Standardized_SMILES,Activity_Label
CCOc1ccccc1/C=C1\SC(=S)NC1=O,0
O=C(N[C@@H](Cc1ccccc1)B(O)O)C(Cc1cccc2ccccc12)NC(=O)N1CCOCC1,1
CCN(CC)CCOC(=O)c1c(OC)ccc(OC)c1OC,0
COCCCN[P@]1(=O)OC[C@](C)([N+](=O)[O-])CO1,0
CC(C)=NNc1ncnc2[nH]cnc12,1
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](OC)[C@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]1[C@@H]2O,1
CCOC(=O)c1ccc(NC(N)=S)cc1,0
O=C1C=CC(=O)N1C(=O)NC(NC(=O)N1C(=O)C=CC1=O)c1ccc2c(c1)OCO2,0
COc1ccc(C2OCC(C)(C)CO2)cc1OC,0
N#CN1C2CCC1CC(O)(c1ccccc1)C2,0
CN(C)CCCNc1ccc2ncn3c4ccccc4c(=O)c1c23,1
Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2ccccn2)cc1,1
C[C@@]1(c2cccc(Cl)c2)NC(=O)NC1=O,0
CC(=O)S[C@@H](C[N+](=O)[O-])c1ccccc1,1
O=C(/C=C/c1ccc2ccccc2n1)c1cc(Cl)ccc1O,1
CC(C)OP(=O)(CCCCCCCCC/C=C/c1ccc2c(c1)OCCOCCOCCOCCO2)OC(C)C,1
CCCc1cn2c(/C=N/N=C(N)N)c(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)nc2s1.Cl,1
COc1cc(C)cc2c1C(C)(C)CCC2(C)C,0
O=C(C1CCCCC1C(=O)N1CCCCC1)N1CCCCC1,0
Cc1ccc(Nc2nnc3n2S(=O)(=O)c2cc(C)c(Cl)cc2S3)cc1,1
Cl.c1ccc(CCNc2ncnc3[nH]ncc23)cc1,0
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0
O=C1/C(=C\c2ccccc2)[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46,1
COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,1
C=C1CC/C=C(\C)CCC[C@H](C)[C@@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@H]1O,1
CC(C)n1ncc2c(N)ncnc21,0
CCOC(=O)c1cncc(C(=O)OCC)c1,0
Cc1ccc(S(=O)(=O)NC(=O)Nc2nccs2)cc1,0
CC(=O)C1SCC[SH]1C.O=S(=O)(O)C(F)(F)F,0
CN(C)CC1CCCC(CN2CCCCC2)C1=O.Cl,1
Cc1cc(Cl)c(C)cc1Cl,0
Cl.N=C(N)N/N=C/c1c(-c2ccc(Cl)cc2)nc2sc(Cl)cn12,1
CN(C)C(=S)NN=CC=NNC(=S)N(C)C,1
CCCCCC(O)(CCCCC)CCCCCC=CCc1c(O)c(O)c2ccc(=O)[nH]c2c1O,1
COc1ccc(OC)c([C@@H]2CCc3nc4nc(N)nc(N)c4cc3C2)c1,1
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(OC(=O)CCC(=O)O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(OC(C)=O)CO[C@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
COCCOCCOCc1cc2c(cc1Br)OCO2,0
Cl.O[C@@H](c1cc(-c2ccccc2)nc2c1ccc1ccccc12)[C@@H]1CCCCN1,1
Cc1coc(NS(=O)(=O)c2ccc(N=Nc3cc(N=Nc4ccccc4)c(N)nc3N)cc2)c1C,0
CC1(c2ccncc2)OCCO1,0
C[C@]12CC[C@@H]3c4cc(CN5CCOCC5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O,0
C=c1ccc2cc(=C)c(O)c(O)c2c1,1
CCCCCCCCCc1cccc(N2C(N)=NC(N)=NC2(C)C)c1.Cl,1
Clc1ccc(Cc2ccncc2)cc1,0
COC(=O)CSc1ccccc1,0
N#Cc1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],1
O=C(CCCCn1ccc(=O)[nH]c1=O)Nc1ccc(C(=O)O)c(O)c1,0
COc1ccc2c(CN3CCCCC3C(=O)O)cc3cc4c(cc3c2c1)OCO4,1
COc1ccc(C(=O)COc2ccc(/C=C3\Oc4ccc(OC)cc4C3=O)cc2)cc1,0
CCCCC1(C)NC(=O)NC1=O,0
CC1CC2CCCCC2CC1=O,0
CN(C)CCN(C)C(=O)C(c1ccccc1)C1CCCCC1,0
O=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1,1
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
NC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
O=[N+]([O-])c1cccc(C(F)(F)F)c1,0
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H](COC(=O)CCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)[C@H](O)[C@@H]1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O,1
Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc1ncc(Br)cn1,1
c1ccc2c(c1)ccn1ccc3c4ccccc4nc-3c21,1
O=[As](O)(O)c1cccnc1,0
O=C(CCCc1ccccn1)c1ccc(-c2ccccc2)cc1,0
Cc1ccc(N=C2CC(=O)C(=O)c3ccccc32)cc1,1
CN(C)/C=N/S(=O)(=O)c1nn2c(C=O)c(-c3cc4ccccc4oc3=O)nc2s1,1
COc1cc(/C=C2\CC[C@H](C)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC,1
NC(COP(=O)(O)O)C(=O)O,0
C=C1C[C@](OC)(C(OC)C(=O)N(C)[C@H]2OCO[C@H]3[C@H]2O[C@H](C[C@@H](COC)OC)C(C)(C)[C@H]3OC)O[C@H](C)[C@@H]1C,1
O=C(O)c1c(-c2ccccc2)cnc2ccccc12,0
CCCCCCCCOC(=O)c1ccccn1,0
O=C1c2ccccc2C(=O)c2c(NC[C@H]3CO3)ccc(NC[C@H]3CO3)c21,1
Nc1ccc(N2CCOCC2)cc1,0
O=C(c1ccccc1)C1CCC1,0
CC1=Nc2cc(NC(=O)OCCF)nc(N)c2NC1c1ccccc1.ClC(Cl)Cl,1
O=C1C(C([N-]c2ccccc2)c2ccccc2)=C([O-])c2ccccc21.O=C1C(C([N-]c2ccccc2)c2ccccc2)=C([O-])c2ccccc21.[Ni+4],1
O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1,1
CNc1ccc(N)cc1.Cl,0
CCC[As](CCC)SC[C@@H](O)CO,1
