0
O=S(=O)([O-])CC(O)CCl,0
CC(=C(c1ccccc1)c1ccccc1)N1C(=O)CC(=O)N1C,0
[O-]c1c2c(nn1-c1ccccc1)c1ccccc1c[n+]2Cc1ccccc1,0
C1=CC(=C(C=C1N)O)C(=O)O,1
N#CC(=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O,0
Oc1ccc(O)c2c1N=NC21c2ccccc2Oc2ccccc21,0
COC(O)C12OC3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC3C1Oc1nc(=O)ccn12,0
CCCC(=O)O[C@]1(C(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0
C=CC(C)(C)CC(=O)OC,0
ClC=CCCl,0
NNC(=O)CP(=O)(c1ccccc1)c1ccccc1,0
O=S1(=O)OCCO1,0
CCNC(=O)C(C)OC(=O)Nc1ccccc1,0
COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1C(O)CO.Cl,0
CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1,0
CN(C)CCNC(=O)c1cccc(N(C)C(=O)c2ccccc2)c1[N+](=O)[O-].Cl,0
COc1ccc(OC)c(-c2csc(=O)s2)c1,0
CNC(C)Cc1ccc2c(c1)OCO2,0
c1ccc(C2CC2)c(OCC2=NCCN2)c1,0
O=C1CSC(c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1,0
CC(=O)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,0
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21,0
O=C(O)CSc1nnc(Cc2ccccc2)[nH]1,0
O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2ccccc21,0
COc1ccc2c(c1)-c1[nH]c3ccc(OC)cc3c1CC2,0
CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N,1
N[C@@H]1CONC1=O,0
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O.C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O,0
Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C,0
CC1=CC(=O)CCC1,0
CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)C,1
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl,1
C=CCCCCCC,0
CC(C)N(C)C,0
C=C1C=CC2(Br)OC3CC(C)(Cl)C(Br)CC13C2(C)C,0
CCCCCCCCCCCCCCCCN(C)C,0
O=[N+]([O-])c1ccc(F)cc1F,0
CCCCN(CCCC)C(=S)S[Ni]SC(=S)N(CCCC)CCCC,0
CNCC(O)c1ccc(O)cc1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N,1
O=CC=O,0
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,0
CCCC/C=C/CCCCO,0
Fc1c(cccc1F)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1
Cc1ncsc1CCO,0
C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,1
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F,1
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl.CS(=O)(=O)O,0
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1
COc1ccc(C(C)=O)cc1,0
Fc1ccc(NC(=O)c2ncc(OCC)cc2)cc1[C@]1(N=C(OCC1(F)F)N)C,0
s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1C#N)-c1cc(ccc1)C#N,1
COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)cc(O)c(C=O)c1O2,1
C(C(CS)S)O,0
O=C1NC(=O)C(=O)C(=O)N1,0
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCc4ccccn4)C3=O)N1CC1NC12,0
Nc1nc(S)nc2snnc12,0
CC(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0
COc1cc(C2Oc3c(OC)cc(C=CC(=O)O)cc3C2C(=O)O)ccc1O,1
Clc1cc(cc(C)c1NC(=O)C)CN\C(=N/C(=O)c1c(nsc1C)-c1ccc(OC)cc1)\N,1
N#CC(=Cc1ccc2[nH]ccc2c1)C(=O)NCCCCNC(=O)C(C#N)=Cc1ccc2[nH]ccc2c1,0
C[C@H]1C[C@@H](O)CC(C)(C)C1,0
NC(=O)C(Cl)Cl,0
CC(C)NC(=O)NCCc1c[nH]c2ccccc12,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1nc(C)c(OC)c(c1)C,1
CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,0
CC(C)CCOC(=O)c1ccccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2,0
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.C(=O)(C(F)(F)F)O,0
CCOC(=O)C1=C(C)NC2=C(C(=O)N(c3ccccc3)C2c2ccccc2)C1c1ccccc1,0
Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccncc1)=NS2(=O)=O,0
CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)O,0
CC1=C(Br)CC23C(C1)OC(Br)(C=CC2(C)O)C3(C)C.CC1=CCC23C(C1)OC(Br)(C=CC2(C)O)C3(C)C.CC1=CCC23C(C1)OC(Br)(C=CC2(C)O)C3(C)C,0
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,1
Cc1cccc(/N=N/c2ccc(N(C)C)cc2)c1,1
NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1,0
O=C(CC1NCCS1)OCc1ccc(Br)cc1,0
CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C,1
CC(=O)C(C)O,0
NC(=O)c1ncn(C2C=CC(CP(=O)(O)O)C2)c1N,0
COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C,0
NC(=O)c1ccc([N+](=O)[O-])cc1,0
BrCCCCCCBr,0
FCOC(C(F)(F)F)C(F)(F)F,0
C(=C/c1ccccc1)\c1ccccc1,0
CC[N+]1(C2=C([O-])C(F)(F)C2=O)CCCCC1,0
ClC1=C(Cl)C1(Cl)Cl,0
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3,1
O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C(C)C)C)C=1C)C)Cc1ccccc1,0
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,0
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3],0
CCOC(=O)C(CCc1ccccn1)C(C)=O,0
CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CC)CC[C@@H]12,1
C[Sn](C)(Cl)CC(P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1,0
FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)C#CCCOC)c1ccc(OC(F)F)cc1,1
N=C1Nc2ccccc2Sc2ccccc21,0
CCSCc1ccccc1OC(=O)NC,0
N=c1ccc2c(nc3cccc[c-]3[n+]2=O)n1Cc1ccncc1,0
CNCCSS(=O)(=O)CCNC,1
CCN(CC)CCn1c(C)nc2c1C(=O)c1nc(C)n(CCN(CC)CC)c1C2=O,0
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I,0
COc1cc(OC)c2nc(C)c(CCCl)c(Cl)c2c1,0
COc1ccc2c(c1)NC1(O)c3ccccc3C(=O)C21O,0
CC1(C)C(O)C(C)(C)C1O,0
C(CNCCNCCNCCN)N,1
S=c1nccc[nH]1,0
O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,0
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1
C1=C(NC=N1)CCN,0
Cc1sc(NC=C2C(=O)CC(C)(C)CC2=O)nc1-c1ccccc1,0
CCCSP(=S)(OCC)Oc1ccc(SC)cc1,0
O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\C=C\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,0
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C,0
OCC1CCC(CO)CC1,0
O=C(C(=O)c1ccccc1)c1ccccc1,0
s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N,0
CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0
CC(CN1c2ccccc2Sc2cccnc21)N(C)C,0
CC(C)(C)OC(=O)NNC(=O)C1Cc2ccccc2OC1=O,0
Fc1ccc(cc1C#CC)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1
CCOC(=O)c1ccccc1NN1C(=O)C=CC1=O,0
CCCCCCCCCCCCCCCC(=O)O,0
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC,1
Cc1cc(Cl)ccc1N,0
S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
[N-]=[N+]=[N-],0
C=C1C(=O)C=C2C=C3C(=O)C(C)(C)CC3(O)C12C,0
O=C(C=Cc1ccc[nH]1)c1ccccc1,0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0
c1cc2c(c(N3CCNCC3)c1)OCCO2,0
C[N+](C)(C)C.O=S(O)(=[OH+])c1cc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O[Zn]Cl)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O[Zn]Cl)cc1S(=O)(O)=[OH+],1
C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O,1
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc(O)c12,0
s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3,0
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O,1
NC(N)=O.OO,0
O=S1C(c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2C1c1ccccc1,0
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,0
CC(C)(O)C(=O)O,0
CN(C(=O)C1CC1)C1C2CN3CCC(O2)C13,0
CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#N,1
C=C(C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2,1
CC1=Nc2ccccc2C1(C)C,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1,0
CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,1
CC1CCC(C(C)C)C(OC(=O)c2ccccc2N)C1,0
s1c(ccc1-c1cc(C#N)c(F)cc1)C12N=C(N)N(C)C(=O)C1CN(C2)c1ccccc1,1
Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1,0
O=C1Cc2c([nH]c3cc(Br)ccc23)-c2ccccc2N1,0
O=C(O)c1cccnc1,0
COc1nc(N)c2c3c([nH]c2c1C#N)C(C)(C)c1ccccc1N3C,0
CC1=NC(C)OC1C,0
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1,1
CCOc1ccc(NC(=O)C(=O)CC(=O)C2=C(C)Nc3ccccc3S2)cc1,0
Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
O=C(O)c1cccc(Cl)c1Cl,1
COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCC4C3C2=O)c1,0
COc1cc2c(c([N+](=O)[O-])c1)NC(=O)CC(C)S2,1
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1,1
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)N(CC2)C)C)c(F)cc1,1
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O,0
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CCl,0
O=[N+]([O-])c1ccc(-n2nc3ccc4nonc4c3n2)cc1,0
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,1
[N-]=[N+]=CC(=O)OC1CCc2ccccc21,0
N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2,0
CC1C(c2ccccc2)[OH+][B-]([FH+])(c2ccccc2)N1C,0
CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCC,0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1
C=C1CC23CC4C5C6(C)CC(O)CC57C(C2C(O)C1C(O)C37)N4C6,0
N#Cc1c(C(N)=O)ncn1Cc1ccccc1,0
CN1C(=NN=N1)SCC2=C(N3C([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O,1
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]C[C@H](OCc2ccccc2)C1,1
CC1CC(=O)N(N(C)C)C(C#N)(C#N)C1(C#N)C#N,0
O=C(Cl)c1ccc(C(=O)Cl)cc1,0
O=[Mo](=O)=O,0
CC1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N3)CO)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)CC4=CC=C(C=C4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN,0
CC(C)CC(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccccc1,1
Cc1c(-c2cnccn2)ssc1=S,0
NC(=O)Nc1ccccc1,0
Cn1nnn2c(-c3ccccc3)nnc12,0
CC[n+]1ccccc1,1
Cc1ccc(S(N)(=O)=O)cc1,0
C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,0
N=c1[nH]c2c(C(=O)c3cccs3)nnn2c2cccc(Cl)c12,0
Fc1cc(F)ccc1CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
N#Cc1ncoc1N,0
CC1CCC(C(C)C)C(O)C1,0
O=C1CCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=S)N1,0
NNc1nnc(NN)c2ccccc12,0
S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1,1
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)C(=O)CCC5)C3)CCCC2,0
CCCCCCCC(=O)OCCCCCC,0
Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccccc2)cc1,0
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,1
[I-].[K+],0
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,1
CCOC(=O)C1Cc2ccc3c4c(ccc(c24)C1)CC(C(=O)OCC)C3,0
O=Cc1c2ccccc2c(Cl)c2ccccc12,0
CC(=O)CC(=O)Nc1ccccc1,1
CCOC(=O)c1cnn2c1ncc1c(=O)n(NC(N)=O)ccc12,0
O=C(O)c1ccc(C(=O)O)cc1,0
CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccc([N+](=O)[O-])c1,0
Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCCCl)OCCCl)ccc12,0
CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,0
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,1
CC1(C)OC2OC(C3OCC4OC(n5ccc(=O)[nH]c5=O)C(O)C4N3O)C3OC(C)(C)OC3C2O1,0
CC(C)C=Cc1cc(C=CC(=O)c2cc(C=CC(C)C)c(O)cc2O)ccc1O,0
COc1ccc(C(C2=C(O)CC(C)OC2=O)C2=C(O)CC(C)OC2=O)cc1,0
CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O,1
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,0
CN1[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5C=NC=N5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,1
O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl,0
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,0
COc1ccc(OC)c(N=Nc2cc(OC)c(N=Nc3c(O)nc4ccccc4c3O)cc2Cc2ccccc2C(=O)O)c1,0
S1(=O)(=O)CC(Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1
Cc1nc(C(N)=S)sc1C(=O)CC(=NN)C(=O)Nc1cccc(Cl)c1C,0
CCCCCCC(O)CCCCCCCCCCC(=O)O,0
Nc1ccc(Oc2ccc(N)c(N)c2)cc1,1
O=C1CCC(N2C(=O)C3C4c5ccccc5C(c5ccccc54)C3C2=O)C(=O)N1,0
COc1cc2c(cc1OC)C1Cc3ccccc3CCN1CC2,0
CC(=O)N1CCN(c2ccc(O)cc2)CC1,0
CC(C)CC(F)(C(N)=O)C(N)=O,0
O[C@H](CBr)[C@@H](O)[C@H](O)[C@H](O)CBr,0
COc1ccc(C(C#N)=Cc2cccc(N)c2)cc1,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,0
COC(=O)C(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1,0
C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(CCOC(=O)C=C)c1=O,0
O=C1CCN(c2ccccc2)N1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C,1
COC(=O)c1ccc(C)cc1,0
CCn1c2c(n(CC)c1=S)-c1c(n(CC)c(=S)n1CC)SSSS2,0
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,0
O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC,1
CN(C)NC(=O)NC12CC3CC(CC(C3)C1)C2,0
O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1,0
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)F,1
c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,0
C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O,1
C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,0
CC12CCC(C(C(O)C3CCCCC3)C1=O)C2(C)C,0
O=S1(=O)OCCCO1,0
CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1,1
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,0
CCn1c2ccccc2c2c(-c3ccccc3)cc3c(c21)C(=O)N(c1ccccc1)C3=O,0
CCCCCCCCS(=O)(=O)Cl,0
CCCc1cc2c(O)c(C(=O)OC)cnc2cc1N(CC)CC,0
CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
O=C(O)c1ccccc1Cl,0
CC(C)c1ccc(C#N)cc1,0
CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13,1
Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O,0
S1CC(=NC1(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1)N,0
CCCCCCCCCCCc1c2oc3ccccc3nc-2cc(Nc2ccccc2O)c1=O,0
n1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)Cc1ccccc1,0
CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3],0
CNC(=O)N(C)c1nc2ccccc2s1,0
Oc1cccc(Cl)c1,0
O=[N+]([O-])c1ccc(N2N=C(c3ccc(NCc4nc5ccccc5[nH]4)cc3)CC2c2ccco2)cc1,0
CCCCCOc1ccccc1/C(=C\SC)n1ccnc1,0
O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,0
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1,0
CC(C[N+](C)(C)C)OC(=O)N,0
CCNCC,0
COc1ccc(C(=O)/C(Br)=C\C(=O)O)cc1,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]CC#C)Cc1ccccc1)C,1
N#Cc1ccc(C(=O)O)cc1,0
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1,0
CN1CSC(=S)N(C)C1,0
S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1
CC(=O)c1nccs1,0
CCOC(=O)COc1cccc2c1C(=O)CCO2,0
CC(CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO)OCCO,0
COC(=O)N1C2C=CC=CC=C2C(OC)N1C(=O)OC,0
CC12CCC(CC1)C(C)(C)O2,0
O=C(O)C(CCSSCCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
CCC(C)OC(C)CC,0
CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,1
Cc1ccc(C)c2ccccc12,0
CCCCON=O,0
CC(C)N(CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21)C(C)C.Cl,0
O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34,0
[Cl-].[N-]=[N+]=[NH+][Co-4](N)(N)(N)(N)[NH+]=[N+]=[N-],0
O=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)OCCO2,0
CN1CCC[C@@H]1c1cccnc1,0
O=C(NCC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C,1
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O,1
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,1
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nn(C)c(=O)o2)cc1,0
CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1,1
COc1cc2nncc(Sc3cnc4ccccc4n3)c2cc1OC,0
O=C1CCCC(=O)C1,0
C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O,1
CCN(C(=O)NC(C(=O)NC(CSC)C(=O)NC(C)C(=O)OC)C(C)C)c1ccccc1,0
COc1ccccc1N1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O,0
CCCCCCCCCCCCC1CO1,0
CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C,0
O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1
CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C,1
CC(C(=O)O)O,0
COc1cc(C=C2CC(C)CC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,0
CCN(CC)CCCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,0
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,1
C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2,0
Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC)cc1,1
CC(NC(=O)N(C)C)NC(=O)N(C)C,0
Cc1ccc2ccc3cccc4ccc1c2c34,0
COC(=O)C1C=CN(N(C)C)C2=C1C(=O)c1c(O)cccc1C2=O,0
Nc1nc2ccc([N+](=O)[O-])cc2s1,0
CCO[Si](OCC)(OCC)OCC,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1
CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,0
COc1cc(-c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,0
CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,1
N.O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2cc(Cc3ccc(O)c(C(=O)O)c3)c(O)c(C(=O)O)c2)C=CC1=O,0
C#CCN[C@@H]1CCc2ccccc21,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CC(C)(C)C5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0
S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C,1
Fc1c(F)c(F)c(Br)c(F)c1F,0
CCOC(=O)CC(C(C)=O)C(C)=O,0
C1CC(COCC2CO2)CCC1COCC1CO1,0
C=CC(C)(O)CC/C=C(/C)CCC=C(C)C,0
CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,1
CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1,0
NC(=O)c1cccnc1,0
CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C,1
CSc1nnc2c(=O)n(C)c(=O)n(C)c2n1,0
CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,0
CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,0
CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O,0
[O-]S(=O)(=S)[O-],0
CC(C)CC(=O)C1C(=O)c2ccccc2C1=O,0
Cn1c2ccccc2c2nnc(S)nc21,1
COc1ccc2c(c1)Oc1cc(O)ccc1C2c1ccccc1C(=O)NC(C)c1ccccc1,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=CC(=O)Nc1ccccc1,0
Oc1ccc2ccccc2c1OCc1nnc(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)n2Nc2ccccc2)n1Nc1ccccc1,0
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C1)C(F)(F)F)N)C,0
O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N,0
CC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1ccccc1Cl)S2,1
Brc1ccc(Oc2ccccc2)cc1,0
CCCCC1Sc2cc(OC)cc3nnn(c23)C1=O,0
CCOC(=O)C=Cc1ccccc1,0
CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F,1
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,0
CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,0
c1cc(N(CC2CO2)CC2CO2)ccc1OCC1CO1,0
C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=O)CN31,1
CCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCC)c4c3O)c(O)c12,0
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,0
C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O,0
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,1
O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-],0
CO[Si](OC)(OC)OC,0
Br.Clc1ccc(C2=CSC3=NCCN23)cc1,0
O=C(NC(C)C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0
CNC(=S)N(C)C(=S)Nn1c(=O)c(C)nn(C)c1=S,0
CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,0
CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1,0
CCN(CC)C(=O)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C,0
O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1
CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3,0
CCN1CCCC1=O,0
CC12CC3CCC(=NO)C(C1)C3(N1CCOCC1)CC2=NO,0
Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br,0
CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC1CCC(C(=O)O)C1,0
CN1CCN(c2ncc3c(n2)sc2c(=O)n(-c4ccccc4)cnc23)CC1,0
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O,0
NCC1CCC(C(=O)O)CC1,0
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=S)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1C.[NaH],1
CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N,1
CC(C)C(=O)c1ccccc1,0
CCCCCC#CC(=O)OC,0
CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(C(=O)OCCCCCCCC)c1,0
s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
CC(=O)OCc1nc(C#N)c(N)o1,0
CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O,1
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C1C,0
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)c1ccccc1,0
CCCCC(CC)COS(=O)(=O)[O-],0
CC1(CCCO)CCCCCC(C)(CCCO)C1=O,0
O=C(NNCS(=O)(=O)[O-])c1ccncc1,0
O1CCN(CC1)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(OCc2ccccc2)=O)=C1C,0
C(=C\c1ccccc1)\c1ccccc1,0
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F,1
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC,1
CCCSC(=O)Cl,0
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccccc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccccc1,0
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,0
NCCCN1CCOCC1,0
O=C(Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1)c1ccccc1,0
CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1,0
CC(=O)CC(C)=O,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C2NC(Cc3c[nH]c4ccccc34)C(=O)O2)cc1,0
CC(C)(C#N)/N=N/C(C)(C)C#N,0
CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,1
NC12CC3CC(CC(C3)C1)C2,0
CCCN(CCC)CCc1cccc2c1CC(=O)N2,0
N#CC(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(N)=O,0
CN(C)C(=O)C(NCCO)c1ccccc1,0
COC(=O)[C@@H]1[C@H]2CCC(N2CCCF)C[C@@H]1C3=CC=C(C=C3)I,0
CC1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1CCCN1C(=O)c2ccccc2C1=O,0
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,1
c1ccc(-c2nc3sc(-c4ccccn4)nc3s2)nc1,0
Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2,0
NC(=O)NC1NC(=O)NC1=O,1
CCC(O)OCCCOC,0
S(=O)(=O)(N(C)c1cc(cc(c1)C[NH2+]CC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0
CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,1
O=S1(=O)OC(c2ccc([O-])cc2)(c2ccc(O)cc2)c2ccccc21,0
CCN(C1=CC=CC=C1C)C(=O)C=CC,0
O=C1NC2NC(=O)NC2N1,0
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,1
c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,0
Nc1nc(Cl)cc(NCC2(CO)CC(Cc3ccccc3)C2)n1,0
S1(=O)(=O)C[C@@H](Cc2cc(F)c3NCC4(CCC(F)(F)CC4)c3c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1
O=[N+]([O-])C(Cl)=CC(=C(Cl)Cl)[N+](=O)[O-],0
CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1,0
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-],1
CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C,1
CC(=O)N(CCN)CCN,0
O=C(c1ccccc1)N1CCN(C(=S)N(C(=O)c2ccccc2)c2ccccc2)C1=S,0
CC(=O)OCc1ccco1,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,1
CN[C@]1(c2ccccc2Cl)CCCCC1=O,0
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,0
Nc1ccccc1C(=O)OCCc1ccccc1,1
Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(CC(OC(C)C)=O)C(C)=C(C(=O)C)[C@H]2C)Cc2ccccc2)ccc1,0
CC(C)CCCC(C)(C)O,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CO)c1cc(ccc1)C(C)(C)C,1
C=COC(=O)C(C)(CC)CCC(C)C,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O,1
ON=C(Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F,0
Cc1cc(N)no1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)C(O)C1[NH2+]Cc2c(C1)cccc2,0
COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCN1CCOCC1)CC2,0
CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC,0
CC1=C(C(=CC=C1)C)OCC(C)N,1
C[N+](C)(C)CC(CC(=O)O)O,0
Fc1ccc2nncc(SCc3ccc(Cl)c(Cl)c3)c2c1,0
COc1cc(C2C3C(=O)c4ccccc4C3C(c3cc(OC)c(OC)c(OC)c3)C23Cc2ccccc2C3=O)cc(OC)c1OC,0
C1CCC(CC[N+]23CC[N+](CCC4CCCC4)(CC2)C3)C1,0
N.[N-]=[N+]=[N+]=C1CC(n2ccc(=N)[nH]c2=O)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O,1
COc1ccc2c(c1)c1c(n2CCN(C)C)-c2cccc(OC)c2CC1,0
CCOC(=O)c1nc2c(C)nc(N(C)C)nc2n(C)c1=O,0
[N]=O,0
CCOC(=O)NCCC[Si](OCC)(OCC)OCC,0
Cc1cccc(C(=O)O)c1[N+](=O)[O-],0
CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O,0
C=CCCCCC1CCC2CCC(CCCC)N12,0
Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12,0
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C,1
NCCc1cnc[nH]1,0
O=C(CC(Cl)C(NC(=O)OCc1ccccc1)C(=O)O)NO,0
Cc1ccc(C(=O)O)c(CC2Cc3c(C)cccc3C2=O)c1,0
CC1COc2ccccc2N1C(=O)C(Cl)Cl,0
CCCCCCCCCCCCCC[N+](C)(C)C,0
COC(=O)c1c2n(c3ccccc13)CC1OC(C)(C)OC21,0
O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,0
Cc1ncc(CO)c(CN)c1O,0
CCCC[N+]1(C)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0
C=C(C)C(=O)OCC(C)C,0
COc1cc(N=CNc2cc(OC)n[n+]([O-])c2)c[n+]([O-])n1,0
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C(CC)C)Cc1ccccc1)C,1
O=[PH](O)c1ccsc1,0
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,0
COC(c1ccccc1)(c1nc(C#N)c(N)o1)C(F)(F)F,0
Fc1ccc(F)cc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1ccncc1,0
C1=CC=C(C=C1)CCNN,1
CC(CCC(=O)O)C(=O)O,0
CN(C)c1ccc(NC2=NC(=Nc3ccccc3)C(=Nc3ccccc3)S2)cc1,0
CCOP(=O)(CCCC(O)CNc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)OCC,0
Cc1ccccc1S(=O)(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,0
COc1ccc(NC2Oc3cc4c(cc3C(c3cc(OC)c(OC)c(OC)c3)C2C)OCO4)cc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])COc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C,1
CN(N=Cc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1,0
c1ccc2c(c1)Nc1ccccc1S2,0
c1ccc(-c2nnn[nH]2)cc1,0
CC(CN)CC(C)(C)CCN,0
FC(F)Oc1cc(ccc1OC(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1
CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C,0
CC(C)NCC(COC1=CC=CC=C1OCC=C)O,0
CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C,0
O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCNCCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O,0
CCC1COC(=O)O1,0
NC(=O)NS(=O)(=O)c1ccc(N)cc1,1
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC,1
NC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F,0
[I-].c1ccc([P+](CCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0
COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1,1
CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC,1
NC(=O)OCC(COC(N)=O)c1ccccc1,0
CN1C(=O)c2ccccc2Cc2c(NCc3ccccc3)ncnc21,0
COC(C)OC,0
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,0
CCOC(=O)C1(C)CCC(C(C(=O)O)C(=O)O)CC1=O,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C,0
O=C1CSC(c2ccc(Cl)cc2)N1N1C(=O)CSC1c1ccc(Cl)cc1,0
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1,1
CCCCS(=O)(=O)Cl,0
CC1=Nc2c(O)nc(S)nc2NC(c2ccc(Cl)c(Cl)c2)C1,0
CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,0
O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1,0
CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5,1
CC(C)CCC1(O)OC2CC3C4CCC5CC(=O)C=CC5(C)C4CCC3(C)C2C1C,0
Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,0
COc1ccccc1NC(=S)NN=C(C)c1cccc(C(C)=NNC(=S)Nc2ccccc2OC)n1,0
Nc1c(C(=O)Nc2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-],0
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,1
CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,0
OC12CCC(=NOCc3ccccc3)CC1c1ccccc12,0
Cc1c(C(=O)c2cnn(C)c2O)ccc(S(C)(=O)=O)c1C1=NOCC1,0
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.C(=CC(=O)O)C(=O)O,1
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N1CCCC1C(=O)OCc1ccccc1)C(C)C)C(C)C,0
c1ccc(CNc2[nH]cnc3ncnc2-3)cc1,0
C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C,1
CC(=O)OCC=Cc1ccccc1,0
O=C(O)CCSCc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(CSCCC(=O)O)c5ccccc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ccccc12.[NaH],1
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O,0
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl,1
CNC(=O)Oc1cccc(C(C)C)c1,0
CI.CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2,0
COCCOC(=O)NCCCC[C@@H](C(=O)NCCCCCCCOP(=O)(C)O)NC(=O)OCCOC,0
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl,1
O1c2c(cc(cc2)-c2cc(OC(C)C)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
[Mn+2],0
CC1CC(O)CC(C)(C)C1,0
Nc1ccncc1,0
Clc1cc(Cl)c2c(c1)N=C1CCCCCN1C2,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,1
Cc1ccc(C=NNc2cc(C)c3ccccc3n2)s1,0
c1ccc(C2CO2)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cc(F)cc2)C(O)C[NH2+]Cc1cc(OC)ccc1,1
O=S(=O)(O)c1cc(Nc2ccnc3ccccc23)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1.[NaH],0
COC(=O)C1SCC2C(=O)N(c3ccccc3)C(=O)N21,0
NC(=O)SCC(=O)Nc1ccc2cccc3c2c1CC3,0
CC1CCCCNC1=S,0
CCOc1ccc(NC(=O)CC2SC(Nc3ccc(C)cc3)=NC2=O)cc1,0
Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C,1
CCCCOC(=O)C(=O)Nc1cccc(-c2nnn[nH]2)c1,0
Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,0
Cc1ccc(C(=O)C=C2Nc3c(c(=O)oc4ccccc34)N=C2NC23CC4CC(CC(C4)C2)C3)cc1,0
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O,1
Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1,0
CCCC1=CC(=O)NC(=S)N1,1
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl,1
CC(C)CC(O)Cc1ccccc1,0
CC(Cl)(Cl)[N+](=O)[O-],0
NCCCC(=O)O,0
CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1,0
s1ccnc1-c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1
C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N.CS(=O)(=O)O.CS(=O)(=O)O,1
CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C,1
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(O)cc2S(=O)(=O)[O-])cc1,0
O=[N+]([O-])c1nccn1CC(O)CF,0
O=C(C=C1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1)c1ccncc1,0
Clc1cc(Cl)c(Cl)c(Cl)c1,1
S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)(F)C(F)(F)F)Cc1ccccc1)C,1
O=[N+]([O-])O[Cd]O[N+](=O)[O-],0
COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C1c1ccccc1,0
Oc1cc(NCC2CCCCC2)nc(O)n1,0
COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2,0
O=C(O)C=Cc1ccc(OS(=O)(=O)O)cc1.[KH],0
CCOC(=O)c1c(SC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,0
CC1=NC=CN1.C1C(O1)CCl,1
O=[N+]([O-])c1ccc(NN=C2C=C(S(=O)(=O)O)c3ccccc3C2=NNc2ccc([N+](=O)[O-])cn2)nc1,0
Cl[C@H]1OCCO[C@@H]1Cl,0
Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,0
CCCCCCCCCCCCCCCCN1CCCCCC1=O,0
O=C(O)CCN1CCN(CCC(=O)O)CCN(CCC(=O)O)CC1,0
C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O,0
CCOC(=O)N1CCc2cc(OC)c(OC)cc2C1=Cc1ccc(OC)c(OC)c1,0
CCN(CC)CSc1nc2ccccc2o1,0
COC(=O)C1C(=O)C(C(=O)OC)C2C(C(=O)OC)C(=O)C(C(=O)OC)C12,1
Cc1[nH]cnc1-c1ccc(Cl)cc1,0
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O,1
O(C)c1cc(ccc1)CN1CC(NC1=O)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1,1
COc1cc(C=C2C(=O)N(Cc3ccccc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,0
CCCCCCC1(C)CCC(=O)O1,0
COc1cc2c3c(c1)ncn3C(=O)CS2,0
CC(C(=O)O)c1ccc(-n2nnc3c(O)nnc(O)c32)cc1,0
C[Si](C)(CCC(=O)O)O[Si](C)(C)CCC(=O)O,0
N#Cc1sc2c(c1OC(=O)c1ccc(Cl)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,0
Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1
O=C1CC(C(NC(=O)OCc2ccccc2)C(=O)O)ON1,0
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCCN1C(=O)OCc1ccccc1,0
CC1=C2C=CC(=O)N2C2C(N1)C(=O)N(C)C(=O)N2C,0
CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,0
COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC,0
C=C(C)C(=O)NC(=N)NC#N,0
COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C,0
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl,1
O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N,0
CCOC(=O)C(=O)OCC,0
CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1,1
O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC1CC1,1
CN(C(=O)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F)c1ccccc1,0
O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F,1
CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)C,1
CSc1nc(-c2ccc(C)cc2)nn1C(=O)N(C)c1ccccc1,0
CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)C,1
CCCCCCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCOCC1,0
COc1ccc(-c2nc(SC)n(C(=O)N(C)C)n2)cc1,1
CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)c1ccccc1,0
CCSc1nc(-c2ccc(OC)cc2)nn1C(=O)N1CCOCC1,0
CSc1nc(-c2ccc3ccccc3c2)nn1C(=O)N(C)C,1
C[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)C(C)(C)C)cc1,0
CSc1nc(-c2ccc(-c3ccccc3)cc2)nn1C(=O)N(C)C,1
CSc1nc(/C=C/c2ccccc2)nn1C(=O)N(C)C,1
CCCCCCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCCCC1,1
CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)c1ccccc1,0
Cc1c(C(C)C)c(=O)on1C(=O)N1CCC[C@H](C)C1,0
CCSc1nc(-c2ccc(OC)cc2)nn1C(=O)N(C)c1ccccc1,0
CCCCCCSc1nc(-c2ccc(C)cc2)nn1C(=O)N(C)c1ccccc1,0
CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCCCC1,1
O=C(N1CCOCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F,0
CSc1nc(-c2ccc(C)cc2)nn1C(=O)N(C)C,1
CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCOCC1,0
CCCCCCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)c1ccccc1,0
CCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)C,1
CCCCCCSc1nc(-c2ccc(C)cc2)nn1C(=O)N(C)C,1
CCCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)C,1
Cc1ccc(-c2nc(SCC(F)(F)F)n(C(=O)N(C)C)n2)cc1,1
COc1nn(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(=O)o1,0
CSc1nc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)N(C)C,1
C[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1,0
CSc1nc(-c2ccc(C)cc2)nn1C(=O)N1CCOCC1,0
CCN(CC)CCS/C(=N\O)C(=O)c1ccc(OC)cc1,0
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-],1
C[N+](C)(C)CCS/C(=N\O)C(=O)c1ccc(F)cc1.[Cl-],0
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCN4CCOCC4)ccc3N(C)[C@@H]12,0
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,1
Cc1ccc(C(=O)/C(=N/O)SCC[N+](C)(C)C)cc1.[Cl-],0
N#CC(C#N)=C1Nc2ccccc2N1CCNCc1ccc(CN2CCCCC2)o1,1
COc1cc(N)c(Cl)cc1C(=O)NCCNCc1ccc(CN(C)C)o1,0
CCN(CC)CCS/C(=N\O)C(=O)c1ccc(Cl)cc1.Cl,0
CN1CCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)CC1,0
Oc1nc2ccccc2n1CCNCc1ccc(CN2CCCCC2)o1,0
CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(OC)cc1.[Cl-],0
Cc1ccc(C(=O)/C(=N/O)SCCN(C)C)cc1.Cl,0
CC1CCCCN1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1,1
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCCCC2)o1,1
CNC(NCCNCc1ccc(CN2CCCCC2)o1)=C(C#N)C#N.Cl,1
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,0
COc1ccc(C(=O)/C(=N/O)SCC[N+](C)(C)C)cc1.[Cl-],0
CN(C)CCS/C(=N\O)C(=O)c1ccc(Cl)cc1.Cl,0
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCC(O)CC2)o1,1
CN(C)Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1,1
CCN(C)Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1,1
COc1ccc(C(=O)/C(=N/O)SCCN(C)C)cc1,0
CCN(CC)Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1.Cl,1
CN(C)Cc1ccc(CNCCN2CCN/C2=C\[N+](=O)[O-])o1,0
CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(Cl)cc1.[Cl-],0
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCN4CCOCC4)ccc3N(C)[C@@H]12,0
CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,1
CN1CC[C@@]2(C)c3cc(OC(=O)NCCN4CCOCC4)ccc3N(C)[C@@H]12,1
NC(=O)c1cc[n+](COC[n+]2ccccc2/C=N/O)cc1.[Cl-].[Cl-],0
CNC(NCCNCc1ccc(CN(C)C)o1)=C(C#N)C#N,1
CNC(NCCNCc1ccc(CN(C(C)C)C(C)C)o1)=C(C#N)C#N,0
CC(C)N(CCS/C(=N\O)C(=O)c1ccc(Cl)cc1)C(C)C.Cl,0
C[n+]1ccccc1C=NO,0
CCN(CC)CCS/C(=N\O)C(=O)c1ccccc1.Cl,0
CC1CCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)CC1,1
CCN(CC)CCS/C(=N\O)C(=O)c1ccc(Br)cc1.Cl,0
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,1
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCCC2)o1,1
Cl.N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CC=CCC2)o1,1
CN(C)CCS/C(=N\O)C(=O)c1ccc(Br)cc1.Cl,0
CCN(CC)CCS/C(=N\O)C(=O)c1ccc(C#N)cc1.Cl,0
CNC(NCCNCc1ccc(COC)o1)=C(C#N)C#N,0
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,1
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,1
CNC(NCCNCc1ccc(CN2CCCC2)o1)=C(C#N)C#N,1
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCOCC2)o1,0
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCSCC2)o1,0
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,1
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,1
CC1CCCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)C1,1
CC1CCCC(C)N1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1,0
CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(F)cc1.[Cl-],0
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,1
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,0
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,1
CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(C#N)cc1.[Cl-],0
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,1
COC1CCCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)C1.Cl,0
C[N+](C)(C)CCS/C(=N\O)C(=O)c1ccc(Br)cc1.[I-],0
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCCC(O)C2)o1,1
C/N=c1\c(O)c(O)\c1=N/CCNCc1ccc(CN2CCCCC2)o1,0
CN(C)CCCS/C(=N\O)C(=O)c1ccc(Br)cc1.O=C(O)C(=O)O,0
Cl.N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCCCCC2)o1,1
COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC,0
COc1ccccc1CNCCCCCCNCCCCCCCNCCCCCCNCc1ccccc1OC,0
COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC,1
COc1ccccc1CNCCCCCCNCCCCCCNCCCCCCNCc1ccccc1OC,0
COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC,0
COc1ccccc1CNCCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCNCc1ccccc1OC,1
NCCCCCCNCCSSCCNCCCCCCN,0
COc1ccccc1CNCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCNCc1ccccc1OC,0
COc1ccccc1CNCCCCCCNCCCCCNCCCCCCNCc1ccccc1OC,0
NC12CC(C(F)(F)F)=CC(Cc3nc(O)ccc31)/C2=C\C(F)(F)F,0
C[n+]1ccn(COCC(C)(C)[N+](=O)[O-])c1/C=N/O.[Cl-],0
C/C=C1\C2C=C(C(F)(F)F)CC1(N)c1ccc(O)nc1C2,1