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.Nc1cccc(S(=O)(=O)O)c1,1
CC=C(O)C(CCN1CCC2(CCCc3ccccc32)CC1)(c1ccccc1)c1ccccc1.O=C(O)C(=O)O,1
Cc1cc(Cc2cc(C)c(O)c(CO)c2)cc(CO)c1O,0
COC(=O)C1CCC(=O)N1[C@H](c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,1
CC(=O)n1cc(CS)c(=O)[nH]c1=O,0
CCOC(=O)C(N)CSC(=O)NC.Cl,0
O=C(N/N=C/c1ccccc1Cl)c1ccc(Br)o1,0
CCN(CC)CCN1CCNc2c3cc(OC)ccc3nc3c([N+](=O)[O-])ccc1c23,1
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,0
COc1cc(C2c3cc4c(cc3C(Br)C3COC(=O)C23)OCO4)cc(OC)c1OC,1
CS(=N)(=O)CCC(N)C(=O)O,0
O=C1/C(=C\c2ccc([N+](=O)[O-])o2)S[C@@H]2N=C(COc3ccc(Cl)cc3)NN12,1
CCOC(=O)C(=O)CC(C)=O,0
COc1cc(/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc(OC)c1OC.O=S(=O)([O-])C(F)(F)F,1
OCCN1CCOCC1,0
C(CC(=Nc1ccccc1)c1ccc2ccccc2c1)=Nc1ccccc1.Cl,1
CC(=NNC(=S)N(C)C)c1nc2cccnc2[nH]1,1
CSC(=N)N1N=C2C(=Cc3ccccc3)CCCC2C1c1ccccc1.I,1
Cc1ccc([C@H]2C(C(=O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)o1,0
NCCc1ccc(N(CCCl)CCCl)cc1,1
Oc1ccc2ccccc2c1Br,0
CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)C(C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,1
CCOC(=O)C(C#N)=Cc1ccccc1F,0
CCCCCCCCCCC[C@@H]1N=C(N)N=C(CCCO)C1C(=O)OC,1
Cc1cc(=O)cc2sc3cc(Cl)ccc3nc1-2,1
CC(C)N1CSC(=S)N(Cc2ccccc2)C1,1
CC(=O)N[C@H]1CC[C@H](OC(=O)Nc2ccccc2)CC1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(NC(=O)c5cc(NC(=O)c6cc([N+](=O)[O-])cn6C)cn5C)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
Nc1nnc2nc(CC(=O)c3ccccc3)c(CC(=O)c3ccccc3)nn12,0
Cc1ccccc1NC(=S)NN=C(c1ccccc1)c1ccccn1,1
O=C(CCC(=O)N(CCO)CCO)N(CCO)CCO,0
O=C1C(Cl)=C(N2CCN(c3ncccn3)CC2)C(=O)c2c(O)ccc(O)c21,1
C[C@@H](N)c1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0
CCOC(=O)c1c2ncccc2n2c(=O)n(-c3ccccc3)nnc12,0
CCOC(=O)c1c2c(c(C)n1Cc1ccc(OC)cc1)-c1nc(N)ncc1CC2,0
CCC(NN)C(=O)OCc1ccccc1,0
O=C1/C(=C\c2ccc(Br)cc2)CCC/C1=C/c1ccc(Br)cc1,1
CC(=O)c1cccc(Nc2nc3ccc(Cl)cc3c3[nH]c4ccccc4c23)c1,1
O=[N+]([O-])c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1,1
c1ccc(COCCOCc2ccccc2)cc1,0
COc1cc(C2CC(C)(N3CCCC3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
N#CCc1ccccc1,0
CC(=O)O.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,1
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\N3CCOCC3)C[C@@H]12,0
O=C1CN2CC[C@@H]1C/C2=C/c1ccnc2c(Cl)cccc12,0
C=C(C)[C@H]1CC=C(C)CC1,0
Nc1[nH]nc2[nH]c(-c3ccccc3)nc(=O)c12,0
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,0
c1ccc(C(=NNc2nc3ccccc3o2)c2ccccn2)nc1,1
CCC1(Oc2ccccc2)C(=O)NC(=O)NC1=O,0
CC(C)(C)C1CCC(=O)CC1,0
CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,1
CC1(C)C[C@]2(C)OC(=N)[C@@]1(C#N)C2(C#N)C#N,1
OCC1OC(c2ccccc2)OC2COC(c3ccccc3)OC12,0
COC(=O)CC1(CC(N)=O)SCCS1,0
COc1cc(C2c3cc4c(cc3C(NC(=O)c3cccs3)C3COC(=O)C23)OCO4)cc(OC)c1OC,1
CCN(CC)CCCNCc1cc(-c2ccccc2)nc2ccccc12.O=S(=O)(O)O,1
Cc1cc(=O)c2c(=O)[nH][nH]c2[nH]1,0
O=CC=Cc1ccccc1,0
COc1cccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)c1,1
COc1cc(C2c3cc4c(cc3OC(NCCc3ccccc3)C2C)OCO4)cc(OC)c1OC,1
S=C(NN=C(c1ccccc1)c1ccccn1)N1CCCCC1,1
COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2C(=S)Nc2ccc(F)cc2)cc1OC,0
O=S(=O)(CSc1ccccc1)c1ccccc1,0
C=CC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1,1
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1,0
CCCC1OC(C)C(C)O1,0
COC(=O)CC(=O)c1ccc(C)cc1,0
Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,0
COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1CCC[C@H]1CN3)N=CC1CCCN1C2=O,1
CC(=O)NC(N)=S,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(N(C)C)CCC4(C)C3CCC12C,0
O=[N+]([O-])c1ccc([C@H]2Nc3cc(Cl)c(Cl)cc3S(=O)(=O)N2O)cc1,0
CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCC(=O)CCCC[C@H]2CC(C(C)=O)C(=O)O2)O1,1
CC(C)(C)c1ccc(CCO)cc1,0
COc1ccc(-c2nc(N)n(C)c2SSc2c(-c3ccc(OC)cc3)nc(N)n2C)cc1.Cl,1
CC1(C)C=C2Oc3nc(N)c(C#N)c(N)c3[C@@H](c3ccc(F)cc3)C2C(=O)C1,0
CCOC(=O)C(=CC(C)C)C(=O)OCC,0
NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,0