Nc1c2c(nc3ccccc13)-c1ccccc1CO2,0
C[n+]1ccccc1/C=N/O.[Cl-],0
Nc1cc(-c2ccccc2)nc2ccccc12,0
CN(CCn1cc[n+](C)c1/C=N/O)S(C)(=O)=O.[Cl-],0
C[n+]1ccn(COCCS(C)(=O)=O)c1/C=N/O.[Cl-],0
CC1=CC2Cc3nc(O)ccc3C(N)(C1)/C2=C/C(F)(F)F,0
Nc1c2c(nc3ccccc13)-c1ccccc1C2,1
Nc1c2c(nc3ccccc13)-c1ccccc1CC2,0
Nc1c2c(nc3ccccc13)-c1ccccc1CS2,0
C[n+]1ccn(CCN2CCCC2)c1/C=N/O.[Cl-],0
C/N=C1/CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21,0
COc1cc2cc(C(=O)CC(O)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],1
C/N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21,1
COc1cc2cc(C(=O)CC3=CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],1
COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccccc4)cc3)sc2cc1OC,1
COc1cc2cc(C(=O)CCC3CC[N+](C)(CCOc4ccccc4)CC3)sc2cc1OC.[Br-],1
CCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1.[Br-],0
COc1cc2cc(C(=O)CCc3cc[n+](CC4CCC4)cc3)sc2cc1OC.[Br-],1
C/N=C1/CCc2c1n(C)c1cc(Cl)c(OC(=O)NC)cc21,1
COc1cc2cc(C(=O)CCCCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],1
CC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1.[Br-],1
CNC(=O)Oc1ccc2c(c1)c1c(n2C)/C(=N\CCc2ccccc2)CC1,1
CCCn1c2c(c3c(Br)c(OC(=O)NC)ccc31)CC/C2=N/CC,1
COc1cc2cc(C(O)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],0
COc1cc2cc(C(=O)CCC3CC[N+](C)(CC#N)CC3)sc2cc1OC.[Br-],0
COCC[N+]1(C)CCC(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)CC1.[Br-],1
COC(=O)c1ccc(C[n+]2ccc(CCC(=O)c3cc4cc(OC)c(OC)cc4s3)cc2)cc1,0
CCCCNC(=O)Oc1ccc2c(c1Br)c1c(n2C)/C(=N\C)CC1,0
COc1cc2cc(C(=O)C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],1
COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2cc1OC,1
COc1cc2cc(C(=O)CC(OC)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],1
COc1cc2cc(C(=O)CCc3cc[n+](CC4CC4)cc3)sc2cc1OC.[Br-],1
C/N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)cc21,0
COc1cc2cc(C(=O)CC3(O)CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],1
COc1cc2cc(C(=O)CCC3CC[N+](C)(CC4CCCCO4)CC3)sc2cc1OC.[Br-],1
COc1cc2cc(C(=O)CCc3cc[n+](C)cc3)sc2cc1OC.[Br-],1
COCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1,1
COc1cc2cc(C(=O)CC(O)CCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],1
COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccsc4)cc3)sc2cc1OC,1
CC/N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21,1
C/N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21,1
COC(=O)C[N+]1(C)CCC(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)CC1.[Br-],1
COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],1
COc1cc2cc(CC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],0
CC/N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21,1
CCC/N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)cc21,0
C=CC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1.[Br-],1
CCOCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1,1
C/N=C1/CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21,1
COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-],0
COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccc([N+](=O)[O-])o4)cc3)sc2cc1OC.[Br-],1
CC/N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)cc21,0
COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC.[Br-],1
COc1cc2cc(C(=O)CCC3CC[N+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC.[Br-],1
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCNC1N2,1
C[C@@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc12,1
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)C1N2Cc1ccccc1,1
Nc1c2c(nc3ccccc13)C1CCC2C1,1
CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CCNC12,1
CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3NC12,1
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(Cc3ccccc3)C1N2Cc1ccccc1,0
Nc1c2c(nc3c(Cl)cccc13)CCCC2,1
COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,1
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCNC1N2C,1
Nc1c2c(nc3cccc(Cl)c13)CCCC2,1
CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)C1N2C,0
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(Cc3ccccc3)C1N2C,1
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)C1N2,1
Nc1c2c(nc3cc(Cl)ccc13)C1CCC2C1,1
Nc1c2c(nc3cc(Cl)ccc13)CCCC2,1
Nc1c2c(nc3c(Cl)cccc13)C1CCC2C1,1
CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)C12,1
CN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)C12,0
C[C@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc12,1
CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCNC1N2,0
C[C@@]12CCN(Cc3ccccc3)C1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc12,0
CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(Cc3ccccc3)C1N2Cc1ccccc1,0
Nc1c2c(nc3cccc(Cl)c13)C1CCC2C1,1
Nc1c2c(nc3ccc(Cl)cc13)CCCC2,1
Nc1c2c(nc3ccc(Cl)cc13)C1CCC2C1,0
Cl.Cl.O.c1ccc(CN2CCC(CCOc3ccc(-c4ccccc4)nn3)CC2)cc1,1
Nc1c2c(nc3c1CCCO3)CCCC2,1
COc1cccc2nc3c(c(N)c12)CCCC3,1
Cl.Cl.c1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1,1
Cl.Cl.O.c1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3CCC4)CC2)cc1,1
Nc1c2c(nc3cccc(F)c13)OCCC2,1
Nc1c2c(nc3cnccc13)OCCC2,1
Cl.Cl.O.c1ccc(CN2CCC(CCNc3cc4ccc5ccccc5c4nn3)CC2)cc1,1
Nc1c2c(nc3c1CCCC3)CCCC2,1
Cc1cccc2nc3c(c(N)c12)CCCC3,1
Cl.O.c1ccc(CN2CCC(CCN=c3cc4c(n[nH]3)-c3ccccc3C4)CC2)cc1,1
Nc1c2c(nc3ccc(Cl)cc13)OCCC2,0
Nc1c2c(nc3cccc(F)c13)CCCC2,1
Nc1c2c(nc3ncccc13)CCCC2,1
Nc1c2c(nc3c1CCC3)CCCC2,1
Cl.Cl.c1ccc(CN2CCC(CCSc3ccc(-c4ccccc4)nn3)CC2)cc1,1
Nc1c2c(nc3ncccc13)OCCC2,0
Nc1c2c(nc3cnccc13)CCCC2,0
COc1cccc2nc3c(c(N)c12)CCCO3,1
Nc1c2c(nc3ccccc13)OCCC2,1
Cc1cc(=NCCC2CCN(Cc3ccccc3)CC2)[nH]nc1-c1ccccc1.Cl.Cl.O,1
CCc1cc(=NCCC2CCN(Cc3ccccc3)CC2)[nH]nc1-c1ccccc1.Cl.Cl.O,1
Cl.Cl.O.c1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3CC4)CC2)cc1,1
Nc1c2c(nc3cccc(Cl)c13)OCCC2,1
O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1,0
Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(CCc1ccccc1Cl)N[C@@H](Cc1ccccc1)C(=O)CCl,0
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1,0
O=C(CCc1cccc(O)c1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
Cc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1,0
O=C(CCc1ccccc1F)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(CCc1cccc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(CCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(CCc1ccc(O)cc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(CCc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC,0
COc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(CCc1ccc(C(F)(F)F)cc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1,0
O=C(CCCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
Cc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1,0
O=C(CCc1cccc(F)c1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
CCc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1,0
O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
CC(C)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1,0
O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(CCc1cccc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
O=C(CCc1cccc(Cl)c1Cl)N[C@@H](Cc1ccccc1)C(=O)CCl,0
COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1OC,0
O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1,0
O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)c1ccccc1,0
O=C(CCc1ccc(F)cc1)N[C@@H](Cc1ccccc1)C(=O)CCl,0
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O,0
CCCCC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O,0
CCCCCC/C=C\CCCCCCCCCc1cccc(O)c1C(=O)O,0
CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O,0
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,0
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,0
CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O,0
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O,0
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,0
CCCCCCCC/C=C\CCCCCCCC(=O)O,0
CCCCCC/C=C\CCCCCCCC(=O)O,0
CCCC/C=C\CCCCCCCC(=O)O,0
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N,1
C[C@H]1C[C@@H](C(=O)NC(C=O)CCCNC(=N)N)N(C(=O)[C@@H](CCc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(O)cc2)C1,1
CC[C@H](C)[C@H](NC(=O)C(O)CCc1ccc(O)cc1)C(=O)N[C@H](CO)CCCNC(=N)N,0
CC[C@H](C)[C@H](NC(=O)C(O)CCc1ccc(O)cc1)C(=O)N[C@H](C=O)CCCNC(=N)N,1
O=C1C=CC(=O)N1c1cccc([N+](=O)[O-])c1,0
Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C,0
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1c[nH]c2ccccc12,0
Cc1cccc(C2Nc3cccc4cccc(c34)N2)c1,0
O=[N+]([O-])c1ccc(C2Nc3c(cccc3C(F)(F)F)C3C=CCC32)cc1,0
O=[N+]([O-])c1cccc(C2Nc3ccc(Cl)cc3C3C=CCC32)c1,0
O=c1oc(-c2cccc(F)c2)nc2ccc(Cc3ccc4nc(-c5cccc(F)c5)oc(=O)c4c3)cc12,0
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccc(Br)cc2)s1,0
Cc1csc(-c2cc3ccc(OCc4c(F)c(F)c(F)c(F)c4F)cc3oc2=O)n1,0
CC1(C)CC(=O)c2c(oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc23)C1,0
COc1cccc(OCCOc2cccc(/C=c3\sc4nc5ccccc5n4c3=O)c2)c1,0
O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,0
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0
O=C1c2c(O)cccc2Cc2cccc(O)c21,0
CN[C@H](CC(=O)O)C(=O)O,0
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,1
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,1
CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)NC(CCSC)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C(C)C,1
CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C(C)C,0
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C(C)C,0
CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)NC(CC[S+](C)[O-])[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C(C)C,0
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1,1
CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C(C)C,1
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C,1
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C(C)C,1
CCC(O)[C@H](NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C)[C@@H](C)CC,1
c1ccc(-c2ccc(COc3ccc4c(c3)CCC(CCN3CCCCC3)C4)cc2)cc1,1
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)O)cc1,0
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,1
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C(C)C,0
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NCc1ccc(C(=O)O)cc1,0
COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(O)c2ccccc2-c2ccccc2)C(C)C)cc(C(=O)OC)c1,1
CCC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C(C)C,1
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccc(C(=O)O)cc1,0
CC(C)[C@H](F)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,0
CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCC(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCC(F)F)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,0
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,1
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)CC(F)(F)F)C(=O)NCc1ccncc1,1
CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCCF)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCF)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC(C)C[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1)C(C)C,1
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC[C@H](C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC(C)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC(C)[C@H](O)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,0
CC(C)[C@H](O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C)C(C)C,0
CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CSCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,1
CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1)C(C)C,1
Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[N@@H+](C1)Cc1ccccc1,0
S(=O)(=O)(N[C@@H]1C[C@H](C[C@@H](C1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)CC1CCCCC1)C(=O)N[C@H](C)C1CCCCC1)C,0
O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1,0
S1(=O)(=O)C[C@@H](Cc2cc(C[C@@H]3N(CCC)C(OC3)=O)c(O)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)C)C1,0
S1C[C@H](NC(OC(C)(C)C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CSC\C=C\C1)[C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCCCC)C,0
O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0
O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCCCC1)Cc1ccccc1,0
O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C,0
O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1,0
O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C,0
FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)c2nccc(c2c1)CC)Cc1ccccc1,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@]1([NH+]=C(N)CN(C)C1=O)C,0
O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1,0
Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@H]1F)N)C,0
Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C,0
Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C,0
s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C,0
O=C1N(C)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N,0
Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C,0
Brc1cc(ccc1O)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C2CC2)[C@H]1O,0
S(Oc1cc(cc(OCC(=O)NCCCCC[NH3+])c1)C(=O)N[C@H](C)c1ccc(F)cc1)(=O)(=O)Cc1ccccc1,0
S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1,0
Fc1cc(N2C3(CC[NH+](CC3)Cc3ccc(NC(=O)C)cc3)C(=NC2=O)NC2CCCCC2)ccc1,0
O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1,0
Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N,0
O=C(N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)Cc1ccccc1)[C@H]1C[C@H](CCC1)C(NC(=O)C)(C)C,0
O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1,0
Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1,0
Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C,0
Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NCC1CCCCC1)CC)N,0
Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NC1C2CC3CC1CC(C2)C3)CC)N,0
[nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N,0
Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N,0
O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O,0
O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N,0
S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C,0
O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1,0
Clc1cc2nc(n(c2cc1)CCCC(=O)N(C)C1CCCCC1)N,0
O=C([O-])[C@@H](\[NH+]=C\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1,0
[NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1,0
O(C)c1cc(cnc1)-c1cc(ccc1)CNc1cccnc1N,0
O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(N[C@@]1(CC(C)C)C)=N,0
O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O,0
O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1,0
n1cccc(NCc2cc(ccc2)-c2cccnc2)c1N,0
O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1,0
Clc1cc(ccc1OCCCC)CSC(=[NH2+])N,0
o1cccc1C[N@H+](Cc1cc(ccc1)CCc1cccnc1N)C,0
n1cccc(NCc2ccccc2)c1N,0
O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N,0
n1c2c(nc(N)c1N1CCCC1)cccc2,0
Clc1cc(ccc1)CCc1cccnc1N,0
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cncnc1,0
Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1,0
s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C[C@@H](CC)C,0
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(=O)CC1)c1cc(ccc1)C(C)(C)C,0
O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,0
O1CCc2cc(ccc12)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,0
Fc1ccc(cc1OCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cc(cc2)C#N)C(O)C[NH2+]Cc1cc(OC)ccc1,0
S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC(F)(F)F)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(Oc3c(cccc3)C(=N2)N)C)c(F)cc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)C,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1,0
S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C,0
Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(CC)(C)C,0
S1(=O)(=O)CC(Cc2cc(OC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
S1(=O)(=O)CC(Cc2cc(CCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C,0
FC(F)(F)c1nccc(c1)C1(N=C(N)c2c1cccc2)c1cc(ccc1)-c1cncnc1,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1,0
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(OCC2)N)C)c(F)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)CC(C)(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(OC)CC1)c1cc(ccc1)C(C)(C)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC,0
Brc1cc(ccc1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O,0
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C(C)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,0
Fc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,0
S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C,0
O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N,0
OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C,0
S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
S1(=O)(=O)CC(Cc2cc(-c3ccoc3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,0
O1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C,0
Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(c1)C(=O)C)C(C)(C)C,0
Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(O)c1)C(C)(C)C,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1,0
O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,0
FCC([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C,0
S(=O)(=O)(N(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C,0
s1c(C)c(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCC\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,0
Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2CC(N=C12)(C)C)N)c1ccc(OC(F)(F)F)cc1,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(cc1)C#N)C,0