Cc1cc(C)c(O)c(CN(C)Cc2cc(Cl)cc(Cl)c2O)c1,1
Cc1ccc2c(c1)[C@@]1(C)O[C@H](C=CC1=O)O2,1
CCOC(=O)Nc1cc(NC(=O)OCC)ncn1,0
O=C1C(=C(C(F)(F)Cl)C(F)(F)Cl)[C@@H]2CCC1C2,1
O=C1C(Br)=CC2(C=C1Br)CCN=C1C(=O)c3ccccc3C(=O)C12,1
COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(SC)nc(SC)c23)cc1OC,1
CCOC(=O)C(C(C)=O)c1ccccc1,0
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C(N5CC5)=CC(=O)C6(C)C4CCC23C)C1,1
CC1CC(c2ccccc2)C(=O)CN1C,0
CC(C)CO[C@@H]1[C@@H](C)[C@]2(O)C3=C(CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OCC(C)C)C(=O)C(C)C3,1
Cc1nc(-c2cccc(Nc3nc(-c4ccc(Cl)cc4)cs3)c2)cs1,1
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2)cc1,0
COc1ccc2c(c1)OC[C@@](O)(c1ccccc1)C2=O,0
Clc1ccc(/C=N/N2CCCCCC2)cc1,0
COS(=O)(=O)[O-].C[n+]1c2ccccc2cc2c(CNC(CCCN=C(N)N)C(=O)O)cccc21,1
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@H]5CO[C@@H](C(C)C)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
CCCCc1ccc(-c2nn[nH]n2)nc1,0
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1O,1
Cn1c(=NN=C(N)N)ccc2ccccc21,0
O=C1N=c2c(O)c3ccccc3c(O)c2=NC1=CN=Nc1ccc([N+](=O)[O-])cc1,1
COc1cc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1O,1
ON=C1C(Cl)C2CC1C1C=CCC12,0
c1ccc2c(c1)oc1ccccc12,0
O=C(CBr)c1c[nH]c(=O)[nH]c1=O,0
Cc1cccc(C)c1NC=O,0
CCN(CC)CCN1c2ccccc2Sc2ccc3ccccc3c21,1
CC(C)(CN1CCCCC1)C(=O)/C=C/c1ccc(Br)cc1.Cl,1
Cc1cc(N(CC(C)Br)CC(C)Br)ccc1N=Nc1ccccc1C(=O)O,1
CN(C)CCN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21.Cl,0
C=CCC1(C(C)C)C(=O)NC(=S)NC1=O,0
COc1ccc(SCc2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1,1
COC(=O)C(C)NP(=O)(N1CC1)N1CC1,0
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,0
COc1ccc(-n2c(=S)[nH]c3ccc(C)cc3c2=O)cc1,0
Cc1c(N=Nc2ccccc2)c(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,1
CCOC(=O)c1c(CN2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1,1
O=C(O)C(C(=O)C(=O)C(C(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,1
Oc1ccc2ccccc2c1CNc1ccccc1,0
C=CCn1c(-c2ccccn2)n[nH]c1=S,0
CCOC(=O)C1(CC(C)C)CCOC1=O,0
CCCCC(CC)COS(=O)(=O)O,0
CCCCSc1cc(=O)[nH]c(N)n1,0
COC(=O)Nc1nc2cc(C(=O)C3CC3)ccc2[nH]1,1
CCOC(=O)[C@]1(CCOC)CCCCC1=O,0
O=C(Nc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12,0
CN(C)C(=N)OCc1ccccc1,0
CC1(C)OC2=C(C[C@H]1Br)C(=O)C(=O)c1ccccc12,1
CCN=C1C(=O)c2ccccc2C(=O)C1NC(=O)c1cc(OC)cc(OC)c1,1
Nc1nc2cc(Cl)ccc2s1,0
CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC(C)=O)c1ccccc1,1
S=c1nc(-c2ccccc2)c(-c2ccccc2)n[nH]1,0
OCCN(Cc1ccccc1)Cc1ncccc1O,0
CCOC(=O)c1c2ccncc2n2c(=O)n(C)nnc12,0
Cc1cc(N)c(S(=O)(=O)NO)cc1Cl,0
COc1ccccc1[As](=O)(O)CC(O)COc1ccc(Cl)cc1Cl,0
CN(CCC(=O)C(=Cc1ccccc1)c1ccc(Cl)cc1)Cc1ccccc1,1
O=[N+]([O-])/C(Cl)=C(\Cl)C(C(=Nc1ccccc1)Nc1ccccc1)[N+](=O)[O-],1
CC(=O)O[C@]12C=C(C)[C@H](c3c(O)oc(O)c31)C(C)(C)C2,0
C=CCOC(c1ccc2c(c1)OCO2)C(C)Br,0
Oc1[nH]c2ccccc2c1N=NC(=S)N1CCCCC1,1
S=c1sc2ccccc2n1CNc1ccccc1,0
CC(C)(CO)CCCCCCC(C)(C)CO,0
OCCC1COC(c2ccccc2)O1,0
CC(=O)Nc1cccc(F)c1,0
CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3OC(=O)CCl,1
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]12,0
O[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@H]1CCCCN1,1
COc1ccc(/C=C2\C[C@H]3[C@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1OC,1
CCNC(=O)OCCCl,0
CN(C)CCCNc1nc2ccccc2c2[nH]c3ccccc3c12,1
Oc1cccc(Cn2c(-c3cccc(O)c3O)nc3ccccc32)c1O,1
Cc1ccc(S(=O)(=O)C2=Cc3ccc(C(F)(F)F)cc3C2(O)c2cccc(C(F)(F)F)c2)cc1,1
COc1ccc(OC)c(-c2cc(-c3ccccc3)nn2-c2ccc(S(=O)(=O)NC(C)=O)cc2)c1,1
O=C1NC(=S)S/C1=C\c1ccccc1Br,0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=S)Oc2ccccc2)[C@@H]1F,1
C=C(C)c1ccc(C)c(C)c1,0
CCc1ccccc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,1
CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O,1
CC[C@@]1(C2CCCC2)NC(=O)NC1=O,0
COC(=O)CC1S[C@@H](c2cccc(F)c2)N(c2nnc(COc3ccc(F)cc3)s2)C1=O,0
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1,1
O=[N+]([O-])c1ccc([C@@H]2CC(c3ccccc3Cl)=Nc3ccccc3[S@+]2[O-])cc1,1