S1(=O)(=O)CC(Cc2cc(CCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)(C)C,0
FC(F)(F)CCOc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,0
FC(F)Oc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,0
S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
FC(F)(F)Oc1ccc(cc1)[C@@]1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC1CC1,0
S(=O)(=O)(C)C1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC=O)CC1)c1cc(ccc1)C(C)(C)C,0
O=C1N(C)C(=N[C@]1(C1CCCCC1)c1cc(NC(=O)COC)ccc1)N,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)CC(C)(C)C,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(F)(F)F)ccc2)C1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C,0
Clc1ccccc1-c1n(Cc2nc(N)c(NCCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1,0
S1(=O)(=O)CC(Cc2cc3c([nH]nc3CCC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
Ic1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(OC)ccc2cc1,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C,0
s1cc(cc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,0
S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1,0
S1(Oc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)(=O)=O,0
O1c2cc(ccc2OC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#N)c1cc(ncc1)C(F)(F)F,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(CO)(C)C,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#C,0
Clc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(CC)C3=O)(C)C)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCOC1)c1cc(-n2nccc2)ccc1,0
O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1,0
O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1,0
O(C)c1ccc(cc1CC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2sccn2)cc1,0
S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ncccc1)C,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(C)C,0
FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncccc2)ccc1F)N,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C(=O)N(C1)C)C,0
O=C1N(C)C(=NC1(c1cc(nc(c1)C)C(C)C)c1cc(ccc1)-c1cncnc1)N,0
S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C,0
Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O,0
S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C,0
Fc1cc(cc(c1)-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)N)c1cc(ccc1)C(C)(C)C,0
O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CCCCC1,0
O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2C3CC(CC3)C2=O)ccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC(C)(C)C,0
S(C)c1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cn(nc1)CC(C)(C)C,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C,0
O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N,0
Fc1ncccc1-c1cc(ccc1)[C@@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1,0
S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C,0
s1cccc1-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
S1(=O)(=O)CC(Cc2cc(CC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0
s1ccc(C2(N=C(N)N(C)C2=O)c2cc(ccc2)-c2cncnc2)c1C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCN(CC1)C(=O)N)c1cc(ccc1)C(C)(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)/C(=C/C)/C,0
O=C1N(CC2CCC(CC2)C(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(CF)C,0
O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(O)C1)c1cc(ccc1)C(C)(C)C,0
S(=O)(=O)(NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C)C,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(OC)ncc1,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nnccc2)cc1,0
O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2NC(=O)N(c2c1)CC)Cc1ccccc1,0
O1c2c(cc(OCC(C)C)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(OC)cc2)cc1,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1,0
Ic1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,0
Fc1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(Nc2cccnc2)CC1)c1cc(ccc1)C(C)(C)C,0
O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\C=C\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,0
n1ccc(cc1)C1(N=C(N)c2c1cccc2)c1cc(ccc1)-c1cncnc1,0
S1CC(=NC1(c1cc(ccc1)-c1cc(OC)ccc1)c1ccncc1)N,0
s1nc(cc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,0
S1(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)c2c1cccc2)C,0
S1(=O)(=O)CC(Cc2cc(F)c3NCC4(CCC4)c3c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
Clc1cc2CC(N=C(NC(Cc3cscc3CCC3CC3)C(=O)[O-])c2cc1)(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C,0
O=C(NCC=C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0
IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2,0
Clc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(CC(F)(F)F)C3=O)(C)C)cc1,0
o1cc(cc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,0
S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N,0
s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nccc(c1)C(C)(C)C,0
O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(COC)c1cc(ccc1)C(C)(C)C)COC,0
S1(=O)(=O)CC(Cc2cc(OCCC)ccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1,0
O=C1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(c[n+]([O-])c1)CC(C)(C)C,0
Fc1ccc(OC)cc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2=O)ccc1,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(ON=3)=O)c2cc1)(C)C,0
Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O,0
Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1,0
FC(F)(F)Oc1ccc(cc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)-c1cncnc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1=O,0
Fc1ncccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCN(CC1)C(=O)C,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ncccc2)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)C,0
Clc1cc2CC(N=C(NC(Cc3cscc3-c3occn3)C(=O)[O-])c2cc1)(C)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C,0
Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccccc2)cc1,0
O=C1N(C)C(=NC1(C1CCCCC1)c1cc(NC(=O)c2n(ccc2)C)ccc1)N,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(OCc1ccccc1)=O)C(O)C[NH2+]Cc1cc(OC)ccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nn(cc1)CC(C)(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2O,0
Fc1c(cccc1OC)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
Fc1ncc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
S1(Oc2c(N1c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)cccc2)(=O)=O,0
S(=O)(=O)(N(c1cc(ccc1C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,0
Clc1cc2c(OC3(CC2[NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CCC3)nc1,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Nc2cncnc2)cc1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1,0
O=C1N(C)C(=NC1(C1CCCCC1)c1ccccc1)N,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCNC2=O)ccc1,0
S1CCC(=NC1(C)c1cc(ccc1)-c1cncnc1)N,0
Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1,0
Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn(nc3)C)C(=O)[O-])c2cc1)(C)C,0
s1cc(nc1N)C(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)-c1occc1,0
Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(OCCCC)=O)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1,0
Clc1cccc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c1F,0
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccccc1,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OCC)c(O)cc2)C)CN1C)c1cc(F)ccc1,0
Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1,0
O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C,0
Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C,0
n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)C)c1cc(ccc1)C(C)(C)C,0
O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C,0
O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1,0
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0
FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C,0
Fc1c2c(ccc1)C(N=C2N)(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1,0
Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(OC(C)C)ccc2)C1O,0
n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1,0
S1(=O)(=O)CC(Cc2cc3c([nH]nc3)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
FC1(F)c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1,0
O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C,0
s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1,0
S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@@]1(C[C@H]1C)c1cc(ccc1)C(C(F)F)(C)C,0
Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1,0
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccc(cc1)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)C(C)(C)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)CCCOC)C,0
Clc1cc(-c2cc(ccc2)C2(N=C(OC2)N)c2ccc(OC)cc2)c(F)cc1,0
Fc1ncccc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1cn(nc1)CC,0
S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C,0
Clc1cc(ccc1)-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC)cc1,0
O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N,0
O(C)c1ccc(cc1)C1(N=C(C(C)C)C(=N1)N)c1cc(ccc1)-c1cncnc1,0
Clc1cnccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1,0
O=C(NCC)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0
O(C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0
O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ncnc(c1)C(C)(C)C,0
Clc1cc2CC(N=C(NC(Cc3cscc3C3CC3)C(=O)[O-])c2cc1)(C)C,0
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1,0
Clc1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1,0
O=C1N(C)C(=NC1(c1ccccc1)c1ccncc1)N,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C=CN=3)c2cc1)(C)C,0
S1(=O)(=O)CC(Cc2cc3c([nH]cc3)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0
FC(F)(F)Oc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
Brc1cc(ccc1OC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O,0
Clc1cc2CC(N=C(NC(Cc3ccsc3)C(=O)[O-])c2cc1)(C)C,0
O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)\C=C\c1ccccc1)N,0
O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CCC1CCCCC1)CC(C)C)=N,0
O=C(NCCC)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0
O=C(NCCCC)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0
s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F,0
s1cc(nc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1,0
O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C,0
O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N,0
O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0
Brc1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC)cc1,0
O=C(NC1CCC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0
O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
S(=O)(=O)(N(c1ccccc1)c1nc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C,0
FC(F)(F)c1ccc(cc1)\C=C\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccncc1,0
S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C,0
O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ccncc1)c1cc(F)ccc1,0
Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)C2N1CCCC2)C,0
Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1,0
O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)CCc1ccccc1)N,0
s1c(ccc1C(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
Clc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0
s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C#C,0
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC[NH2+]CC1)c1cc(ccc1)C(C)(C)C,0
Clc1ccccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C,0
O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)C)=N,0
FC(F)(F)Oc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0
[NH+]=1[C@@](C=2N(CCCN=2)C=1N)(c1cc(ccc1)Cc1ccccc1)c1ccccc1,0
O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C,0
S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1,0
O(C)c1ccc([N+](=O)[O-])cc1CC(c1ccc(OC)cc1)c1nc([nH]c1)N,0
S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C,0
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc3c([nH]cc3)cc2)C)CN1C)c1cc(F)ccc1,0
s1cccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C#N,0
Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
O(C)c1ccccc1C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1,0
O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N,0
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccccc1,0
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccccc1C,0
O(C)c1ccc(cc1)Cc1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C,0
O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0
s1cc(cc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0
O=C1N(C)C(=NC1(C1CCCCC1)c1cc(NC(=O)CCOC)ccc1)N,0
S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1,0
O(C)c1ccc(cc1)C1(N=C(N)CC1)c1cc(ccc1)-c1cncnc1,0
S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C,0
Fc1ccc(cc1)Cc1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1,0
Fc1ccncc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC)cc1,0
Clc1cc(cc(Cl)c1)CNC(=[NH2+])NC(=O)Cn1c2c(cccc2)cc1,0
S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC)ccc1)C,0
Brc1sccc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-],0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C,0
FC(F)(F)C([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1cc(OC)ccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C[NH2+]Cc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC1CC1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ccccc1,0
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C,0
S(=O)(=O)(N(C)c1cc2cc(c1)CCCC(OCCOC)c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)C,0
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1,0
S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1,0
O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\C=C\C1)C)C(O)C[NH2+]Cc1ccccc1,0
O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1,0
O(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
O1C[C@@]2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cncnc1,0
S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC2CCCC2)ccc1)C,0
O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cccnc1)N,0
O(C)c1nc(cnc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1,0
n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C,0
Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1COCC2)N,0
O(CCC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
O(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C)C,0
S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C)CC,0
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1,0
Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)[C@@H]2N1CCCC2)C,0
S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C,0
S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C,0
S(=O)(=O)(N(C)c1cc(cc(-n2nnc(c2)C([NH3+])(Cc2ccccc2)C)c1)C(=O)NC(C)c1ccc(F)cc1)C,0
O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N,0
S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0
Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1)c1ccccc1,0
O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC1c1ccccc1,0
O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)CN1C(=O)C)C,0
O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N,0
O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N,0
S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C,0
S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C(=O)NOCc2ccccc2)=C1C)c1ccccc1)C,0
FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CC)C(=O)NC(C)c1ccc(F)cc1)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C,0
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)CCCC([NH3+])(Cc1ccccc1)CO)C,0
O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)C=1[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=1C)C)Cc1ccccc1,0
O(C)c1ccc(cc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)COC)N,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CCO)N,0
s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1)N,0
O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1,0
Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N,0
Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1,0
Brc1ccc(cc1)COC(=O)C1[NH2+]CC2(C1)c1c(NC2=O)cccc1,0
O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1,0
s1cccc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@@]1(N=C(N)C(=O)N(C1)C)C,0
Clc1ccc(nc1)C(=O)Nc1cc([C@@]2(N=C(N)C(=O)N(C2)C)C)c(F)cc1,0
[NH+]=1[C@@](C=2N(CCCN=2)C=1N)(c1cc(ccc1)C(C)(C)C)c1ccccc1,0
O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(=O)N[C@H](C)c3ccccc3)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1,0
O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C,0
s1cc(nc1N)C(Cc1ccccc1)c1ccc(OC)cc1,0
O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1,0
O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](CCC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C,0
O(CC1CC1)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1,0
O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1,0
O(C(=O)C=1[C@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C)C)C=1C)C)Cc1ccccc1,0
Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N,0
O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CCc1ccccc1)CC(C)C)=N,0
s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C,0
Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N,0
Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCCCC1c1ccccc1,0
o1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)C(=O)N)N,0
Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CCCCC1)N,0
O(C(=O)C1[NH2+]CC2(C1)c1c(NC2=O)cccc1)C1CCN(CC1)C(=O)C,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCCC(C)(C)C)CC)N,0
S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC)ccc1)C,0
S(=O)(=O)(N(C)c1cc(cc(NCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C,0
S(=O)(=O)(CCC([NH3+])(Cc1ccccc1)CO)c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1,0
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C,0
S(=O)(=O)(NCC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1)c1cc(OC)ccc1,0
OC(C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1)C[NH2+]C1CC1,0
Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH3+])C1O,0
n1cc(ccc1)-c1cc(ccc1)C1(N=C(C(C)C)C(=N1)N)C,0
O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C,0
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C,0
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ocnn3)c2cc1)(C)C,0
Clc1cc2nc(n(c2cc1)CCCC(=O)NC(C)C)N,0
O=C1N(C)C(=NC(=C1)CCc1ccc(cc1)-c1ccccc1)N,0
s1cc(nc1N)C1(CCCC1)c1ccccc1,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N,0
Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1cc(F)ccc1)N,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccc(F)cc1)CC)N,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCCC1CC[NH2+]C1)CC)N,0
Clc1cc2nc(n(c2cc1)CCCC(=O)NC1CC[NH+](CC1)C)N,0
Clc1cc2CC(N=C(NC(Cc3ccccc3)c3oc(nn3)C)c2cc1)(C)C,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N,0
[nH]1nnnc1C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1,0
Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C)C)CC)N,0
Clc1cc2nc([nH]c2cc1)N,0
Clc1cc2nc(n(c2cc1)CCCC(=O)NCC[NH+]1CCOCC1)N,0
Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N,0
O=C1C(=Cc2ccc(O)cc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O,0
Cc1c(CCN=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n2c([nH]c3ccccc32)c1C#N,0
O=C1OC(=O)C2C3CCCCC3=C3CCCCC3C12,0
CC(=O)NC(ON1C(=O)COc2ccccc21)C(Cl)(Cl)Cl,0
C[N+](C)(C)CCCS(=O)(=O)O,0
O=C1C2=C(c3ccccc31)C(c1ccccc1Cl)N1C(=O)CCSC1=N2,0
NC1c2ccccc2Nc2ccccc21,0
O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc2ccccc12)c1ccccc1,0
Br.CCOC(=O)CC12CCCNC1(C)CCc1ccccc12,0
Cn1cnc2c1=S(=O)(O)N=C(S)N=2,0
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21,0
N#CC(=NNc1[nH]cnc1C(N)=O)C(=O)Nc1ccccc1,0
CC(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O,0
Cc1nc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)C=Cc1ccccc1[N+](=O)[O-],0
CNC(=O)OCc1cnc([N+](=O)[O-])n1C,0
O=C(NCc1cc(CNC(=O)c2cccc(O)c2O)cc(CNC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O,0
CC(=NNC(=O)c1ccccc1O)c1c(O)cc(C)oc1=O,0
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N1Cc3ccccc3CCN21,0
Cn1cc(C(N)=O)ccc1=N,0
C=C(C)C1CC=C(C)CCCC2(CCC3=C(CC(C(=C)C)CC=C(C)CCC3)O2)C(=O)C1,0
COC(=O)C1CC2c3[nH]c4ccccc4c3CCN2C1,0
NCC1(N2CCOCC2)C2CCCC21CO,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC,0
Cc1ccc2c(=O)c3cccc(CC(=O)O)c3[nH]c2c1C.[NaH],0
CC(C)N1C(C)C(c2ccccc2)OP1(=O)CC1=CCCCC1,0
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C(N5CC5)=CC(=O)C6(C)C4CCC23C)C1,0
c1ccc(-c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1,0
CC(C)(C)OC(=O)NC1CC=CCC1NC(=O)OC(C)(C)C,0
O=C(C=Cc1ccccc1)CC1OC(=O)c2ccccc21,0
O=C(O)CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21,0
Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[OH+][Pd-2]23[N+](C)(C)CC[N+]2(C)CC[N+]3(C)C)cc1,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1.CS(=O)(=O)O,0
c1ccc2c(N3CC3)nncc2c1,0
CCOc1cc(C=C2N=C(c3ccccc3)OC2=O)ccc1O,0
CCCCCCCCCOC(=S)NC,0
CC(C)N1C2CCCCC2N(C(C)C)[PH]1=O,0
CC(=O)CC[N+](C)(C)C.[I-],0
CC(=O)[O-].O=[N+]([O-])c1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc([N+](=O)[O-])ccc4[OH+][Mn+3]13[OH+]2,0
O=C1CCC(=O)N2CCCCN12,0
CCOC(=O)N1CCC2(CC1)CC(C(C)=O)(c1ccccc1)C(C)O2,0
CCOP(=O)(N=C(C(C)C)N(C)C)OCC,0
Cl.O=C(CCCN1CCC(Nc2ccccc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1,0
CC(=O)n1c2ccccc2c2nc3nc(Oc4ccc(C)cc4)c4ccccc4c3cc21,0
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2,0
CN1C2C=CC(=O)C1C(C#N)C2,0
CCCCCCCCCCCCOC(=S)NCCCC,0
Cc1coc2c1C(O)C1(C)C(C)CCC(O)C1(O)C2,0
CN1C(=S)N2CCCCCCCC2C(C#N)=C1N,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)cccc34)cc2)no1,0
OCC(O)C1O[Sb](O)(O)(O)OC1C(O)CO,0
COC(=O)CN(CC(=O)NCCNC(=O)OC(C)(C)C)C1CCCCC1N(CC(=O)OC)CC(=O)OC,0
Cc1cc2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc2c(C(=O)O)c1C,0
CCOC(=O)CC1C(=O)CC2CC(C)CC(=O)C21CCC#N,0
COc1c2ccoc2cc2oc(=O)ccc12,0
CCOC(Cc1ccc(Cl)cc1)=NNC(N)=S,0
CN(C)c1ccc(C=Cc2ccc3ccccc3[n+]2C)cc1,0
COc1cc2ccnc3c2c(c1OC)C(=O)C3=C(SC)SC,0
CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1cccc(C)c1)C(F)(F)F,0
CCOC(=O)C1Nc2c(cccc2[N+](=O)[O-])C2OCCC12,0
CCCCNc1nc(C(F)(F)F)nc2[nH]cnc12,0
CCCCCCCCSc1ncnc2[nH]ncc12,0
O=C(Cn1nc(Br)c(Br)c1Br)c1ccccc1,0
COc1cc2c(cc1OC)CC(=O)Nc1cc(OC)c(OC)cc1CC2,0
CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Cl)c(Cl)c1,0
COc1cc(C(c2cc(OC)c(OC)c(OC)c2)N2C(=O)CCC2C(=O)O)cc(OC)c1OC,0
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4cc(Cl)c(=O)c(Cl)c4)C3SC2)s1,0
O=C(c1ccccc1)C1Nc2ccc(Cl)cc2C2c3ccccc3OC12,0
C=CCC(CCC(CC=C)C(=O)O)C(=O)O,0
Cc1cn(C2CC(C)(CO)N(C)O2)c(=O)[nH]c1=O,0
CC1=CC(O)(c2ccc(-c3ccccc3Cl)cc2)OC1=O,0
OC(CC=NN=CCC(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl,0
N#Cc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,0
OCC1OC(c2cccc3cc(O)c(O)cc23)CC1O,0
COc1ccc(NS(=O)c2ccc(OC)cc2)cc1,0
CN1C2CCC1CC1(C2)SCCS1,0
Cc1nc2sc3c(c2c(=O)o1)CCCC3,0
Cn1c(=O)[nH]c(O)c(N=O)c1=O,0
CN(C)CCNC(c1ccccc1)C(O)c1ccccc1,0
CCNC1CC(C(C)(C)NCC)CC=C1C,0
N=C1SCc2c1sc1ccccc21,0
Clc1ccc2c(Cl)ncnc2c1I,0
N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1,0
CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC,0
O=C(CC1C(=O)Nc2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1,0
Cc1ccc(S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O)cc1,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,0
CC(=O)N1CCCN(C)C1=N[N+](=O)[O-],0
N=c1[nH]nc2ccccn12,0
CSC1(C)CC2C(CC1N1CCCCC1)C2(C)C,0
CC1(c2ccc3ccccc3c2)OC(=O)c2cccc(F)c21,0
COCP1(=S)OC(C)CCN1C(C)C,0
O=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1,0
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(Nc3ccnc4ccccc34)ccc(S(=O)(=O)O)c2c1.[NaH],0
CN(C)c1ccc(C=NCC2CCCN3CCCCC23)cc1,0
COc1ccc2nc(CC(=N)c3ccc(N(C)C)cc3)ccc2c1,0
NC(CSSCC(NC(=O)OCc1ccccc1)C(=O)O)C(=O)O,0
CC1CCC(C(C)C2C(O)CC3C4CCC5CC(O)CCC5(C)C4CCC32C)NC1,0
CCOc1ccc(N=Nc2ccc3oc(=O)c(C(C)=NNC(=O)CC(=O)Nc4ccc(Cl)cc4)cc3c2)cc1,0
CCC1OC2(C)CC(C#N)(C#N)C1(C#N)C(=N)O2,0
O=C1CCC(c2ccc(Cl)cc2)=NN1c1nsc2ccccc12,0
S=C(S)N(Cc1ccccc1)Cc1ccccc1.[NaH],0
CNc1ccccc1S(=O)(=O)c1ccccc1C(F)(F)F,0
Cc1nn(-c2ccccc2)c2nc(N3CCOCC3)nnc12,0
N#CC(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1,0
O=C1NC(N2CCCCC2)=NC1=Cc1ccccc1O,0
CC(=O)NCCC1CN(C(=O)C=CI)c2ccccc21,0
CCOC(=O)C1=C(C)C2C3C(=O)NC(=O)C3C1(C)C1C(=O)NC(=O)C21,0
CC(=O)OCC(OC(C)=O)C(Cl)CCl,0
I.O=C(CCCl)NNC1=NCCCN1,0
O=C(O)CS(=O)(=O)O,0
Cl.Cn1cc(N)cc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12.[NaH],0
[Se]=P(c1ccccc1)(c1ccccc1)c1ccc(C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0
OCCN1c2ccccc2Sc2ccccc21,0
CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC,0
CC#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C,0
CCS(=O)(=O)C1(C#N)CCC1(C#N)S(=O)(=O)CC,0
COC(=O)c1ccccc1C=C1Cc2c(C)cc(C)cc2C1=O,0
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)O)C(C)O,0
CN1CC(C)(C)C(=O)c2ccccc21,0
CCCC(Cl)=NOC(=O)Nc1cccc(F)c1,0
CC1(C)OC2OC(COC(=S)SSC(=S)OCC3OC4OC(C)(C)OC4C4OC(C)(C)OC34)C3OC(C)(C)OC3C2O1,0
O=C1c2cccc3cccc(c23)C(=O)N1O,0
O=c1cnn(C2OC(CO)C(F)C2F)c(=O)[nH]1,0
O=P1(Oc2ccc(Cl)cc2)OCCS1,0
O=C1CC2(c3ccccc3)ON=C(c3ccccc3)N2c2ccccc2N1,0
CCOC(=O)C1CC(O)C(=O)N1C,0
NCCCCN(CCCN)Cc1ccccc1,0
O=[n+]1onc2[c-]1-c1nonc1CC2,0
COC(=O)C1=C(C(=O)OC)SC(=C2c3ccsc3-c3sccc32)S1,0
COC(=O)C1Cc2ccc(OC)c(c2)OCCC(=O)N1,0
NC(CSCCCS(=O)(=O)O)C(=O)O,0
c1cc2c(cc1NC1=NCCO1)CCCC2,0
CCOC(=O)C=Cc1cccc(OC)c1,0
O=c1nc2sc3ccc4ccccc4c3n2nc1-c1ccccc1,0
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1cccc(C)c1C)c(C)[n+]2[O-],0
Cc1cc(N=Nc2ccccc2)ccc1NCS(=O)(=O)O,0
CC=C1CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1=S,0
CSCCC(NC(=O)OC(C)(C)C)C(=O)NCCNc1ccc(NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2c1C(=O)c1ccccc1C2=O,0
CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)oc1C,0
Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1C,0
O=C1c2scnc2-c2nccc3c2c1nc1ccccc13,0
CC12C=CC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F,0
NC(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(N)=O,0
OCCN(CCO)CCCNc1ccnc2cc(Cl)ccc12,0
O=C1c2ccccc2C(=O)N1CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1,0
CC(=O)N1C(C(=O)O)CSC1c1ccc(F)cc1,0
COC(=O)c1ccc(C)cc1CC1Cc2ccc(C)cc2C1=O,0
COc1ccc(C=Cc2ccnc3ccccc23)cc1OC,0
Cc1cccc(C)c1NC(=O)CCCC(=O)C1CCCC1=NNC(=O)C(=O)NN,0
O=C1NC2OC(CO)C(O)C(O)C2O1,0
NCC(NC(=O)OCc1ccccc1)C(=O)O,0
Cc1cc2nc(-c3ccccc3Cl)[nH]c2cc1C,0
CCCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1,0
O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S,0
Cc1ccc(C=NNc2ncccn2)s1,0
COC12CC(=O)C(=C(O)C=Cc3ccccc3)C(=O)C1(O)Cc1ccccc1O2,0
Cc1cn(C2CCC(C=NO)O2)c(=O)[nH]c1=O,0
Cl.NC1C2C3CC4C5CC(C42)C1(c1ccccc1)C53,0
N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(O)C2=O,0
O=C(O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1,0
O=[N+]([O-])C1(CO)COC(CCc2ccccc2)OC1,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCCCN(C)C)c2c1,0
COC(=O)CCSSCCC(=O)OC,0
CCOC1SC(SC)=NN1C(=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)N1N=C(SC)SC1OCC,0
N#CC(C#N)=C(C(C#N)C#N)C(C#N)C#N.[NaH],0
Cn1c(N)c(Br)c(=O)n(C)c1=O,0
CS(=O)(=O)NNS(=O)(=O)c1ccc2ccccc2c1,0
NNC(=O)C(NC(=O)c1ccccc1)=C(N)c1ccc(Cl)cc1,0
Cc1cc(=O)n(-c2ccccc2)c(=O)o1,0
CC(=O)CCC#Cc1ccccc1C(=O)C(C)=[N+]=[N-],0
N#CC12C3C4C5C3C1C(C42)n1c(=O)n(-c2ccccc2)c(=O)n15,0
CCCCCCCCCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,0
Cc1cccc(C)c1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O,0
CC1(C)CCCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1,0
c1cc2c(c(NC3=NCCO3)c1)CCC2,0
O=C1CC(c2ccccc2)n2c(nc3ccccc32)N1,0
Cn1c(-c2ccccc2)cc(-c2ccsc2)c1-c1ccsc1,0
O=C1CC(Sc2ccccc2)C2(OCCO2)C2ON3CCCCC3C12,0
O=C1CC2CCC(C1)N2CC1COc2ccccc2O1,0
CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O,0
CC1=CC(=O)C(=CN2C(=O)C(=Cc3cccc(O)c3)SC2=S)C(=O)O1,0
COc1cc(OC)c(OC)cc1C=Cc1ccnc2ccccc12,0
O=c1c(SCc2ccc(Cl)c(Cl)c2)c(SCc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1,0
CC(CCC1SC1(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,0
N#CC(=Cc1ccccc1)c1ccc(F)cc1,0
CC(C)=[N+]1[OH+][W+2]12345(C#[O+])(C#[O+])C1=C2[C-]3C4=C15,0
COc1ccc(N=NC(=O)NC(CC(C)C)C(N)=O)cc1,0
N[Co-4](N)(N)(N)(N)[NH+]1N=NC(C(=O)[O-])=N1.[Cl-],0
Nc1c(Cl)c([N+](=O)[O-])cc2c1OCCCCO2,0
COc1cc(O)c(C=NO)c(OC)c1,0
CNC(=S)NC1CCCCC1NC(=S)NC,0
N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1,0
COC(=O)C(NC(=O)c1ccccc1)C(c1c(O)cc(O)cc1O)P(=O)(OC)OC,0
CC(=O)NCCc1c[nH]c2ccc(Cl)cc12,0
CCCCC=C(C1OC(=O)N2CCCC2C1(C)C)[Si](C)(C)C,0
COC(=O)c1cc(C)ccc1C=C1Cc2cc(C)c(C)cc2C1=O,0
O=C(C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1)c1ccccc1,0
c1ccc(COc2ccc3[nH]c4c(ncc5[nH]c6ccccc6c54)c3c2)cc1,0
Cc1nc(O)c2sc3nc4ccccc4n3c2n1,0
CCOC(=O)CC1(N)CC2c3ccccc3OC(=O)C2C(=O)N1,0
N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
CCn1c(SCC(=O)NNC(=S)Nc2ccc(C)cc2)nc2ccccc2c1=O,0
CCN(CC)CCOCCn1c2c(c3ccccc31)CCCC2,0
CCC(=NNC(=N)N)C(C)=NNC(=N)N.O=S(=O)(O)O,0
C[Si](C)(C)C1=C([Si](C)(C)C)C(Cl)(Cl)C1=O,0
CCCCNC(=O)C1C(=O)N(CCCC)C(=O)C1=NN,0
COC(=O)C1=CC(=O)N2CCN=C2S1,0
O=C1[OH+][Co-4]234([O+]=C(c5cccs5)C=[N+]2c2ccccc21)[O+]=C(c1cccs1)C=[N+]3c1ccccc1C(=O)[OH+]4,0
Cc1cccc(C(C)(C)C)c1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O,0
COC(=O)C1C(C(C)C)OC(C(C)C)OC1C(F)(F)F,0
S=c1sc2ccccc2n1CNc1ccccc1Cl,0
COC(=O)c1ccc2n1C1CC3CC(CC2C3)C1,0
O=C1OC2C(I)C3C4CCC3C2C14,0
COc1ccc2[nH]c(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1,0
CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21,0
c1ccc2c(c1)CCN(NCCN1CCCC1)C2,0
O=C(NNC(=O)c1ccco1)c1ccco1,0
COc1ccc(C(=O)NNC(=O)c2nsc3ccccc23)cc1,0
O=C(O)c1cc2ccc(Cl)cc2c(O)c1C1=CCCCC1,0
N#CCCC(CC#N)N1CCN(C(CC#N)CCC#N)CC1,0
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1,0
COP(=O)(OC)C(N)Cc1c[nH]c2ccccc12,0
N=C(N)NC(P(=O)(O)O)P(=O)(O)O.[NaH],0
CC1C2(C)OC(=N)C(C#N)(C(c3ccccc3)O2)C1(C#N)C#N,0
CCn1c(=O)ccc2ccc(N(CCO)CCO)nc21,0
Brc1ccc(N=NN2CCCCC2)cc1,0
CC(C(N)=O)N(C)C(=O)c1cc2ccccc2[n+](Cc2ccccc2)c1.[Br-],0
N=c1[nH][nH]c(=N)n1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1,0
COC(=O)CSSCc1ccc([N+](=O)[O-])cc1,0
Cc1ccc2oc(=O)ccc2c1,0
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1cc(Cl)c(Cl)cc12,0
Oc1nc2ccccc2c(O)c1O,0
CC(C)(C)OC(=O)NCCC1SC2C=CC1C2,0
COc1cc(C=NN=CC=Cc2ccccc2)cc(OC)c1OC,0
N#Cc1ccccc1NC(=O)C(=NNC(=O)c1ccncc1)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],0
CC(C)C1NC(=O)CC(c2ccccc2)N(N=O)C1c1ccccc1,0
CCCC[Sn](CCCC)(OC(=O)c1ccc(C)c(N)c1)OC(=O)c1ccc(C)c(N)c1,0
O=C1C2C(C(=O)N1c1ccc(Br)cc1)C1([N+](=O)[O-])C=C3c4ccccc4N(c4ccccc4)C32C2C(=O)N(c3ccc(Br)cc3)C(=O)C21,0
CCNC(=O)OCc1cnc(C)c(O)c1COC(=O)NCC,0
COC(=O)C12C=CC(C1)n1c(=O)n(-c3ccccc3)c(=O)n12,0
O=C1CN(CC2=CC3(CC2)CCC2=C3CCCC2=O)C(=O)N1,0
CCOC(=O)C1=C(SC)SC(C(=O)OCC)C2C=C(C)C=CN12,0
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,0
Cc1ccc(Nc2nc(O)nc(O)c2N=O)cc1,0
Cc1c(C=NN(C)C)oc2c1cc(O)c1ncccc12,0
COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,0
C12=C3[C-]4C5=C1[Fe+3]23541678C2=C1[C-]6C7=C28.O=C(O)C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl,0
CC(C)c1ccc(C(C(=O)O)=C(O)C(=O)O)cc1,0
COC(=O)c1ccccc1NC(=S)NN(C)C,0
O=C(c1ccccc1)c1ccc(OCCOc2ccc(Nc3ccccc3)cc2)cc1,0
O=C(O)c1nn[nH]c1Cl,0
CC(=O)OCC1OC(n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,0
COc1cc(CNC(=S)CCCCCCCCCCC(C)C)ccc1O,0
NN1C(=O)CSC1=S,0
CCCCOC(=O)c1c2nc3c(C(=O)OCCCC)ccc(C)c3oc-2c(C)c(=O)c1NC(C)=O,0
O=[N+]([O-])c1cc(Cl)c(O)c(N=Nc2cc(S(=O)(=O)O)c3cccc4[nH]nnc2c43)c1,0
Cn1ccnc1CCc1ccc(F)cc1F,0
COc1cc2c(c(C3(O)C(=O)N(C)c4ccccc43)c1OC)OCO2,0
Cc1cc(N=C2C=C(O)C(=O)c3ccccc32)no1,0
[Cl-].[Pt].[S-]c1ncccn1,0
c1ccc2c(c1)[nH]c1c2nc2ncccn21,0
CCC(c1ccccc1)C1NC(=S)NC1=O,0
COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(OC)c1O,0
COc1cc2c3c(c1)CCCN3CCC2,0
O=C1CCC2(c3ccc(Cl)cc3)Nc3ccc(Cl)cc3N12,0
COC(=O)c1ccc2cc(O)c(O)cc2c1,0
c1ccc2c(c1)nc(NC1CCCC1)c1nc(C3CCCC3)[nH]c12,0
COC(=O)Cc1cc(O)nc2c1C(=O)CCC2,0
NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,0
CC1(C)OC2OC(C(O)COC(=O)c3ccccc3)C(F)C2O1,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)CCC3,0
CC1COC(c2cn[nH]c2C(N)=O)C1O,0
CC(C)(C)OC(=O)N1CC(O)OC(c2ccccc2)C1c1ccccc1,0
N#CCc1ccc(C(C#N)C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=NNC(=O)NN)cc1,0
CCOC(=O)C=CSCCC(=O)OC,0
Cc1ccc(OCC2OC(n3cnc4c(Cl)nc(N)nc43)CC2Oc2ccc(C)cc2)cc1,0
Cc1nc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c2s1,0
O=C1CCC2(CC1CCS(=O)c1ccccc1)OCCO2,0
COc1ccc(C(C#N)=Cc2ccc(N(C)CCC#N)cc2)cc1,0
CC1CC(C)CC(C)C(O)C(C#N)=CC=CCC(C2CCCC2C(=O)O)OC(=O)CC(O)C(C)C1,0
CCOC(=O)Cc1cnc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)s1,0
COc1ccc(N2C(=O)C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=S)cc1,0
O=S(=O)(N=S(Nc1ccccc1)C(F)(F)Cl)c1ccccc1,0
CN(C)C1C(O)=C(C(=O)NC[N+]23CCO[B-]2(c2ccc(Cl)cc2)OCC3)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,0
N#Cc1[nH]c(=S)[nH]c1N,0
COC(=O)CC12CC(CC(=O)O1)N(C(=O)Nc1ccccc1)O2,0
CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Co-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],0
CCCCc1ccc(N2C(=O)c3cc(C)cnc3S2(=O)=O)cc1,0
COc1cc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc(OC)c1OC,0
Cc1nc(-c2nc(C)c(C(=O)C=Cc3ccc(N(C)C)cc3)s2)sc1C(=O)C=Cc1ccc(N(C)C)cc1,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccc(Cl)cc5nc34)cc2)n1,0
COc1ccc(C=C(C(C)=O)C(=O)Nc2ccccc2)cc1,0
FC(F)(F)c1nc2cc(Cl)c(SSc3cc4[nH]c(C(F)(F)F)nc4cc3Cl)cc2[nH]1,0
Cc1ccc2nc(NC(=S)SSC(=S)Nc3nc4ccc(C)cc4s3)sc2c1,0
Clc1cc(I)c2c3c1ccc[n+]3[Ga-3]13([OH+]2)([OH+]c2c(I)cc(Cl)c4ccc[n+]1c24)[OH+]c1c(I)cc(Cl)c2ccc[n+]3c12,0
Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c2c1Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)c3nc(-c4ccccc4)c(=O)oc3c1C)N2,0
COc1cc(C=C2CCC(C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)OC23)cc(OC)c1OC,0
CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O,0
CC(C)Oc1c(-c2c(OC(C)C)c(=O)c2=O)c(=O)c1=O,0
O=C1CCCCC1=C1C(=O)Nc2cc(F)ccc21,0
S=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)o1,0
O=C(CC(NC(=O)OCc1ccccc1)C(=O)NC1Cc2ccccc2OC1=O)OCc1ccccc1,0
CON(C)c1nc(Cl)nc(N(C)OC)n1,0
O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,0
CCOC(=O)c1ccc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc1,0
c1scc2c1COCCOCCOCCOCCOC2,0
O=C1CC(c2ccc(Cl)cc2)NC(=O)N1CCN1CCCC1,0
Nc1nc(S)nc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1,0
N#Cc1c(-c2ccc(Cl)cc2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2,0
Cl.O=c1c2cc(Br)ccc2ncn1COCc1ccccc1,0
CC12SC(C)(c3c[se]cc31)C1C(=O)N(c3ccccc3)C(=O)C12,0
CC1OC(n2cnc3c(O)ncnc32)C(O)C(O)C1O,0
COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-],0
CCCN1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccc(O)cc2)CSC1=S,0
Cc1cc2c(c(C=NCc3ccccc3)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C,0
CNc1ccccc1S(=O)(=O)c1ccccc1Br,0
O=C1OC(Cl)(C(Cl)(Cl)Cl)C(=O)OC1(Cl)C(Cl)(Cl)Cl,0
N#Cc1cc(Sc2ccc(N)c(C#N)c2)ccc1N,0
CCC1SC(C)C(=O)NC1=O,0
CN(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1,0