Cl.O=C1/C(=C/c2ccc(Cl)cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21,1
CC=CC(O)CC,0
c1ccc(CN=C(NCc2ccccc2)NCc2ccccc2)cc1,1
Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cn1,0
N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2cc3c(ccc5ccccc53)cc2-4)C1,1
Cc1ccc(NC(=O)N2CCN(C)CC2)cc1NC(=O)N1CCN(C)CC1,0
CN(C)C1OCC(C)(C)CO1,0
Nc1cc2ccccc2cc1C(=O)O,0
CN=C1NC(C)(C)[C@H]2CC[C@](C)(CC2)S1,0
O=P(Nc1ccccc1)(Nc1ccccc1)c1ccccc1,0
CCc1ccc(NC(C)=O)cc1,0
Cc1cc(=O)n(-c2ccc(N)cc2)[nH]1,0
C[C@]1([N+](=O)[O-])CO[P@@](=O)(Nc2cccc(Cl)c2)OC1,0
C=C1C(=O)OC2C1CC1OC2C(C)CCCC(C)C2CCC1(C)O2,1
S=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12,0
O=C1CCC(=O)c2ccc3c4c(ccc1c24)CC3,0
CC1(C)C2CC[C@]1(C)C(=O)C2N.O=S(=O)(O)O,0
COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CCC[C@H]1CN3)N=CC1CCCN1C2=O,1
CCC1(CC)C(=O)NC(=O)N(CCc2ccccn2)C1=O,0
CC(=NO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)C3C(=O)C[C@]12C,0
COC(=O)C=CC(=O)c1c(C)[nH]c(Cc2[nH]c(-c3ccc[nH]3)cc2OC)c1C.Cl,1
CCOc1ccc(OCC)c([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1.I,1
CC(=O)Nc1ccc([As@@](=O)(O)c2ccc([N+](=O)[O-])cc2)cc1,0
O=C(NN=Cc1ccccc1C(=O)O)C(=O)N/N=C\c1ccccc1C(=O)O,0
ON=C(c1ccco1)C(O)c1ccco1,0
COS(=O)(=O)[O-].C[n+]1c2ccccc2c(CNCC(=O)O)c2ccccc21,1
O=C(C=Cc1ccc(O)c(O)c1)OCCc1cccc2ccccc12,1
N#CCCCCCCCCC#N,0
O=C1O[C@@H](c2cccc3c(F)cccc23)c2ccccc21,0
FCCN(CCF)c1cccc(Cl)c1,0
CC(=NNC(=O)c1ccncc1)c1ccc(O)cc1O,1
CCC1([N+](=O)[O-])COP(=O)(NCc2cccnc2)OC1,0
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O,0
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](I)C[C@@H]12,1
Cc1cc(C)c(C(=O)c2ccccc2Br)c(C)c1,0
COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1,0
Nc1cccc(O)c1,0
Cn1c([N+](=O)[O-])cnc1N1CCN(c2nncs2)C1=O,0
Nc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1,1
Cl.NC1=NCCN1,0
Cl.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCO,1
CC(C)C1OC1(C)C#N,0
O=C(O)C1=CN(c2ccncc2)C(c2ccco2)=C[C@@H]1c1ccccc1[N+](=O)[O-],1
N#CCc1nn(-c2ccccc2)c(N)c1C#N,0
O=C1NC(=O)C(=Cc2cccnc2)C(=O)N1,0
C=CCc1c(C)cc(C)c(C)c1O,0
Nc1nc(Cl)cc(NCCCCCCCCCCCCNc2cc(Cl)nc(N)n2)n1,1
N#C/C(=C\c1ccco1)c1ccc([N+](=O)[O-])cc1,0
COc1cc(C2=C3C(=O)OCC3C(Nc3ccc([N+](=O)[O-])cc3)c3cc4c(cc32)OCO4)cc(O)c1O,1
CC(C=NNC(=S)N1CCCCC1)=NNC(=S)N1CCCCC1,1
CCOC(=O)C=CC(C(=O)C=Cc1ccc(O)c(OC)c1)C(=O)C=Cc1ccc(O)c(OC)c1,1
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCl,1
COc1ccc2sc(-n3nc4ccccc4c3Nc3nc4ccc(OC)cc4s3)nc2c1,1
COS(=O)(=O)[O-].C[n+]1c2ccccc2c(CNc2ccc(S(=O)(=O)N=C(N)N)cc2)c2ccccc21,1
COc1cc([N+](=O)[O-])c2nc(C=NNC(N)=S)ccc2c1,0
CC(C)(C)c1ccc2c(c1)CNCCNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCCNCc2cc(C(C)(C)C)ccc2OC1,1
CN(C)Cc1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc(CN(C)C)c1O.Cl,1
CCOP(=O)(CCN1CCN(CCCCCOc2cc3c(cc2OC)C(=O)N2CCCC2C=N3)CC1)OCC,1
Cc1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1,1
CCc1c(O)[nH]c(=O)n(-c2ccccc2)c1=O,0
Nc1ccc(S(=O)(=O)N/N=C/c2ccccc2Cl)cc1,0
Cl.NCCc1ccc(O)c(O)c1,0
CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)CC(C)(C)C)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
Cc1cc(OCCO)cc(C)c1Cl,0
O=C(O)CN(CC(=O)O)c1c(O)[nH]c(=O)[nH]c1=O,0
CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl,1
CC1CN2C(=O)C1(c1ccccc1)C(=O)NC2=S,0
O=C(c1ccccc1O)N1CCOCC1,0
CCc1ncnc2cc(OC[C@@H]3CO3)c(OC)cc12,1
CCCc1cc(CCC)n2nc(N)nc2n1,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=S)[C@@H]2C)OCO4)cc(OC)c1OC,1
CC(C)c1c[nH]c(=O)[nH]c1=O,0
OC(c1cc(-c2ccccc2)nc2ccc(Cl)cc12)C1CCCCN1,1
Cc1cc(=O)[nH]c(NN2C(Cl)C(=O)C2c2ccc(O)cc2)n1,1
CCCCCCOC(=O)C[C@H]1CC(C(C)=O)C1(C)C,0
C=C1C(=O)O[C@H]2CC(C=O)=C[C@H]3O[C@H]3C(COC(=O)C(C)C)=CCC12,1
CC(c1cc(Cl)ccc1O)c1cc(Cl)ccc1O,1
O=C(O)CC(C(=O)O)c1ccccc1,0
Clc1ncc(Cl)c(Cl)n1,1
CC=c1[nH]c2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23,1
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1ccsc12,1
Oc1c(C=CCc2ccc(C3CCCCC3)cc2)c(O)c2ccccc2c1O,1