Cc1ccc2ccccc2c1CC1S(=O)(=O)OCCOS1(=O)=O,0
CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4c5c([nH]c4cc3OC)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC,0
COc1ccccc1OCc1nnc(SCC(=O)O)n1-c1ccccc1,0
CC=C(C)C=CCC(C)CCC=C(C)C,0
CN(CCN(C)CC(=O)O)CC(=O)O,0
CC(C)CCC[Pb](CCCC(C)C)(CCCC(C)C)OC(=O)C(Cl)(Cl)Cl,0
Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1cccs1,0
CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCCCCCCCCCCCCCCCCC,0
COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2,0
COc1cc2c(cc1OC)C(=O)Cc1ccc(OC)c(OC)c1CN(C)CC2,0
O=C(NN=Cc1ccccn1)c1ccncc1,0
Cc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)cc1C,0
Nc1ccc2nc3ccc(O)cc3nc2c1.[Na]S[Na],0
COc1ccccc1-n1c(N)c2c(C)c(-c3ccccc3)[nH]c2nc1=S,0
O=S(Cc1ccccc1)c1ccccc1Cn1cccc1,0
O=S(Nc1ccccc1)c1ccc(-c2ccccc2)cc1,0
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,0
Cc1cn(C2CC([Se]c3ccccc3)C(CO)O2)c(=O)[nH]c1=O,0
C=C(C)CNC(=S)N(N)c1ccc(OC)cc1,0
CCOC(=O)Cc1csc(Nc2ccc(OCC)cc2)n1,0
C#CCOC(=O)C(=[N+]=[N-])C(=O)CC(C)C,0
C[N+](C)(C)CC(=O)NN=C(CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1.[Cl-],0
CC(=O)OC1CCC2C3CCC4=C(O)c5nocc5CC4(C)C3CCC12C,0
C=CCN1C(=O)CSC1=S,0
Cl.N=C(N)c1ccc2oc3ccc(C(=N)N)cc3c(=O)c2c1,0
N=C1NC(=O)C(Cc2c[nH]c3ccccc23)N1C(=O)OCc1ccccc1,0
CC1(C)C(=O)C(C)(C)C1O,0
CCN=C(NC(=O)c1ccc(F)cc1)SCSC(=NC(=O)c1ccc(F)cc1)NCC,0
COc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1,0
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1,0
NS(=O)(=O)c1ccc(C(=O)O)cc1,0
CCOC(=O)CN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O,0
CCSc1c2ccccc2c(-c2nc(F)nc(F)n2)n1CCc1ccccc1,0
CC(=O)OC1C2C(CC(C)C3C=CC(=O)C31C)OC(=O)C2C,0
CC(C)(C)NC(NC(C)(C)C)=C(C=C(Cl)[N+](=O)[O-])[N+](=O)[O-],0
O=c1cc(CO)[nH]cc1O,0
Cc1[nH]cc2c1C(c1ccccc1F)=NCC(=O)N2,0
CCc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O,0
Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,0
CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2ccc(C)cc2)cc1,0
Cc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1CCCl,0
Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c(=O)n1NC(=O)CNc1ccc(Cl)cc1,0
Cc1[nH]c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2c1[N+](=O)[O-],0
CCC1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(C)=O,0
Cc1ccc(NC(=N)NC#N)cc1,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1cccc(Cl)c1,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccccc2)cc1,0
O=C1CCC2(c3ccccc3)Nc3cc(Cl)ccc3N12,0
COc1ccc(C(=O)CC(c2ccccc2)C2C(c3ccc(OC)cc3)=Nc3c(nc(SC)n(C)c3=O)NC2c2ccccc2)cc1,0
CCOC(=O)C12c3[nH]c4ccccc4c3CCN1CC1=NOC(=O)C12,0
COc1cc(O)c2c(=O)c3ccccc3n(C)c2c1,0
Cc1cc(C(F)(F)F)nc2nc3ccccc3n12,0
CCOC(=O)C1C(=NN)CN2CCc3c([nH]c4ccccc34)C12C(=O)OCC,0
CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCCCC)C1O,0
C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,0
O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1cc(Cl)ccc1Cl,0
O=S(=O)(O)CCS,0
CC(C)(CCl)NC(=O)c1cccc(C(=O)NC(C)(C)CCl)n1,0
Cc1cccc(N2C(c3ccccc3)c3ccc(C)cc3NS2=O)c1,0
C=C(COC(=O)CC1(CC(=O)O)CCCC1)C1CCC2(COC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc([N+](=O)[O-])cc1,0
CNC(=O)c1nc[nH]c1N=NN(C)N,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NNC1=O,0
NNc1nncc2[nH]nnc12,0
CC(C)C1N(N2C(=O)CS(=O)(=O)C2C(C)C)C(=O)CS1(=O)=O,0
O=S1(=O)CCCS(=O)(=O)C(c2ccccc2)=C1c1ccccc1,0
CC(=O)Oc1cc(-c2oc3cc(OC(C)=O)c(C4OC(CO)C(O)C(O)C4O)c(OC(C)=O)c3c(=O)c2O)c(OC(C)=O)cc1O,0
CC(NC1=NCCO1)c1ccccc1Cl,0
O=c1nc2n(cc1F)C1OC(CCl)C(O)C1O2,0
CC=CC(=O)C#Cc1cnc(OC)nc1OC,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2ccc(O)cc2)C(=O)[OH+]1.[Cl-],0
COc1cc(C=CC(=NNC(=O)c2ccccc2)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)ccc1O,0
COc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CC2,0
C1=Nc2ccc(cc2)N=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2,0
Fc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1,0
CCOC(=O)C1C(=O)C(C(=O)OC)C2CCCC3CCCC1N32,0
O=c1c2ccccc2n2c(-c3ccccc3O)nnc2n1-c1ccccc1,0
O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCCN2)cc1,0
O=C(Nc1nc(O)c2c(ncn2CCOC(=O)c2ccccc2)n1)c1ccccc1,0
COC1=C(C)C(=O)C2C(C)C(c3ccc(OC)c(OC)c3)C2C1=O,0
NC(=O)NN=C1CCc2ccccc2C1,0
CS(=O)(=O)c1nc(Cl)c(Cl)c(C#N)c1Cl,0
Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1,0
O=C(CCl)Nc1ccc(SSc2ccc(NC(=O)CCl)cc2)cc1,0
C(CCCCc1nnc(N2CCOCC2)o1)CCCc1nnc(N2CCOCC2)o1,0
COc1ccc(C=CC(=O)C(C)C)cc1,0
Cc1cc(S(=O)(=O)NC(=NN)NCCc2ccccc2)c(S)cc1Cl,0
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)c(O)c6)C(C)(C)C5CCC43C)C12,0
CCOC(=O)n1[nH]c(=O)n(-c2ccccc2)c1=O,0
Cc1c(O)c2ccccc2n(C)c1=O,0
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,0
CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)CC2C)CC1,0
O=C(CN1CCOCC1)NC1=NNC(=O)c2cccnc2N1,0
CCOC(=O)C=C1C(CCCOCc2ccccc2)C2CCCC23CC2(CCN13)OCCO2,0
O=C(O)C(Cl)=C(Cl)C(=O)NC1C2CC3CC(C2)CC1C3,0
O=C1C(OC(=O)c2ccccc2)=C(c2ccc(O)cc2)C(=O)C(OC(=O)c2ccccc2)=C1c1ccc(O)cc1,0
COc1ccc(C=CC(C(=O)O)C(=O)O)cc1,0
CC(C)=CCN(N=O)c1ncnc2[nH]cnc12,0
CC(C)(C)NC1C2CCC(C)(C1O)C2(C)C,0
CN1CCN=C1c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1,0
O=[N+]([O-])C(Cl)=CC(=C1Nc2ccccc2O1)[N+](=O)[O-],0
O=C1C2Nc3ccccc3SC2C(=O)N1c1cccc([N+](=O)[O-])c1,0
CCOC(=O)C(=O)C(=CNC(=S)c1ccncc1)C(=O)OCC,0
C1C[S+]2CC[S+]1CC2,0
COC12CC3CCC(C(C)c4ccc5c(c41)CC1C5CC(O)C4CC(O)CCC41C)N2C3,0
COC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl,0
NC(=O)C1=CN(Cc2ccc(F)cc2)c2ccccc2C1S(=O)(=O)O,0
Oc1ccc(-c2nc(=S)[nH][nH]2)cc1,0
Cn1c(=O)c2nsnc2n(C)c1=O,0
CC1(C)COC(c2ccccc2-c2ccccc2)=N1,0
O=C1Cc2ccccc2N1C1c2ccccc2C=Cc2ccccc21,0
CC(=O)CCS(=O)(=O)O,0
O=C(NNC(=O)c1cc(C=Cc2cccc([N+](=O)[O-])c2)nc(S)n1)Nc1ccc(Cl)cc1,0
Clc1ccc(-c2c(C3=NCCN3)nnn2-c2ccccc2)cc1,0
COc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)C=CC4=O,0
CCOc1ccccc1N=Nc1ccc2oc(=O)c(C(C)=O)cc2c1,0
CC(C)c1ccc2c(c1)C=C1OC(=O)C3(C)CCCC2(C)C13,0
COc1cccc(-c2nccc3c(OCc4ccccc4)c(OC)c(OC)cc23)c1,0
O=C(Nc1ccc(Cl)cc1)c1cc2cc(N=Nc3ccccc3Cl)ccc2oc1=O,0
CN(C)c1cccc2c([SH](=O)=O)cccc12.[NaH],0
COc1ccc(N=C(CS(=O)c2ccc(C)cc2)C(F)(F)F)cc1,0
C=C1C(OO)OC2OC3(C)CCC4C(C)CCC1C24O3,0
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(C)=O)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1O,0
CC1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3,0
O=Nc1cc(S(=O)(=O)O)c2cccnc2c1O,0
COC(C(=O)NCCCCNC(=O)C(OC)c1ccccc1)c1ccccc1,0
O=C(OC1CN2CCC1CC2)N(c1ccccc1)c1ccccc1,0
O=C1CNc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1,0
O=C(O)c1cccc(OCCOc2cccc(C(=O)O)c2[N+](=O)[O-])c1[N+](=O)[O-],0
CC1N=C(SCC(=O)c2ccc(F)cc2)N2C(C)N=C(SCC(=O)c3ccc(F)cc3)N12,0
O=C(Nc1ccccc1C(=O)O)C(=Cc1ccccc1)NC(=O)c1ccccc1,0
CC1CC(C#N)=C2NCCN2C1=O,0
C#CCOC(=O)c1ccc(OC(C)=O)cc1,0
COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3cccc(C)c3)c2C)cc1,0
O=C1CSC(Cc2nc3ccccc3[nH]2)=N1,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC.[Cl-],0
COC(=O)NCC1OCc2cc3c(cc2C12C=CCCC2)OCO3,0
C=CCOc1cc2c(ccc1=O)-c1c(cc(OC)c(OC)c1OC)CCC2NC(C)=O,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccc(O)cc1,0
O=S(O)CCCCSSCc1ccccc1CSSCCCCS(=O)O.[NaH],0
CN(CC(=O)Nc1ccccc1C(=O)O)c1ccccc1,0
Cc1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1,0
NC(S(=O)(=O)O)S(=O)(=O)O,0
COC(=O)C(C#N)=CNC(=S)C(N)=S,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=O)C2=O)c1,0
O=C1C2=C3C4=C(C5C1CCC5C1OCCO1)[Fe]234(C#[O+])(C#[O+])C#[O+],0
COc1cccc(C=C(C#N)C#N)c1OC,0
CC1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2)S1,0
CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccccn1,0
C(=Nc1ccc(SSc2ccc(N=C=C(c3ccccc3)c3ccccc3)cc2)cc1)=C(c1ccccc1)c1ccccc1,0
CSc1c(C#N)c(N)n(-c2ccc(C)cc2)c(=O)c1C#N,0
O=C1CSC(=Nc2ccccc2F)N1c1ccccc1F,0
COc1cc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc(OC)c1OC,0
COc1cc(C2c3cc4c(cc3C(=O)C3CCC(=O)N32)OCO4)cc(OC)c1O,0
OC(CNc1ccccn1)c1ccccc1,0
CSC(=NN=C(C)c1ccccn1)N1CCN(c2ccccn2)CC1,0
C(=NNc1ccccc1)c1nc2ccccc2nc1C=NNc1ccccc1,0
CC(=O)OC1CCN2C(=O)C=CC(OCc3ccccc3)C12,0
CCOP(=O)(OCC)C(C#N)=Cc1ccccc1OC,0
CC(C)(C)C(=O)CS(=O)(=O)O,0
CCOC(=O)c1oc2ccc(OC)c3c2c1CCC3,0
O=C1OCC2CCCN2Cc2ccccc21,0
CC1Nc2c(ccc3ncccc23)C(=O)N1Nc1ccccc1,0
CC1(C)OC(CC2(C#N)CC(CCl)OC(C)(C)O2)CC(CC2(C#N)CC(CCl)OC(C)(C)O2)O1,0
CC(=NNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)OC5CCC6(C)CC7C=CC6(OO7)C5(C)C)CCC4(C)C3CCC12C,0
CC(=O)ONc1nn2cc(-c3ccccc3)nc2s1,0
CN(CC(O)C(O)CN(C)C(=S)S)C(=S)S,0
C=CC(=O)NCCSSCCNC(=O)C=C,0
COc1ccc(OC)c(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c1,0
CC(C)C1=C(O)C(=O)C2=C(C1=O)C(OC=O)C(O)C1C(C)(C)CCCC21C,0
CC(=O)NCCC1CNc2ccccc21,0
O=[N+]([O-])C(=C(Br)SCc1ccccc1)C(Cl)=C(Cl)Cl,0
CC1(C)OC2CC3CC(OC3=O)C2O1,0
COc1ccc(C(=O)c2ccccc2O)c(O)c1,0
CON1C(=O)C2(CCCCC2)C(=O)C12C=CC(C)CC2,0
COc1ccc(C=C2CSCC(=Cc3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC,0
Cc1cc(O)c(C(=O)CC2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)c(=O)o1,0
CCOC(=O)C(C(=S)SC)c1nn2c(=O)cc(C)nc2s1,0
CC(C)(CN(Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-],0
O=C1NC(=O)C(=C2CCCCC2)N1,0
Cc1ccc(C(=O)C=Cc2ccco2)cc1,0
CCCCOP(=O)(OCCCC)OP(=O)(OCCCC)OCCCC,0
N#Cc1cscc1C#N,0
Cc1cc(=O)oc2c(C)c3oc(CBr)cc3cc12,0
CCCCCCCCCCNCCSSc1ccccc1,0
COc1ccc(C=c2sc3n(c2=O)NC2(CCCCC2)NN=3)cc1,0
O=C(ON=c1c2ccccc2ccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0
Fc1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1,0
O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-],0
O=C(CN1CCCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2,0
CC[N+]1(CC)CCN[Co-4]123([OH+]C(=O)C(=O)[OH+]2)[OH+]C(=O)C(=O)[OH+]3.[K+],0
CC1=NN2C(=NC(C)(C)C1)NN=C2c1ccccc1Cl,0
CN(C)C(=S)NC(=S)Nc1ccc2ccccc2c1,0
O=C1NCCN1N=Cc1c(Cl)n(-c2ccccc2)c2ccccc12,0
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ncsc1C2=O,0
O=C1c2ccccc2C(=O)N1CCCSCC(CO)SCCCN1C(=O)c2ccccc2C1=O,0
CCOC(=O)c1ccc(-n2c(SCC)nc3sc(C)c(C)c3c2=O)cc1,0
O=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(CO)cc21,0
O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2cccc(Cl)c2)n1,0
C=C1CC2OC3C4C(CC(C)C(OC(C)=O)C24)C(C)COC3(C)C(OC(=O)CCCCCCC)CC1O,0
C1CCC(N=C(NC2CCCCC2)N2CCOCC2)CC1,0
O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])o2)CC1(O)c1ccccc1,0
CCCCCCCCCCCCNC(=O)C(O)C(O)C(O)C(COS(=O)(=O)O)OS(=O)(=O)O,0
Cc1cc(NS(=O)(=O)c2ccc(NC(NC(=O)OC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nc(C)n1,0
O=C(COc1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)CC1(O)c1ccccc1,0
CN(C)c1ccc(C=Cc2cc[n+](C)c3ccccc23)cc1,0
CN(N)P(=O)(c1ccccc1)N(C)N,0
CN(C)N=C(SSC(=NN(C)C)C(F)(F)F)C(F)(F)F,0
C1CSCC2(COC2)CSCCSCC2(COC2)CS1,0
CCOC(=O)c1ccc(N2CCN(c3c(C)nc(N)nc3N)CC2)cc1,0
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CC(SC(C)=O)C4(C)C3CCC21C,0
CCOC(=O)c1cc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)c([N+](=O)[O-])n1C,0
CC(=O)Nc1c(C)cc2c(nc3n2CCC3OC(C)=O)c1[N+](=O)[O-],0
Cn1c(=O)[nH]n(-c2ccc3ccccc3c2)c1=O,0
CC1CC(O)c2ccccc2O1,0
O=c1ccn(C2CC2CO)c(=O)[nH]1,0
CC(=O)NC(=O)C(C(C)=O)c1ccccc1,0
O=C1N(c2ccc(Cl)cc2)C(=O)C2(SC=NN2Cc2ccccc2)N1c1ccc(Cl)cc1,0
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(-c2ccccc2)cc1,0
CC(=O)OCc1ncccc1C(OC(C)=O)OC(C)=O,0
COc1ccc(C=C2N=C(c3ccccc3)N(Nc3nnc(NN4C(=O)C(=Cc5ccc(OC)cc5)N=C4c4ccccc4)c4ccccc34)C2=O)cc1,0
CS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O,0
C=C(C)C1=NC(C)(C)CC1=C(C)C,0
O=C(O)CCCc1cc2c(s1)-c1cccc3cccc-2c13,0
CCC12CCCNC1c1c(n(C)c3ccccc13)C(C(=O)OC)C2.Cl,0
CC(C)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1,0
O=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2n1CCN=2,0
CS(C)=O,0
COC1CC2C3C(=NNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])CCC2(C)C3C1,0
Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,0
CCCCCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,0
COC12CCC(=O)N1C=Cc1c2[nH]c2ccccc12,0
O=C1c2ccccc2-c2cc(N3C(=O)C=CC3=O)ccc21,0
CC(=NNC(=S)N1CCCCCC1)c1cccc[n+]1[O-],0
COC(=O)C1(Cc2ccccc2C)Cc2ccc(C)cc2C1=O,0
COC(=O)C1(C(=O)OC)CC(C)=C(C)SCCCS1,0
CC1S(=O)(=O)OCCOS1(=O)=O,0
CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1,0
Cn1c2ccccc2c(=NNc2cccc(C(=O)O)c2)c2ccccc21,0
CCNCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,0
CC1C(c2ccccc2)[OH+][B-](c2ccccc2)(c2ccccc2)[N+]1(C)C,0
COc1ccccc1NC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(C)=O,0
CC(=O)Oc1cccc2c1C(=O)C(Br)(Br)CCC2,0
Oc1cc2ccccc2cc1OC(F)(F)c1nc2ccccc2o1,0
O=C1NC(=O)C(Cc2ccccc2Cl)N1,0
CCOC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1,0
CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,0
CC1(C)OCC(C2OC3OC(C)(C)OC3C2OC(=S)SSC(=S)OC2C(C3COC(C)(C)O3)OC3OC(C)(C)OC32)O1,0
CCOC(=O)C1CC2OC2CC1C(=O)OCC,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1,0
CC(C)=CCc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O,0
Cn1c(=O)c2nc(N3CCCCC3)cnc2n(C)c1=O,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O,0
NCCCCCCCCCCC(=O)O,0
O=c1c(SCc2ccc(Cl)cc2)c(N2CCCCC2)cnn1-c1ccccc1,0
CN1N(c2ccccc2)C(=O)C2=NC=C(C#N)C(=N)C21C,0
Cc1ccc2[nH]c3c(c2c1)C1CCC(C(C)(C)C)CC1C1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)C31,0
CC(Sc1ccccc1)=C1CCCN(Cc2ccccc2)C1.O=C(O)C(=O)O,0
O=c1oc2c3ccccc3c3ccccc3c2c2oc3c4ccccc4c4ccccc4c3c12,0
CCc1nc2ccc(C(F)(F)F)cc2nc1O,0
N#Cc1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,0
OCC12CCCC(CO)(COC1)C2O,0
O=[N+]([O-])C1=C(c2ccccc2)SC=C(c2ccccc2)S1,0
C[Si](C)(c1ccccc1)C1CC(=O)CC(=O)C1,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6ncccn6)cc5)cccc34)cc2)n1,0
CC(=O)OCC1OC(n2c(=O)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,0
CC(C)(C)C1CCC(=O)C(=CCC2CC(=O)N(c3ccccc3)C(=O)C2)C1,0
Sc1ncc(-c2cncc(-c3cnc(S)nc3)n2)cn1,0
Cc1cccc(NC(=O)c2cc3cc(N=Nc4ccccc4Cl)ccc3oc2=O)c1,0
OCC1C(CO)C2CC1C1N=NN(c3ccccc3)C21,0
N#CC(=Cc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1,0
ONC1=Nc2ccccc2C(=S)N2CSCC12,0
Cc1ccc(Oc2cc(C)ccc2P(=O)(O)O)cc1,0
CC(C)OP(=O)(OC(C)C)C(C(C)C)N(C)C(F)=NC(F)(F)F,0
COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccc(C)c(C)c3)c2C)cc1,0
C1CCN(C2=[S+][Ru][SH+]2)CC1,0
N#CC1=C(N)Oc2cc(O)cc(O)c2C1c1ccccc1,0
CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(nc(OC)n(C)c2=O)N1,0
CC(C)(C)n1c(=O)n(C(=O)C(Cl)(Cl)Cl)n(C(=O)C(Cl)(Cl)Cl)c1=O,0
C1=CC2=[N+]3C1=C(c1ccncc1)C1=CC=C4C(c5ccncc5)=C5C=CC6=[N+]5[Zn-2]3([NH+]14)[NH+]1C(=C2c2ccncc2)C=CC1=C6c1ccncc1,0
CSc1cnn(CCC#N)c(=O)n1,0
Cc1ccc(S(=O)(=O)N=C2N(C)CCCS2(=O)=O)cc1,0
COc1cccc(NC(=O)C(=O)C2C=CCS2(=O)=O)c1,0
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)c(Cl)c1,0
CCN(CC)CCN1CC(=O)N2CCCCN2C(=O)C1.O=C(O)C(=O)O,0
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4ncc(-c5ccccc5)s4)CCC32)C1,0
C=CC(C)(C)C12CC3C(=O)NC(=Cc4c[nH]cn4)C(=O)N3C1Nc1ccccc12,0
NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH],0
CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)N(C)C1.O=C(O)C=CC(=O)O,0
O=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)C(Cl)=C(Cl)Br,0
O=S(=O)(F)c1cccc(Cl)c1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,0
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O,0
CC(C)(Cc1ccccc1)C(=C=C=C=C(c1ccccc1)C(C)(C)Cc1ccccc1)c1ccccc1,0
CSC1OC(C)(C)OC1=O,0
CCC12CCCN3CCC4(C(=Nc5cc(OC)ccc54)CC1)C32,0
Cl.Nc1ccc2oc(=O)ccc2c1,0
Cn1c2c(c3ccccc31)CCN(CCCN1CCN(c3cccc(Cl)c3)CC1)C2=O,0
CSc1ccc(C(=C=C=C(c2ccc(SC)s2)c2ccc(SC)s2)c2ccc(SC)s2)s1,0
CCNC(=O)OCc1cnc(C)c(OC(=O)NCC)c1COC(=O)NCC,0
COC(=O)C=CC(C#N)(C#N)N=Cc1cccc(OC)c1,0
CN(O)C(=O)c1ccccc1,0
O=C(C=Cc1cccc(Br)c1)c1ccccc1,0
[BH3-][N+]1(C)CC[N+]([BH3-])(C)CC1,0
O=C(C=Cc1ccc2c(c1)OCO2)NCc1ccco1,0
O=c1c2ccccc2nc2[nH][nH]c(=S)n12,0
O=[N+]([O-])c1ccc(C2=Nc3ccccc3N=C(c3ccccc3O)C2)cc1,0
CCCC(OCC)(OCC)OCC,0
O=C1Cc2c([nH]c3ccc(Cl)cc23)-c2ccccc2N1,0
Cc1nc(C)c(C(=O)NNC(=O)C[N+](C)(C)C)cc1C(=O)NNC(=O)C[N+](C)(C)C.[Cl-],0
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,0
CC1(C)SCC(COC(=O)c2ccccc2)S1,0
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)P(=O)(OCC)OCC,0
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,0
O=C1C(=O)C(c2ccccc2)S(=O)(=O)C1c1ccccc1,0
CC1(C)SC(C)(C)N2C(=O)C3N(C(=O)C21)C(C)(C)SC3(C)C,0
O=C(Nc1cccc(Cl)c1)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,0
CC(=O)Oc1cc(C=C(C#N)C(=O)NCCCCNC(=O)C(C#N)=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1OC(C)=O,0
O=C1CCCC1=Cc1ccccc1,0
COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C,0
O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2c(O)ccc3ccccc23)c1,0
CCn1c2ccccc2c(=O)c2c(OC)ccc(OC)c21,0
O=C(Nc1ccccc1)N(C1=NCC(CI)S1)c1ccc(F)cc1F,0
OC1(O)C=CCCCCCC=C1,0
Cc1ccc(S(=O)(=O)Sc2nnnn2-c2ccccc2)cc1,0
COc1cc2c(cc1OC)C(=O)N1CCCC1CS2,0
CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)NN,0
CC(=O)Oc1ccccc1C(=O)O,0
O=C(NN1C(=O)C(Cl)C1c1ccc(O)cc1)c1ccccc1O,0
CCN1CCN(CC)[Pd-2]12[n+]1ccccc1-c1cccc[n+]12.[O-][Cl+3]([O-])([O-])O,0
COc1ccc(C2=Nn3c(nc4sc(C)c(C)c4c3=O)SC2)cc1,0
C[N+](C)(C)C1CC([N+](C)(C)C)C2c3ccccc3C21.[I-],0
COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)C(N)=O)ccc1O,0
O=C1c2ccccc2C(=O)N1CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O,0
O=C(CC(=O)c1ccccc1)CC(O)(c1ccccc1)c1ccccc1,0
CC(=O)Oc1ccc(C=CC(=O)OC2CCCCC2OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,0
C(=Cc1ccnc2ccccc12)c1ccnc2ccccc12,0
CC1=C(C(=O)NC2CCCCC2)CC(C(=O)NC2CCCCC2)=C(C)N1,0
CCC(=O)C(C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(C(C)C(=O)CC)=N4)n2C1=O,0
CN=c1ssc(=NC(=S)N(C)C)n1-c1ccccc1,0
COCn1cnc2c(=O)n(-c3ccc(OC)cc3)c(=S)n(-c3ccc(OC)cc3)c21,0
O=S(c1ccc(Cl)cc1)S(=O)c1ccc(Cl)cc1,0
O=C(CBr)N1CCC2(CC1)SSC1(CCN(C(=O)CBr)CC1)S2,0
CCCC[Sn]1(CCCC)OC(=O)c2cc(C)ccc2O1,0
CN(C(=O)C12C3C4C1(C(=O)O)C1C2C3(C(=O)O)C41C(=O)N(C)C(C)(C)C)C(C)(C)C,0
CCOC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1,0