CCOc1ccccc1/C=N\NC(=O)CCCCC(=O)N/N=C/c1ccccc1OCC,0
CCOc1ccc(NC(N)=O)cc1,0
C=CCn1c(O)csc1=S,0
O=C1CNc2cc(Cl)ccc2N1,0
CCC1(CC)C(=O)N(c2ccccc2)C(=N)N(c2ccccc2)C1=O,0
CC1=CC(C)(C)NC(=S)N1c1ccccc1,0
Nc1ccc([As@@](=O)(O)c2ccc([N+](=O)[O-])cc2)cc1,0
Nc1ccc(S(=O)(=O)c2cc(O)c3ccccc3c2O)cc1,0
CCCN=C(N)Nc1ccc2cc3ccc(N=C(N)NCCC)cc3nc2c1.Cl,0
CCOC(=O)C=Cc1ccc(C(=O)OCC)[nH]1,1
CCN1/C(=C/C=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-],1
COc1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1,1
CCCC[C@H](CC)CO[C@@H]1CCC=CO1,0
Nc1c(Cl)cc(C(=O)NC2CC2)cc1Cl,0
COc1cc([C@@H]2c3cc4c(cc3[C@H](N)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
C(=C/c1ccc(OC[C@H]2CO2)cc1)\C1=NCOC1,1
Cc1cc(N(CCCl)CCCl)ccc1C=Nc1ccc(-c2csc(Cc3ccccc3)n2)cc1,1
COc1cc(C(=O)c2cc3c(cc2C)OCO3)cc(OC)c1OC,1
CC1CCCN(C(=S)[S-])C1.CC1CCCN(C(=S)[S-])C1.[Cu+2],1
CC(C)(C)c1cc2nc(c1)C(C(F)(F)F)(C(F)(F)F)OB(Br)OC2(C(F)(F)F)C(F)(F)F,1
C=C1C[C@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)O[C@@H]3[C@@H](C)[C@@H]4O[C@@H]5C[C@]6(C[C@@H]7O[C@]8(C[C@@H](C)[C@@H]9O[C@H]([C@H](O)C[C@@H](O)CO)C[C@@H]9O8)C[C@H](C)[C@@H]7O6)O[C@H]5C[C@H]4O[C@H]3C[C@H]3O[C@@H](CC[C@@H]1O2)C[C@@H](C)C3=C,1
Cl.NCCCCCCCCN,0
CC(C)N(C)N=NN(C)C(C)C,0
CCCOc1ccc(/C(Cl)=C(\C=O)c2ccc(OC)c(OC)c2)cc1OCCC,1
CC1(C)Cc2cc(Br)ccc2O1,0
COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC.Cl,1
COc1ccc(C(=O)c2sc3nc(-c4cc5ccccc5o4)cc(-c4ccc(Cl)cc4)c3c2N)cc1,0
O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1,0
CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1,1
Cl.NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(I)ccc1-2,1
NC(=O)c1[nH]cnc1N=NN(CCCl)CCCl,0
OCCN1CCN(CCO)CC1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1.CCS(=O)(=O)O,1
O=C1CNc2cccc3cccc(c23)NC1,0
Cc1sc(N)nc1O,0
CN(C)c1ccc(C(=NN)c2ccc(N(C)C)cc2)cc1,1
c1ccc(Sc2ccccc2)cc1,0
CN(C)CCC(C=Cc1ccccc1)=NNc1ccc(Cl)c(Cl)c1.Cl,1
C#CC(CC(C)CC(C)(C)C)N(C)C,0
OCC(O)CO,0
CC(=NNc1nc2ccccc2s1)c1cnccn1,1
O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1.[Na+],0
CCN1CC(C)(C)N(C(=O)c2ccccc2)CC1(C)C,0
O=[N+]([O-])c1ccc(Cl)nc1,0
CC(=O)c1cccc(Nc2c3ccccc3nc3occc23)c1,1
Cc1cc(-c2ccccc2)[nH]c(=O)n1,0
CC(=O)NCCCN1c2ccncc2Sc2ccncc21,0
Cc1ccccc1NC(N)=S,0
CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCC(=O)N(C)C,0
O=C(/C=C/c1ccco1)N1CCOCC1,0
N#CC(C#N)=C/C=C(\Sc1nc2ccccc2s1)c1ccc(Cl)cc1,1
S=c1[nH]c(=S)c2c(-c3ccccc3)c(-c3ccccc3)oc2[nH]1,0
CC(=O)Nc1nc(Cl)c([N+](=O)[O-])c(SCc2ccccc2)n1,0
COc1ccc(NC2Oc3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C2C)OCO4)cc1,1
COc1ccc(N)cc1N.Cl,0
CCN(CC)Cc1c(O)ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12,0
O=C(CCCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1S(=O)(=O)F,0
O=S(=O)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1,0
CN(C)Cc1cc(C(C)(C)CC(C)(C)C)ccc1O,0
O=C(NCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,1
C#CCN(C)Cc1ccccc1.Cl,0
CCCCCCCCCCCCCC(=O)O[C@@H](/C=C/C(C)C)[C@H](O)[C@H](O)C(OC)C(=O)NC1CCCCN(C)C1=O,1
C=CCC1(Cc2ccsc2)C(=O)NC(=O)NC1=O,0
CN1CCC(=O)c2ccccc21,0
Cc1cc([N+](=O)[O-])cc(C)[n+]1[O-],0
O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1n[nH]c(=O)c2ccccc12,1
CCCCCCC[C@@]1(C)NC(=O)NC1=O,0
CCc1c(O)c(O)c(C(C)=O)c2c(O)c(-c3c(C)cc4c(CC)c(O)c(O)c(C(C)=O)c4c3O)c(C)cc12,1
O=C(O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1,0
O=P1(N(CCCl)CCCl)Nc2ccccc2N1,0
CCN1C(=O)C(=Cc2ccc(OC)cc2)SC1=S,0
COC(=O)C(=NNc1ccccc1)C(C)=O,0
Nc1ncnc2c1ncn2C1OC(CO)C2OC21,0
CCCCOC(=O)c1cccc(C(=O)OCCCC)c1,0
O=c1[nH]c(=O)n(CCCc2ccccc2)cc1-c1ccccc1,0
COc1cccc(-c2cc(=O)c3cc(C)cnc3[nH]2)c1,1
CN(C)c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,1
O=C(CN(/C=C/C(=O)C(F)(F)F)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1,1
CN(C)CCO[C@]1(CC2CCCCC2)CC[C@@H](C(C)(C)C)CC1.O=C(O)/C=C/C(=O)O,1
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cc3ccccc3o2)nc1SCC(=O)c1ccccc1,0
CCC(=NNC(N)=O)c1ccccc1,0
CCN(CC)c1ccc(N)cc1Cl.Cl,0