Cc1ccc(NC(=O)c2cc3c(cc2Cl)Sc2nccn2S3(=O)=O)cc1,0
CN(C)c1ccc(C=c2sc3nnc(-c4cccnc4)n3c2=O)cc1,0
O=S1(=O)CC(Cl)C(Sc2ccccc2)C1,0
Cn1c2ccccc2c2ccc3c(c21)C(=O)c1ccc2c4ccccc4n(C)c2c1C3=O,0
CCN(CC)P1(=S)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1,0
C=C1C2=C(CCCC2)C(=O)OC12CCCCC2,0
COC(=O)C1C2CCCN2OC1(C)CO,0
CN(C)CC[N+]([O-])=C(c1ccccc1)C12CC3CC(CC(C3)C1)C2,0
O=C=Nc1cccc(S(=O)(=O)c2cccc(N=C=O)c2)c1,0
CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cccc[n+]1[O-],0
C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,0
I.OCCN(C1=NCCN1)[N+](=Cc1ccc(Cl)cc1)[CH-]c1ccc(Cl)cc1,0
N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1O,0
CCOc1ccc2nc(NC(=O)C(=O)C(C(=O)c3ccccc3F)C3OC(=O)c4ccccc43)sc2c1,0
Cc1cc(O)nc2cc(N(C)C)ccc12,0
C1=CC2=CC=CC3c4nc5ccc6ccccc6c5nc4C(=C1)C23,0
CCc1c(Cc2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,0
COc1ccc(S(=O)(=O)O)cc1N=NC(=NNc1cc(S(=O)(=O)O)ccc1OC)C(=O)Nc1ccccc1.[NaH],0
CSc1ncnc2c1C[PH](Cc1ccccc1)(c1ccccc1)CC2,0
COC(C(=O)OC1C(=O)N2CCC3CCCC1C32C)c1ccccc1,0
CC12CCC(O)CC1=CCC1C2CCC2(C)C3=NN=CC3CC12,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)cc1NC(=O)c1cccc(N)c1,0
O=S1Cc2ccccc2CS1,0
CSc1nc(NC2OCC(O)C(O)C2O)cc(=O)n1C,0
CCCOC(C(=O)OC1CCC2CCC1N2C)(c1ccccc1)c1ccccc1,0
c1ccc(SC(CCCCC(Sc2ccccc2)Sc2ccccc2)Sc2ccccc2)cc1,0
CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2Br)=N1,0
COC1OC(OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N,0
O=C(C(=Cc1ccccc1Cl)c1ccccc1)c1ccccc1,0
CCCNC1=NC(C)=CSC(Nc2ccccc2)=C1C#N,0
O=C1Cc2c(-c3cccs3)cc(-c3ccccc3)nc2-c2ccccc2N1,0
CC(=O)O.CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CC)CC)cc1C2=O,0
O=C(O)C(=Cc1ccc2c(c1)OCO2)C(=Cc1ccc2c(c1)OCO2)C(=O)O,0
C[S+](C)CCS(=O)(=O)O,0
Cc1ccc(C2C(C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1,0
c1cc2nsnc2c2c[nH]cc12,0
CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)CCO3,0
N#CC(C#N)=C1C(=O)NC(N)=C1C#N,0
N#Cc1nc(Nc2ccc(Cl)cc2)sc1N,0
CC(O)C(NCNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)c1c(O)cccc1C3(C)O)C(=O)O,0
C[PH](C)(C)[Fe-3](C#[O+])(C#[O+])(C#[O+])[PH](C)(C)C,0
S=C(Nc1ccc2c(c1)oc1ccccc12)c1cccs1,0
O=C1C(=Cc2cccc(F)c2)Cc2ccccc21,0
Oc1ccc2ccccc2c1NCn1nc(CCCCCCCCc2nn(CNc3c(O)ccc4ccccc34)c(=S)o2)oc1=S,0
COc1ccc(CC[N+](C)(C)C)cc1,0
NCc1ccccc1-c1c2ccc(n2)c(-c2ccccc2CN)c2ccc([nH]2)c(-c2ccccc2CN)c2ccc(n2)c(-c2ccccc2CN)c2ccc1[nH]2,0
O=C(O)Cc1ccccc1CCc1ccccc1Cl,0
CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32,0
COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c(OC)c1OC,0
O=C(C=Cc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1,0
COc1ccc(-c2cc(-c3ccccc3)nc(N)c2-c2ccc3ccccc3c2)cc1,0
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2O.[NaH],0
CC1=CC(=O)C(=Cn2c(=S)sc3ccccc32)C(=O)O1,0
CN(C)N=Nc1ccc2[nH]c(=O)[nH]c2c1,0
N#CC(C(=O)C(=NN)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
CC1(C)OC2OC(COC(=O)C=[N+]=[N-])C3OC(C)(C)OC3C2O1,0
CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc(C)n1,0
COc1cc(C(=O)CBr)c(OC)cc1C,0
COC(=O)C=C(C)C=CC1OC(C)OCC1O,0
CC1(C)N=c2c(ncn2Cc2ccccc2)=C(C(N)=O)N1,0
Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12.Cl,0
O=C1C2ON3c4ccccc4C(=O)C3(c3ccccc3)C2C(=O)N1c1ccccc1,0
C=CCc1ccc(Oc2cc(CC=C)c3c(c2O)OC(CO)C3c2ccc(O)c(-c3cc(CC=C)ccc3O)c2)cc1,0
COc1cccc(C(CC(O)(C(F)(F)F)C(F)(F)F)=NN(C)C)c1,0
Cc1ccc(N(C(=O)CC(=O)NN=Cc2ccccc2O)C(=O)c2ccccc2)cc1,0
CCOC1OC(COC(=O)C(C)(C)C)C(O)CC1n1cc(C)c(=O)[nH]c1=O,0
Nc1nc(O)c2c(n1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,0
CCCCCCC=CCCCCCCCCCc1c(O)c(OC)cc(O)c1CN(C)C.Cl,0
O=S1(=O)CC2(N3CCOCC3)CCCCC21,0
C=CCC1C(=O)C(C(=O)OC)N2CCc3c([nH]c4ccccc34)C12,0
O=c1c(Cl)c(N2CCCCC2)cnn1-c1ccccc1,0
COC1(OC)CC(CO)(CNc2cc(Cl)nc(N)n2)C1,0
CN(C)CCNC1=Nc2ccccc2C(=S)N2CSCC12,0
COc1ccc(CCn2cnn3c(=O)c4ccccc4nc3c2=O)cc1OC,0
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1O,0
C[n+]1cccc2ccc(OC(=O)c3ccccc3)cc21.[I-],0
CC(C)(C)c1ccc2c(c1)CNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCc2cc(C(C)(C)C)ccc2OC1,0
CC1NC(=O)CNC(=O)CNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(C)NC1=O,0
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc([N+](=O)[O-])ccc2oc1=O,0
Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1nc2ccccc2o1,0
CCCCC(=O)[OH+][Co-4](N)(N)(N)(N)N.[O-][Cl+3]([O-])([O-])O,0
Cc1ccc(S(=O)(=O)NC(=O)n2ccnc2C)cc1,0
O=C1C2=Nc3ccccc3C(O)(C(=O)O)N2c2ccccc21,0
CN1CCN(C(=S)N(C)C(=O)c2ccc(Cl)cc2)CC1,0
O=C(Nc1ccc(Cl)cc1Cl)C(Cl)=C1Sc2ccccc2NC1=O,0
CCNc1cc2oc(=O)cc(C(F)(F)F)c2cc1C,0
COc1cc(OC)c2c(=O)c3cccc(C)c3n(C)c2c1,0
CCOc1ccc(-n2c(=O)c3nn4c(=O)n(-c5ccc(OCC)cc5)c(=O)c4nn3c2=O)cc1,0
N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)c1ccc2ccccc2c1,0
CCOC(=O)C1=C(N2CCCC2)NC(=O)CC1=O,0
CCOC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)OCC1=NNS(=O)(=O)c1ccc(C)cc1,0
NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1,0
CCCCCCCCCCCCCC=CC(OC(=O)c1ccccc1)C(CO)N=[N+]=[N-],0
COC1OC(CCC2NC(CO)C(O)C(O)C2O)C(O)C(O)C1O.Cl,0
COc1cccc2c(=O)c3c(n(C)c12)OC(C(C)C)C3,0
CC1(C)C2CCC(C2)C1C=C1SC(=S)NC1=O,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cccc([N+](=O)[O-])c1,0
O=C(OC1C2CCN(CC2)C1CN1CC=C(c2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1,0
CCOc1ccc(N=Nc2ccc3oc(=O)c(C(C)=NNC(=O)CC(=O)Nc4cccc(OC)c4)cc3c2)cc1,0
Nc1ncnc2c1ncc(=O)n2C1CC(O)C(CO)O1,0
CC1=NC(C(=O)O)Cc2c1[nH]c1ccccc21,0
C=CC1CN2CCC1CC2=NO,0
COC(=O)C1=C(CS(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)C1c1ccccc1,0
O=C1C(Cl)N(c2ccccc2Cl)C1c1c[nH]c2ccccc12,0
CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(OC)c2)c1Br,0
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1cn(-c2ccccc2)nc1-c1ccccc1,0
COc1ccc2c(=O)c(O)c(-c3ccccc3)oc2c1,0
C=C(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,0
O=C1C(Cl)N(c2ccc(Cl)cc2Cl)C1c1c[nH]c2ccccc12,0
CC1(C)OC2C(COCc3ccccc3)C3CC(=O)OC3C2O1,0
CC(C)(C)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,0
CC1(C)CCCC2CC2CCC(C)(C)C1=O,0
CC1=CC(O)C(=O)C=CC=Cc2csc(n2)C(C)NC(=O)CC2(CC1)S(=O)SC(=O)C2(C)O,0
COCCCCCCCCCCCC(=O)O,0
CSC[c-]1nc2ccccc2c(C)[n+]1=O,0
CC(NC(=O)C(N)CC(=O)O)NC(=O)C1CCC1,0
CON=C(C(=O)N(C(=O)C(=NOC)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)n1cnn(CC(=O)OC(C)(C)C)c1=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1,0
Clc1nc(Cl)nc(Nc2ncccn2)n1,0
NCCSSCCCCSSCCN,0
O=c1cnn(C2OC(CO)C(O)C2O)c(=S)[nH]1,0
COc1cc2c(cc1OC)-c1c3cc(O)ccc3nn[n+]1CC2.[Cl-],0
O=C1CC2(CCc3ccccc32)C(=O)N1CN1CCN(c2ccccn2)CC1,0
CC(=O)NC(CSSCC(NC(C)=O)C(=O)O)C(=O)O,0
O=C1CCc2c(Cl)sc(Cl)c21,0
CC(=O)OC1CCCCC1c1ccccc1,0
CC[N+]1(CC)CCN[Pd-2]12[n+]1ccccc1-c1cccc[n+]12.[O-][Cl+3]([O-])([O-])O,0
O=C(CC(NC(=O)OCc1ccccc1)C(=O)NC1Cc2ccccc2C1=O)OCc1ccccc1,0
Cl.OCC1OC(n2cnc(C3=NCC(O)CN3)n2)C(O)C1O,0
CCOC(=O)C(C(=O)c1ccccc1)=C1NC(C(=O)OCC)CS1,0
N=C(N)NNC(O)(C(=O)O)C(=O)O,0
Cc1ccc2nccc(C=Cc3ccc(N(C)C)cc3)c2c1,0
CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1Cc1cnn(-c3ccccc3)c1N2,0
C=CCN1CCC(O)(c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1,0
CSc1ccc(C=C2CNCC(=Cc3ccc(SC)cc3)C2=O)cc1.Cl,0
COc1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1,0
N#Cc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0
COc1ccc(C(=O)O)c2c(=O)c3cccnc3[nH]c12,0
Nc1ccc([N+](=O)[O-])cc1N=CC=Cc1ccccc1,0
CC(=O)Oc1ccc2c(=O)c(C(C)=O)coc2c1,0
CC(C)OP(=O)(OC(C)C)C(=N)NNc1ccc([N+](=O)[O-])cc1,0
O=C(O)C(Cl)=C(Cl)Nc1cccc(C(F)(F)F)c1,0
C=C(C)C1(O)CCCCC1CC(Sc1ccccc1)Sc1ccccc1,0
COc1ccc2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1OC,0
O=C(CN1C(=O)c2cccc3c(Br)ccc(c23)C1=O)c1ccc(Cl)cc1,0
NC(=O)C1N=NSC1NC(=O)c1ccc([N+](=O)[O-])cc1,0
COc1ccc(C=C2CCCC(C(NO)c3ccc(OC)cc3)C2=NO)cc1,0
O=C(O)C=CS(=O)(=O)O,0
CN1C(=S)Nc2ncn(C)c2S1(=O)=O,0
O=C(O)CCCCC1CCSS1,0
O=C(O)CC(NC(=O)CP(=O)(O)O)C(=O)O.[NaH],0
Cc1ccc(S(=O)(=O)ON2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1,0
Cl.Cn1cnc(CCc2ccccc2)n1,0
COc1cc(OC)c2c(=O)cc(-c3ccncc3)oc2c1,0
CN(C)CCOc1ccc(-c2c(Oc3ccccc3)c(=O)oc3ccccc23)cc1,0
NNC(=O)C(NC(=O)c1ccccc1)=C(N)c1cccc([N+](=O)[O-])c1,0
Cc1c(CCCl)c(N=[N+]=[N-])n2c(nc3ccccc32)c1C#N,0
O=C1NC(N2CCOCC2)=NC1=Cc1ccccc1,0
COCn1c(C)c(C)c2c(=O)oc(=O)[nH]c21,0
NNC(=S)NN=C(C(=O)Nc1cccc(O)c1)C1C(=O)NC(=S)NC1=O,0
N=C(NN=Cc1ccc(Cl)cc1)C(=N)NN=Cc1ccc(Cl)cc1,0
NNC(=O)C(=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1,0
S=C(SSC(=S)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,0
N#Cc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,0
COc1cc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O,0
Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12,0
CCCCNN=Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,0
COc1cc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)C)c(Oc2cc(CC3c4cc(OC)c(OC)cc4CC[N+]3(C)C)ccc2OC)cc1OC,0
O=C(O)CCC1C(=O)C2CCN1CC2,0
CCOC(=O)C=Cc1ccc(Br)cc1,0
CN(C)CC[n+]1nc2cccc3cccc([nH]1)c32.[Cl-],0
Cc1c(C)c([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O,0
CC(C)=CCCC(C)CCO,0
C/C(=C(\CCOC(=O)c1ccccc1)SS/C(CCOC(=O)c1ccccc1)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N,0
O=C1CCCCC1CN1CCCCC1,0
N#Cc1cc(I)c(O)c(I)c1,0
c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1,0
CCCC[n+]1ccc(C)cc1.F[B-](F)(F)F,0
CCCCCCCCCCCCI,0
CNC(=O)Oc1cccc2ccccc12,0
C=COCC1CCC(CO)CC1,0
CCCc1cc(C(N)=S)ccn1,0
CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,0
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,0
COC1CCC=CO1,0
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,0
CCCC[N+]1(C)CCCCC1.O=S(=O)([O-])C(F)(F)F,0
CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1,0
CCC1(CC)C(=O)N=C([O-])NC1=O,0
CCn1cc[n+](C)c1.N#C[S-],0
CCCCc1c(C)nc(NCC)nc1O,0
CCCCCCCC/C=C\CCCCCCCC(N)=O,0
CCCCC(C=O)CC,0
C1COC(NC(C2CC2)C2CC2)=N1,0
CO[C@H]1[C@H]([C@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2,0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,0
c1ccc(C[n+]2cccc3ccccc32)cc1,0
C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1,0
COc1ccc(Nc2ccc(OC)cc2)cc1,0
O=C(Nc1ccc2[nH]ccc2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1,0
O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl,0
CCCCOC(CC)OC(C)COC(O)CC,0
COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2,0
C=CC(=O)OCCCCO,0
CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-],0
CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,0
Nc1cnn(-c2ccccc2)c(=O)c1Cl,0
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,0
C=CC(=O)OCCCl,0
C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6CC(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1,0
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,0
O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl,0
CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,0
CCC(C)S,0
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC,0
CBr.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1,0
CCCCCCCCCCCCCCCC(=O)OC(C)C,0
CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,0
CCCC(=O)OC/C=C(\C)CCC=C(C)C,0
CC(C)CC(C)N,0
CCC(=O)Oc1ccc(/C(CC)=C(\CC)c2ccc(OC(=O)CC)cc2)cc1,0
Nc1nc2ccccc2s1,0
CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br,0
NS(=O)(=O)[O-],0
O=C([O-])[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1.O=C([O-])[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,0
[Cu+2],0
CC1(C)CCC(NC(=O)[C@@H](N)CCC(=O)O)CC1,0
C=C(C)C(=O)OCCCCCCCCCC,0
CCCCCCCCCCCCCCCCO,0
O=C([O-])c1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1,0
C=CC(C)(O)CCC=C(C)C,0
O=Cc1cccc([N+](=O)[O-])c1,0
Clc1cccc(Cl)c1Cl,0
Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F,0
O=P(O)(O)CCCl,0
Nc1cc(Cl)ccc1Cl,0
ClCCCN1CCN(c2cccc(Cl)c2)CC1,0
CCCCCCCCCCCCCC(=O)OCC,0
N=C1NC(=N)c2cc3ccccc3cc21,0
Nc1cc(-c2ccncc2)c[nH]c1=O,0
CC(=O)C1=C(C)[C@@H]2C[C@]3(C1)[C@@H](CC[C@H]3C)C2(C)C,0
Clc1cc(Cl)c(Cl)nc1Cl,0
CC[N+](CC)(CC)CC,0
O=C1OC2(c3cc(Br)c([O-])cc3Oc3c2cc(Br)c([O-])c3[Hg]O)c2ccccc21,0
CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,0
CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,0
COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2,0
Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O,0
CC(COC(C)(C)C)OCCCO,0
CN(C)CCN(C)CCO,0
CCO[C@@H]1O[C@H](C(COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O,0
Oc1ccc2ccccc2c1,0
CCCCNC(=S)NCCCC,0
Nc1ccccc1S(=O)(=O)c1ccccc1,0
CCCCCCCCCCCCN1CCCCCC1=O,0
CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1,0
COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1,0
CC1=C(C=O)C(C)(C)CCC1,0
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,0
CC(S)C(=O)NCC(=O)O,0
CC(C)=CCCC(C)=CC(=O)O,0
CCCCCCCC/C=C\CCCCCCCCN,0
c1ccncc1,0
Brc1ccc(Br)c(Br)c1,0
C(=C(c1ccccc1)c1ccccc1)c1ccccc1,0
CCCCc1ccc(O)cc1,0
O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,0
CNCc1ccccc1,0
O=C=NC1CCCCC1,0
CCCC[n+]1cccc(C)c1.O=S(=O)([O-])C(F)(F)F,0
CC1(C)OC(=O)Nc2ccc(Br)cc21,0
C=C(Cl)CCl,0
CCCC[N+]1(C)CCCC1.N#CN=C=[N-],0
Clc1cccc(Cl)c1N=C1NCCN1,0
O=S(=O)([O-])NC1CCCCC1,0
CC(C)CCCCCCc1ccc(OCCOCCO)cc1,0
Cc1ccc(NC(N)=O)cc1,0
O=c1ccc2ccccc2o1,0
Oc1c(Cl)c(Cl)cc(Cl)c1Cl,0
Cc1ccc(C(N)=O)cc1N,0
O=C(O)/C=C/c1ccccc1,0
Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl,0
CN(CCO)CCO,0
CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,0
CCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,0
Cc1ccc2c(c1)c1c3n2CCNC3CCC1,0
O=C1NC(=O)c2cc([N+](=O)[O-])ccc21,0
CC(C)(C)C1CCC(O)CC1,0
CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1,0
CC1COc2ccccc2N1,0
CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,0
CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC,0
Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-],0
CC1CCCC1,0
COC(=O)CSc1cc(/N=c2\sc(=O)n3n2CCCC3)c(F)cc1Cl,0
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12,0
CC(C)OC(=O)c1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1,0
COC(OC)OC,0
Cc1cccc(Br)c1,0
CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1,0
CC(C)Cn1cnc2c(N)nc3ccccc3c21,0
Oc1ccccc1,0
CCN(CC)C(=S)SSC(=S)N(CC)CC,0
CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,0
OC(CCl)CCl,0
COc1ccccc1/C=C/C=O,0
CCCCCCCCP(=O)(O)O,0
COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F,0
C=CCOCC1CO1,0
O=C1OC(=O)c2ccccc21,0
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,0
Cc1cccc(C)c1NC(=O)c1ccc(N)cc1,0
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12,0
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1,0
CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O,0
CC(C)(N)Cc1ccccc1Cl,0
CC(=O)NS(=O)(=O)c1ccc(N)cc1,0
C=CCCCCCCCCCC,0
N=C(N)NN=Cc1c(Cl)cccc1Cl,0
C=CCCC#N,0
Nc1ccc2ccccc2c1S(=O)(=O)O,0
O=C1[N-]C(=O)c2ccccc21,0
C=CC(=O)OC(C)(C)C,0
Cc1ccccc1CCl,0
CCOC(=O)c1cccc(N)c1,0
C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O,0
Nc1c(Cl)cc([N+](=O)[O-])cc1Cl,0
O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,0
CC(=O)N(CC(=O)N(C)C)c1ccccc1,0
CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1,0
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1,0
C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0
O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(F)ccc1N1CCC(C(=O)O)CC1,0
CNC1(c2ccccc2Cl)CCCCC1=O,0
O=C(O)c1ccccc1OP(=O)(O)O,0
CCOC(=O)Cc1cccc2ccccc12,0
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0
CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],0
CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1,0
CCN(CC)CCOC(=O)c1cccnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
CC(C)[C@H](C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1,0
c1ccc2c(c1)Cc1ccccc1-2,0
CCCCCOC(=O)c1ccc(O)cc1,0
CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1,0
CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O,0
CC(C)OP(C)(=O)OC(C)C,0
O=C(O)c1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,0
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,0
Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)[O-])cc3ccccc23)c1O,0
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[C@@]21C,0
CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21,0
COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1,0
O=C(Cc1ccccc1)c1ccccc1,0
COC(=O)C1=CCCN(C)C1,0
CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,0
C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C,0
S=C=S,0
O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,0
c1cc(C(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1,0
COP(=O)(OC)O/C(C)=C/C(=O)N(C)C,0
COc1ccc(-c2cc(=S)ss2)cc1,0
CCOP(=S)(OCC)SCCl,0
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0
NCCCCCC(=O)O,0
Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,0
C[N+](C)(C)CC(O)CC(=O)[O-],0
CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1,0
O=C(OCc1ccccc1)c1ccc(O)cc1,0
c1ccc(NNc2ccccc2)cc1,0
CC(C=O)Cc1ccc(C(C)(C)C)cc1,0
C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,0
O=C(O)C(Br)CBr,0
Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,0
CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21,0
Cc1oc(C)c(C(=O)Nc2ccccc2)c1C,0
O=C(O)COc1nc(Cl)c(Cl)cc1Cl,0
CO[Si](C)(C)OC,0
COP(C)(=O)OC,0
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,0
CCCCCCC(CO)CCCC,0
CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1,0
CC(=O)OC(C)C,0
C=C(C)C(=O)OCC1CO1,0
CC(O)CN(CC(C)O)CC(C)O,0
CC(C)NCC(O)c1ccc(N)c(C#N)c1,0
C=C[Si](OCCOC)(OCCOC)OCCOC,0
CSc1ccc(Cl)cc1,0
Nc1ccc2ccccc2c1,0
CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)cc1,0
Cc1cc([N+](=O)[O-])ccc1N,0
O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0
Nc1ccc(S(=O)(=O)[O-])cc1,0
Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,0
CCOC(=O)C(C)C(C)=O,0
O=C1c2ccccc2C(=O)N1SC1CCCCC1,0
CC(O)C(=O)O[Hg]c1ccccc1,0
CCC(C)Nc1ccc(NC(C)CC)cc1,0
CO[Si](C)(OC)OC,0
CC(COc1ccccc1)NN,0
CCCCCCCCCCCCS,0
C=CC(C)(O)CCCC(C)CCCC(C)CCCC(C)C,0
Cn1cnc2c(=O)nc(N)[nH]c21,0
CCOc1cc([N+](=O)[O-])c(OCC)cc1N1CCOCC1,0
CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32,0
Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1,0
CCC(C)(C)C1CCC(OC)CC1,0
CCOC(=S)SSC(=S)OCC,0
COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C,0
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]21,0
c1ccc(Oc2ccccc2)cc1,0
Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,0
OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,0
CC(C)CCCC(C)CC=O,0
N=C(N)c1ccccc1,0
CCCCCCCCCOC(=O)c1ccc(O)cc1,0
CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1,0
C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,0
O=NN1CCCC1,0
NC(Cc1c[nH]c2ccccc12)C(=O)O,0
C1CCNCC1.O=c1[nH]cnc2[nH]cc(CN3CCCCC3)c12,0
O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
O=Cc1cc2ccccc2o1,0
COC(=O)c1ccc(C(=O)OC)cc1,0
COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F,0
O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0
O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1,0
CC(=O)C(C)=O,0
CCCCCc1cccc(=O)o1,0
CC(=O)CCc1ccc2c(c1)OCO2,0
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1,0
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0
CC(C)(C)NC[C@H](O)c1ccc(O)cc1Cl,0
Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1,0
COc1ccc(C(=O)N2CCCC2=O)cc1,0
BrCBr,0
CC1(C)C(=O)N(Br)C(=O)N1Br,0
Cc1ccc(Cl)c(N)c1Cl,0
COc1c(Br)cc(Br)c(C)c1Br,0
N=C1NC(=N)c2ccccc21,0
c1ccoc1,0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,0
CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O,0
O=C(CCCl)NCc1ccccc1,0
COCCOCC(OC)OC,0
CC=C1CC2C=CC1C2,0
Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],0
COC(=O)N(OC)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1,0
c1nc[nH]n1,0
Cc1cccc([N+](=O)[O-])c1,0
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,0
CN(C)CCCCl,0
CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12,0
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,0
OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,0
CCCCOC(=O)CCCCC(=O)OCCCC,0
O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr,0
CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21,0
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,0
COc1ccc(CN2CCNCC2)c(OC)c1OC,0
O=C[O-],0
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,0
CCCC(CCC)(C(=O)OCC)C(=O)OCC,0
CN1CC(=O)NC1=N,0
COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12,0
O=Cc1c(Cl)cccc1Cl,0
C/C(=N/NC(=O)c1ccncc1)C(=O)O,0
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O,0
O=C1CCCCCO1,0
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,0
CC(C)Cc1ccc([C@H](C)C(=O)O)cc1,0
CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1,0
CC(=O)CCC(C)C,0
[As]#[In],0
C=C1C[C@]23CC[C@@H]4[C@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@]4(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C3,0
CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C.O=C(O)CCC(=O)O,0
CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(=O)O,0
Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)cc(O)c(c1-4)C2=O,0
CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,0
CN(C)C(=O)NC1(c2ccccc2)CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1,0
Oc1ccccc1Cc1ccccc1O,0
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,0
CCCCCCCCCCCCCCCC[N+](C)(C)CC,0
O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,0
C[N+]1(C)CCCCC1,0
C1CN2CCN1CC2,0
Nc1nc(N)c(N)c(N)n1,0
CCC(C)Cl,0
Cc1ccccc1Cl,0
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,0
O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,0
COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1,0
CCOC(=O)c1ccccc1C,0
COC(=O)CC(=O)OC,0
NCCCN(CCO)CCO,0
CCC(C)C(C)(COC(N)=O)COC(N)=O,0
O=C(c1ccccc1)c1cccc(O)c1,0
COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1,0
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,0
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O,0
CC[Sn](Br)(CC)CC,0
CCOC(=O)c1cccnc1,0
CC(C)(C)C1CCCCC1=O,0
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2,0
O=C(Cl)c1cccc(C(=O)Cl)c1,0
CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC,0
COC(=O)Nc1nc2cc(C(=O)C3CC3)ccc2[nH]1,0
CC1=CC[C@H](C(C)C)C=C1,0
O=Cc1ccc(Cl)cc1,0
NC(=O)Nc1nc2ccccc2[nH]1,0
O=C(O)CCCCCCCCCCC(=O)O,0
O=S(=O)(O)c1ccccc1,0
CCN(CC)CCNC(=O)COc1ccc(Cl)cc1,0
CCOc1c(N2CCOCC2)cnn(C)c1=O,0
CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1,0
CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,0
C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0
Clc1sc(Cl)c(Cl)c1Cl,0
Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,0
COc1cc(CC(C)N)cc2c1OCO2,0
CCCCCCOC(=O)CCCCC(=O)OCCCCCC,0
Cc1cccc(C(C)(C)C)c1O,0
CC(=O)N[C@@H](CCC(=O)O)C(=O)O,0
CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,0
Cc1cccc(Nc2ncccc2C(=O)O)c1C,0
CC(=O)CCC1=C(C)CCCC1(C)C,0
O=c1c(=O)c2cccc3cccc1c32,0
O=C([O-])P(=O)([O-])[O-],0
CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1,0
O=C1CCCCC1Cl,0
O=C(O)c1ccc(O)c(O)c1,0
O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl,0
CC(C)(C)NCCNC(C)(C)C,0
CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=CC1=O,0
CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O,0
Brc1cccc(-c2ccccc2)c1,0
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,0
CC12CCCC=C1C(=O)OC2=O,0
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,0
O=C(O)C(Cl)Cl,0
C/C(=C(/OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1,0
CN(C)CCc1ccc(O)cc1,0
Cc1ccc([N+](=O)[O-])cc1Cl,0
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,0
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,0
CC(C)NC(C)Cc1ccc(I)cc1,0
Oc1ccc2ccc3cccc4ccc1c2c34,0
CCCO,0
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2,0
c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2,0
Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl)cc1,0
CNC(=O)Oc1ccccc1C(C)C,0
C=C(C)C(=O)OCCCCCCCC(C)C,0
CCN(CC)C(=O)c1cccnc1,0
C=CC(=C)CCCC(C)(C)OC(C)=O,0
COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC,0
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3nnc(C)n3)CS[C@H]12)c1csc(N)n1,0
CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl,0
CCC(C)O,0
O=C(c1ccc(O)cc1O)c1ccc(O)cc1O,0
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,0
c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1,0
C=CCOC(=O)CCC1CCCCC1,0
CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21,0
C=C(C)C(=O)OCCCCCCCCCCCC,0
CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1,0
COC(=O)C1(O)c2ccccc2-c2ccccc21,0
CS(=O)(=O)O,0
O=C1OC(=O)c2c(Br)c(Br)c(Br)c(Br)c21,0
CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I,0
O=C(/C=C/c1ccccc1)NCCO,0
Clc1cc(Cl)cc(Cl)c1,0
O=C([O-])[O-].[Sr+2],0
CCCCSP(=O)(SCCCC)SCCCC,0
O=C1NC(=O)c2cccc3cccc1c23,0
O=C(O)c1c(Cl)cccc1Cl,0
CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1,0
CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,0
CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1,0
CC(C#N)CCC#N,0
O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1,0
CC(C)=CC(C)(C)C,0
CCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,0
OC(c1ccccc1)(c1ccccc1)C1CCNCC1,0
Nc1ccc(Cl)c(Cl)c1,0
CCOP(=O)(CC)OCC,0
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1,0
Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,0
CC(C)=CCO,0
O=C1CN2CCOC2(c2ccccc2Cl)c2cc(Cl)ccc2N1,0
Clc1ccc2ccccc2c1,0
O=C(NS(=O)(=O)/C=C/c1cccs1)c1ccc(F)cc1Br,0
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,0
O=C(O)C(=O)O,0
CCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F,0
CCCCCCCCCCCCCC[n+]1ccc(C)cc1,0
C=CCN(CC=C)C(=O)C(Cl)Cl,0
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,0
CC(=O)NCCCCCC(=O)O,0
CCCC[N+](CCCC)(CCCC)CCCC,0
CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1,0
Cc1ccc(C(C)(C)C)cc1,0
O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1,0
O=c1[nH]c2ccccc2c(=O)o1,0
CC1COC(=O)O1,0
OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1,0
CC1(C)CC(N)CC(C)(C)N1,0
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,0
CCCC(=O)C(=O)O,0
O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,0
CCCCCCCCCCCO,0
COc1cc(S(=O)(=O)[O-])c(C)cc1/N=N/c1c(O)ccc2cc(S(=O)(=O)[O-])ccc12,0
O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21,0
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O,0
Cc1ccc(N)c(N)c1,0
Cc1cccc(C)c1[N+](=O)[O-],0
O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C\Br,0
CCCCCCCCCCCCc1ccccc1,0
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,0
Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,0
CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,0
OCC(O)COc1ccc(Cl)cc1,0
O=C1Cc2ccccc2N1c1c(Cl)cccc1Cl,0
C[Si](C)(C)O[Si](O)(O)O,0
O=C([O-])C(Cl)(Cl)Cl,0
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2,0
O=C(NCN1CCOCC1)c1cnccn1,0
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1,0
CCOP(=S)(OCC)Oc1cnc2ccccc2n1,0
CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC,0
CC(=O)OCCC(C)CC(C)(C)C,0
O=C(O)C1C2CCC(O2)C1C(=O)O,0
CC(=O)N[C@H]1[C@@H](O[C@@H]2C(C(=O)[O-])C[C@@H](O[C@@H]3[C@@H](CO)O[C@H](OC4C(C(=O)[O-])O[C@@H](OC5[C@H]6CO[C@H](O6)[C@H](NS(=O)(=O)[O-])[C@H]5O)[C@H](O)[C@H]4O)[C@H](NC(C)=O)[C@H]3C)[C@H](O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H]1O,0
CCOC(=O)Oc1ccc(CCNC(=O)[C@H](CCSC)NC(C)=O)cc1OC(=O)OCC,0
O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,0
CCS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1,0
N[C@H](C(=O)O)c1ccc(O)cc1,0
CC(C)CCOCc1ccccc1,0
Nc1ccc(/N=N\c2ccccc2)c(N)c1,0
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12,0
CC1(C)NC(=O)NC1=O,0
CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1,0
O=CC=C(c1ccccc1)c1ccccc1,0
NCCS(=O)(=O)O,0
CCNCCO,0
C=CC1(C)CC(OC(=O)CO)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,0
CC1(C)Cc2cccc(O)c2O1,0
Cc1cc(Cl)c(C)cc1Cl,0
CNCCCCOc1ccccc1Cc1ccccc1,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,0
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0
C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,0
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(N)n3CCO)CS[C@H]12)c1csc(N)n1,0
O=C(/C=C/c1cccc(F)c1)NC1CC1,0
O=C(CCBr)N1CCN(C(=O)CCBr)CC1,0
NC(Cc1ccccc1)C(=O)O,0
CCN(CC#N)c1cccc(C)c1,0
O=[N+]([O-])c1ccccc1-c1ccccc1,0
CC(C)[C@H]1CC[C@H](C)C[C@@H]1O,0
O=c1[nH]c(=O)c2c[nH]nc2[nH]1,0
CCCCCCCCCCl,0
FC(F)OC(Cl)C(F)(F)F,0
Nc1nnnn1-c1ccccc1,0
Oc1ncnc2[nH]ncc12,0
NC1CCCCC1N,0
CCCCCCCCC,0
CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1,0
CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0
CCCCCCCCCC(=O)O,0
O=C(O)c1cccnc1C(=O)O,0
CCN1CN(CC)CN(CC)C1,0
CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0
CC=CC(=O)CCCC,0
COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,0
CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21,0
CCOc1ccc(NC(=S)Nc2ccc(OCC)cc2)cc1,0
CCCCOC(=O)c1ccccc1,0
CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,0
C=CCCCCCCCCOC(C)=O,0
COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C,0
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,0
Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br,0
CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0
O=C1O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@H]1O,0
C=CC(=O)OCCC#N,0
O=P(OCCCl)(OCCCl)OCCCl,0
c1ccc(OCC2CO2)cc1,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O,0
CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C,0
N#CCCSCCC#N,0
Cc1cc(=O)nc(C(C)C)[nH]1,0
CC(C)=C1CC[C@@H](C)CC1=O,0
CCCCCCCCCCCCCCCCCl,0
CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,0
Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O,0
C#CCO,0
OCCCc1ccccc1,0
CCNP(=S)(OC)O/C(C)=C/C(=O)OC(C)C,0
COS(C)(=O)=O,0
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21,0
O=C(OOC(=O)c1ccccc1)c1ccccc1,0
CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(Br)c1,0
CCCCn1cc[n+](C)c1.Cl[Fe-](Cl)(Cl)Cl,0
CCc1cccc(C)c1N(C(=O)CCl)[C@@H](C)COC,0
CCOC(=O)n1ccn(C)c1=S,0
Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1,0
Oc1c(Br)c(Br)c(Br)c(Br)c1Br,0
[Cu]I,0
NC(=O)c1ccncc1,0
CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,0
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,0
COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1,0
N#CNC(=N)N,0
C=C(C)C(=O)OC1CC(C)CC(C)(C)C1,0
Nc1cc(C(=O)O)ccc1Cl,0
N#CCCCl,0
CNCCC(Oc1ccccc1OC)c1ccccc1,0
Cc1ccc(N)c(S(=O)(=O)O)c1,0
C=C(C#N)CCC#N,0
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,0
CCC(C)(C)c1ccc(O)cc1,0
NN,0
COc1cc(/C=C/C(N)=O)cc(OC)c1OC,0
O=C(O)CCc1nc2ccccc2[nH]1,0
NO,0
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2,0
N#CN,0
CCC(=O)/C=C/C1C(C)=CCCC1(C)C,0
Cc1ccccc1/N=N/c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1,0
c1ccc2c(c1)ccc1ccccc12,0
C=C(Cl)CSC(=S)N(CC)CC,0
CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-],0
C=CCc1cc(OC)c2c(c1)OCO2,0
O=C(O)c1ccc(OCCCOc2ccc(C(=O)O)cc2)cc1,0
CCCCN(CCCC)CCCC,0
O=S(=O)([O-])c1ccc2cc(O)ccc2c1,0
CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2,0
CN1CCN(N)CC1,0
CCN(CCO)CCO,0
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,0
O=C1OC(=O)C2CCCCC12,0
Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C,0
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,0
CC(C)OS(C)(=O)=O,0
C1=CCC=C1,0
Cc1ncc[nH]1,0
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccccc1,0
O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,0
CCn1ccnc1CC1COc2ccccc2O1,0
C=CC(N)CCC(=O)O,0
O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,0
O=S(=O)([O-])c1cc(O)ccc1O,0
c1ccc(-c2nc[nH]c2-c2ccccc2)cc1,0
Cc1c(N)cccc1C(F)(F)F,0
Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,0
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0
CCCCOCCOCCOCCCC,0
C/C=C/C=C/C(=O)[O-],0
Cc1ncc([N+](=O)[O-])n1CC(C)O,0
Cl[Dy](Cl)Cl,0
COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,0
CCC(C)C(=O)OCCc1ccccc1,0
O=[N+]([O-])c1cccc(I)c1,0
CNC(=O)CSP(=O)(OC)OC,0
O=C(c1ccccc1)c1ccc(O)c(O)c1O,0
COC1=CC(=O)OC(CCc2ccccc2)C1,0
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,0
CCC1(C)CC(=O)NC(=O)C1,0
O=S(=O)([O-])CC(S)CS,0
CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1,0
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,0
CC(=O)Nc1cccc(O)c1,0
CCCCCCCCCCCCCO,0
C1CCC2(CCCCO2)OC1,0
CCCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N,0
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0
O=C(O)c1nc(Cl)ccc1Cl,0
Cc1cc(=O)oc2cc(O)cc(O)c12,0
CC1CC(C)C(=O)C1=O,0
CCCCCCOc1ccc(O)cc1,0
CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12,0
CNC(=O)OCC[N+](C)(C)C,0
CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,0
CC/C=C1/OC(=O)c2ccccc21,0
CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1,0
CC(C)C=O,0
NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1,0
CC(=O)[O-].[K+],0
COC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O,0
CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,0
CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C,0
CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21,0
Oc1ccc(Cc2ccccc2)cc1,0
CCOC(C)(C)C,0
CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1,0
CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]2[C@H](O)C1,0
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C,0
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,0
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,0
C=CC(=O)NC(C)C,0
CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],0
CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1,0
CCCCCCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,0
CCC(O)OC(O)CC,0
CN(C)CCCCCCN(C)C,0
CN(C)CCCN(C)CCCN(C)C,0
CCCCCCCCCOCC1CO1,0
O=C(O)C(Cl)(Cl)Br,0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,0
CCCC[n+]1ccc(C)cc1.O=S(=O)([O-])C(F)(F)F,0
O=C([O-])C(Cl)Cl,0
CC(=O)O,0
Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0
CCO[Si](CCCN)(OCC)OCC,0
CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,0
CCc1ccc(O)c(OC)c1,0
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Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1,0
OC1OC[C@@H](O)[C@H](O)[C@@H]1O,0
CC(=O)c1cccnc1,0
CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](C=CC(C)(C)[C@]1(O)O2)O4)O3,0
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CCCC(=O)CC,0
c1ccc(CCCc2ccncc2)cc1,0
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CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC,0
CC(C)Nc1ccc(Nc2ccccc2)cc1,0
CCCCOC(=O)CO,0
CCCCCCOCCOCCO,0
CCCOc1ccc2nc(NC(=O)OC)sc2c1,0
Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1,0
Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1,0
Oc1cc(Cl)cc(Cl)c1,0
CC(=O)OC(C)(C)C1CC=C(C)CC1,0
CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,0
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C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,0
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c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1,0
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,0
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,0
CC1(C)SC(C)(C)SC(C)(C)S1,0
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COc1cc(C[C@H](C)N)c(OC)cc1C,0
Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,0
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Oc1ccc(Cl)cc1Cl,0
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Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,0
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