CC(C)S[C@H]1SCC2C(=O)N(C)[C@@]3(C[C@H]3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)[C@@]1(C[C@H]1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C,1
Cc1ccc(C(=O)c2[nH]c(Nc3ccc(Cl)cc3)c(C(=S)Nc3ccccc3)c2N)cc1,1
O=C(O)CCn1c(=O)[nH]c(=O)n(CCC(=O)O)c1=O,0
Cc1cccc(C=NNC(=S)Nc2ccc(Cl)cc2)n1,1
CCCOc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OCCC,1
COC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1,1
N#Cc1cccc(F)c1,0
O=C(Nc1ccn(CCOC(=O)c2ccccc2)c(=O)n1)c1ccccc1,0
C/C(=N\NC(=O)CSCC(=O)N/N=C(\C)c1ccccc1)c1ccccc1,0
c1cncc(-c2nc3ccccc3s2)c1,0
Cc1ccc(NCCN(C)C)c2c(=O)c3ccccc3sc12.Cl,1
CN(C)Cc1ccccn1,0
CCCCCCOS(=O)(=O)c1ccc(C)cc1,0
Cc1cc(C)c(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c(C)c1,1
COc1ccc([Se][Se]c2ccc(OC)cc2OC)c(OC)c1,1
O=CNC1(c2ccccc2)CCCCC1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3cccc(C(C)=O)c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
C/C(=N\NC(N)=S)c1ccc(Oc2ccccc2)cc1,1
C=CCOC[C@@H](O)CN(CCCC)CCCC,0
CCOC(=O)C(N)Cc1cc(I)c(O)c(I)c1,0
O=C(O)c1ccc(N=C2c3ccccc3-c3ccccc32)cc1,0
CC(=O)N=C1C(=O)c2ccccc2C(=O)C1Sc1ccc(Cl)cc1,1
CC(C)N1[C@@H]2CCCC[C@H]2N(C(C)C)P1(=O)C(=O)/C=C/c1ccccc1,1
COc1cc(C(=O)C(=O)c2ccc(OC)c(OC)c2)ccc1O,0
N#CCCNCCNCCC#N,0
CCCCCCNc1nc(NCCCCCC)c2[nH]c(NCCCCCC)nc2n1,1
O=[N+]([O-])c1cccnc1C1OCCO1,0
CCOC(=O)CCC(=O)c1c2cccc(O)c2c(O)c2c(O)cccc12,1
COc1cc([C@H]2NC(=O)C(C#N)C(=Nc3cccc(C)c3)S2)ccc1O,0
CN1NCc2cncnc21,0
CC(=O)OCC(C)Cc1ccc(C(C)(C)C)cc1,0
NC1c2ccccc2Nc2ccccc21,1
CC1CCCc2c1nc(N)c(C#N)c2-c1ccc(Cl)cc1,0
O=C1N[C@@H](c2ccccc2)Nc2ccccc21,1
COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccc(Cl)cc3S2)cc1,1
Cc1ccc(N2CCN(C(C)C(N)=O)CC2)cc1,0
O=C1NC(=S)SC1=Cc1cccnc1,0
O=C1NC(CCCl)C(=O)NC1CCCl,0
CC[C@H](C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,1
CCOP(=O)(OCC)C(C#N)OC(C)(C)C,0
CO[C@H](c1ccc(O)cc1)C1NC(=O)C(CCC(N)=O)N(C)C(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C([C@H](C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)[C@H](O)[C@H](CCCNC(=N)N)NC(=O)C(C)NC(=O)C(C)[C@H](O)[C@@H](C)CC(C)C)[C@@H](C)C(C)C(N)=O)[C@@H](C)OC(=O)C(C)N(C)C1=O,1
C1CCC([Sn+2]C2CCCCC2)CC1.[O-2],1
c1cc(-c2nsc(-c3ccncc3)n2)ccn1,0
O=C(CCCCC(=O)OC[C@@H]1COCO1)OC[C@@H]1COCO1,0
CCCC1OCC(Cl)(Cl)C(c2ccccc2)O1,0
O=[N+]([O-])c1ccc(NN=Cc2ccc3c(c2)OCO3)nc1,0
CCCCSc1ncnc2c1ncn2[C@@H]1CCCCO1,0
COC(=O)C1C2CC3C(OC(=O)C31C)C2I,0
Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1,0
NC(=S)N=Nc1c(O)cc(O)c2[nH]c(=O)ccc12,0
COC(=O)C(CCC#N)(CCC#N)C(C)=O,0
COc1ccc2nc(NC(=O)c3cccnc3Nc3ccc(S(N)(=O)=O)cc3)sc2c1,0
C=c1cc(C)[nH]c2cccc3cccc([nH]1)c32,0
CC1=CC(C)CC(=O)O1,0
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NN=Cc1c[nH]c2ccccc12,1
COC1=CC(=O)c2c(c(-c3nc(C)cs3)cn2C)C1=O,1
CCOC(=O)Nc1ccc(NC(=O)OCC)cc1,0
O=CNC(=O)C=CC(=O)O,0
O=C(N=C1C(=O)c2ccccc2C(=O)C1Cl)c1ccc(F)cc1,1
CC([O-])C[O-].CCCC[Sn+2]CCCC,1
CCN(CC)CCOC(=O)CCC(C)=O,0
Nc1c(-c2nc3ccccc3s2)c(O)cn1-c1cccc(C(=O)O)c1,0
COc1ccc(C=O)c([N+](=O)[O-])c1O,0
CC(=O)CC(=O)Nc1cccc(Br)c1,0
Nc1nn(C(=O)c2cccnc2)cc1-c1ccc(Cl)cc1,0
CC1CCC2CON(C(C)(C)C)C2C1,0
CCOC(=O)C(Cc1ccccc1)N=C(CCCO)C(C#N)c1nc(=O)c2cc(C)ccc2[nH]1,0
O=C(Oc1ccccc1)C(Br)C(Br)c1ccccc1,1
CCOC(=O)[C@@]12CC=C[C@@H](CCC1)/C2=N\Nc1ccccc1,0
Nc1cc(Cc2ccccc2)ccc1O.O=C(O)C(=O)O,0
Cc1cccc2cccnc12,0
CC(C)(C)OOC(=O)C=CC(=O)OOC(C)(C)C,0
O=c1[nH]c(-c2ccccc2)ncc1OCc1ccccc1,0
CCN(CC)CCNc1ccc2ncn3c4cc(=O)ccc4c(O)c1c23.Cl,1
CC1(C)NC(=O)N(Br)C1=O,0
C=C(CN1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1.Cl,1
O=C1CC[C@H](c2ccc3ccccc3c2)O1,0
NC(=O)CSSCC(N)=O,0
CCOC(=O)c1c(N2CCCC2)[nH]c(=O)c(C=Nc2ccc(OC)cc2)c1O,0
CCOC(=O)C(=Cc1ccccc1Br)C(=O)OCC,1
C(=N/OCCc1ccccc1)\c1ccncc1,0
CC(=CC(C)(C)C)C(=O)C(C)(C)C,0
ClCCN(CCCl)CCc1ccccc1,0
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1,0
NC(=S)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccccc1,1
Brc1ncnc2[nH]cnc12,0
OCc1nc2cc(Cl)ccc2[nH]1,0
CCOC(=O)C(C)Br,0
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\C(=O)O,0
Cc1ccc2c(c1)-c1cc(C)ccc1C2=O,0
O=S(=O)(Oc1ccccc1)c1ccc(Cl)c(Cl)c1,0
CCCCC[C@@H]1CCCCN1C(=O)OCC(C)C,0
Cl.O=C1C(Cl)=C(N2CCNCC2)C(=O)c2c(O)ccc(O)c21,1
CC(C)N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)C,0
CC(=O)Nc1cc2c(cc1Cl)-c1ccccc1[C@@H]2O,0
O=C(O)C1CCCN1C(=O)c1cccc(Cl)c1,0
O=C(c1ccc(Cl)cc1Cl)N1CCOCC1,0
CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1[C@H]2O,1
O=C(CNc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,1
N#CC(=Cc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)c1ccccc1,1
CCOC(=O)C1CCC(=O)C1,0
CC(=O)Oc1ccccc1C(=O)C=Cc1cccc([N+](=O)[O-])c1,1
CCOC=C(C(=O)OCC)C(=O)OCC,0
Cc1ccc2cc(CCCC(=O)O)ccc2c1,0
OC[C@H]1O[C@H](n2cnc3c(Cl)nc(Nc4ccc(Cl)c(Cl)c4)nc32)C[C@@H]1O,1
Cc1[nH]n(C(=S)Nc2nc3cc(Cl)c(F)cc3s2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccncn2)cc1,0
COc1ccc(C=C2C(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C(=NC(C)=O)N2C)cc1OC,0
CC(C)CCOC(c1ccc2c(c1)OCO2)C(C)Br,0
COc1ccc(NC(C)=O)cc1[N+](=O)[O-],0
CCC(=O)C1(c2cccc(OC)c2)CCN(C)CC1,0
CC(C)c1ccc(C=NNC(N)=S)cc1,1
O=c1cc(-c2ccccc2F)[nH]c2cc3c(cc12)OCO3,1
COc1nc(C#CC2CCCCC2)nc(OC)n1,1
O=C1c2ccccc2C(=O)C1C(=O)C1CC1,0
CCCC(=O)c1ccc(C)o1,0
O=C/C(Br)=C\c1ccccc1,0
CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,0
Cl[As]1c2ccc(-c3ccccc3)cc2Nc2ccc3ccccc3c21,1
O=C1OC(c2ccccc2)=NC1=Cc1ccccc1Cl,0
NC(=O)NC(=O)c1ccccc1,0
CC(=O)Nc1nnc([N+](=O)[O-])s1,0
O=[N+]([O-])C=Cc1cn(CCCCCn2cc(C=C[N+](=O)[O-])c3ccccc32)c2ccccc12,1
CCN(CC)CC.O=C(Nc1ccc(Cl)cc1)[P@@](=O)(O)c1ccccc1,0
O=C1NC(=O)C2(CCCCC2C2CCCCC2)N1,0
NN=C(c1ccccc1)c1ccc(Cl)cc1,0
Nc1ccccc1SC(C[N+](=O)[O-])c1ccc2c(c1)OCO2,1
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(OC(=O)CCC(=O)O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(OC(C)=O)CO[C@H]4C[C@H](OC(=O)CCC(=O)O)[C@@]3(C)C1=O)C2(C)C.[Na+],1
Cl.N=C(N)NN=Cc1nccc2ccccc12,0
CN(C)CCC(CCN(C)C)(C(=O)O)c1ccccc1,0
Oc1ccccc1C=NNC(=S)NN=Cc1ccccc1O,1
Cc1ccc(N2CCN(CSc3ccccc3)CC2)cc1,0
N#CC(C#N)/N=N/c1ccc(-c2nc3ccccc3s2)cc1,1
Clc1nc(Cl)c(Cl)c(-c2ccccc2)n1,1
CCCCCCCCc1cc(Cl)c(O)c(Cl)c1,0
COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1,1
O=c1[nH][nH]c(-c2ccccc2)c1Cc1ccccc1,0
CC(Cc1ccccc1)N(C)C,0
N#CC(C(N)=O)c1ccccc1,0
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,1
COc1ccc(N)c([N+](=O)[O-])c1,0
CCCNc1cc(=S)[nH]c(N)n1,0
S=c1oc(-c2cc(Cl)cc(Cl)c2Cl)nn1CNc1cccc(Cl)c1Cl,0
O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCCCC1,0
O=P(Nc1ccccc1)(Nc1ccccc1)c1ccccc1,0
COc1ccc(CCNC(=S)NCCc2ccc(OC)c(OC)c2)cc1OC,0
Cc1ccc(S(=O)(=O)N2c3ccccc3C3CCC=CC32)cc1,1
CCC1(OC(=O)CCC(=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.[Na+],1
Cc1cccc(Cl)c1NC(=O)CS,0
CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1,1
CCCCCCCCCCCCCCCCSC[C@H](COC)CO[P@@](=O)([O-])OCC[N+](C)(C)C,1
O=C(Nc1ccc(Cl)cc1)N1CC1,0
Cc1cccc(C=NNC(=S)Nc2ccccc2)n1,1
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1.Cl,1
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1,1
CCCCOC(=O)CCC(Br)(Br)Br,0
CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
O=C(O)C1CC2CCC1CC2,0
CCOC(=O)C(C(C)=NCc1ccccc1)=C1CC(=O)C(=O)c2ccccc21,1
OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)OCC[C@H](O)CO)[C@@]3(C)C1=O)C2(C)C,1
CCN(CC)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
NC(=O)NN=Cc1ccco1,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc(OC)c1O,1
NCC1(O)CCCCC1,0
CCCC[C@H](CC)CO[C@H]1CCS(=O)(=O)C1,0
NC(=O)C(Br)CBr,1
CN(C)C[C@H]1CCCC[C@H]1O.Cl,0
CC(=O)Nc1cccc(C2=Nc3ncnn3[C@H](c3ccc(C)cc3)C2)c1,0
COC1=C(Nc2ccccc2C)C(=O)C(OC)=C(Nc2ccccc2C)C1=O,0
CCCC(O)c1ccccc1C,0
Cc1cc(C(C)(C)C)cc(CNC(C)(C)C)c1O,0
Nc1nc(N)c2[nH]c(=S)[nH]c2n1,0
Cc1c(-c2ccccc2)nc2c3ccccc3ncn2c1=O,0
NC(CCl)CCl,0
NNc1c2ccccc2nc2ccccc12,1
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3cccc(O)c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C1c2cccnc2C(=O)c2c1nc1ccccc1c2-c1ccc2c3c(nc4ccccc42)C(=O)c2cccnc2-c13,1
Nc1ncnc2c1ncn2C1OC(COS(N)(=O)=O)C(O)C1O,1
C[C@@H]1CC[C@@H]([C@@H](C)CS)C[C@@H]1S,0
CCOC(=O)CC(C)=Nc1ccc(NC(C)=O)cc1,0
CCOC(=O)C(=Cc1ccnc2ccccc12)P(=O)(OCC)OCC,1
CS(=O)(=O)c1ccc2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc([N+](=O)[O-])ccc12,1
CCC1CN(c2ccccc2)CCN1,0
COc1ccc(-n2c(O)cc(Nc3cc(C)ccc3C)c2O)c([N+](=O)[O-])c1,0
Nc1nc2ccccc2s1,0
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1NC(=O)CCCCCCCCCCCCCCCCC,0
CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4C(C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1.O=CO,1
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,0
CC(C)(C)C[C@@]1(C)NC(=O)NC1=O,0
N#C[C@H](NNC(=O)Cc1ccccc1)c1c(O)ccc2ccccc12,1
S=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2)CC1,0
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,1
CC(=O)NCCSC(=O)CCCCC(=O)SCCNC(C)=O,0
NC(=O)CNc1cccc(Br)c1,0
CCN(CC)CCCNc1nc2ccccc2c2[nH]c3ccc(OC)cc3c12.Cl,1
Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NNC(=O)Nc1ccccc1,0
OC(O)=c1ccc(=C(O)O)c2ccccc12,0
O=C(O)C(F)(F)F.Oc1c2c(c3c4c1N=CC=4CCN=3)C1(C=C(Br)C(O)C(Br)=C1)CCN2,1
N#CC(=Cc1ccc([N+](=O)[O-])o1)c1n[nH]c(Cc2ccccc2)n1,1
Cc1ccc(S(=O)(=O)Nc2ccc3ncccc3c2[N+](=O)[O-])cc1,0
CC(=O)Nc1ccc(C(=O)NN=Cc2ccc(O)cc2)cc1,0
COc1ccc(C)cc1NC(=O)CC(C)=O,0
CCNC=C(O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
CC#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F,1
Clc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1,1
O=[N+]([O-])c1cc2c(ccc3occc32)o1,1
Cc1ccc(N2CCOC2=O)cc1N1CCOC1=O,0
N#CC(=Cc1ccc(O)c(O)c1)c1c(C#N)c(N)nn1-c1ccccc1,1
Cc1cc2[nH]c(Cl)c(C=C3C(=O)Nc4ccccc43)c2cc1O,1
O=C(NC(CSC(=O)c1ccccc1)C(=O)O)OCc1ccccc1,0
CCOc1ccc(NC(=O)C2CCCN(C)C2)cc1,0
CCC(CO)NC(=O)C=Cc1cccc(Br)c1,0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc(C)ccc4[nH]3)CC2)cc1,0
C[C@@](O)(c1cccs1)C(C(=O)O)c1ccccc1,0
C[C@@H](Nc1ccccc1)c1cccs1,0
CCOC(=O)C(C(=O)OCC)C1=N[C@@]2(c3ccccc3Nc3ccc(C)cc32)[C@H](C#N)S1,1
Cl.c1ccc2cc(SCCCN3CCOCC3)ccc2c1,0
COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl,1
O=C1C(Cl)C(=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]12Cl,0
CC(=O)NS(=O)(=O)c1ccc(OCCOc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1,0
Cc1cccc(C(=O)C(=O)c2cccc(C)c2C)c1C,0
CCC1(CC)CNC(=O)NC1=O,0
N#CC1(Nc2ccc(C(=O)O)cc2)CCCC1,0
CCCCCCCCCCCC1=NC(C)(C)CN1CC(C)O,1
O=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1,1
NC(=O)CNc1ccc([As]=[As]c2ccc(NCC(N)=O)cc2)cc1,1
O=C1C(=Nc2cccc(C(F)(F)F)c2)C(Cl)C(=O)N1Cc1ccccc1Cl,1
CCOC(=O)N1CCc2c(c(C)c(C)c3c(O)c4ccccc4c(O)c23)C1,1
O=C(NCCO)c1ccc(O)cc1O,0
NS(=O)(=O)c1ccc(-n2c(O)ccc2O)cc1,0
Nc1nc(Cl)c(N)c(N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)n1,1
COc1ccc(C[C@H]2O[C@H](C)CC(C)(C)O2)cc1,0
COc1ccccc1NC(=S)NN=C(C)c1ccccn1,1
NCCNCc1ccncc1,0
O=C(O)/C=C/C(=O)Nc1cccc2cccnc12,0
c1ccc(C(=C2CCCO2)c2ccccc2)cc1,0
O=[N+]([O-])c1ccc(N2CCOCC2)c2c1no[n+]2[O-],1
CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],1
Cn1c(=O)[nH]c(N)c(Br)c1=O,0
O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O,1
CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)csc1NC(=O)c1ccccc1,0
CN(C)c1nc(N(C)C)c2cnn(C)c2n1,0
CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1.[I-],1
COc1cc([C@@H]2C=C(c3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
O=C1CC[C@@]2(O1)C(=O)O[C@@H](CI)[C@H]2c1ccccc1,0
CC(C)COP(=O)(OCC(C)C)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F,1
COc1ccc(/C=C2\CCCC(CN(C)C)C2=O)cc1.Cl,1
Cc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,1
Oc1ccc(Nc2ccc3ccccc3c2)cc1,1
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,1
O=P(c1ccccc1)(c1ccccc1)C(O)c1cccs1,0
CC(=NNC(=S)N1CCC1)c1ccccn1,1
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(Br)cc3)SS2)=C2C=C(c3ccc(Br)cc3)SS2)c(Cl)c1Cl,1
COC(=O)c1cc(C)c(C)cc1NC1OC(CO)C(O)C1O,0
O=C(O)C(C=Cc1ccco1)=NNc1nc(-c2ccc(Cl)cc2)cs1,1
CCCc1cccc(-c2ccccc2)c1O,0
CCCCCN(CCCCC)CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C,0
CO/C(=N\c1ccccc1)SSC(C)C,0
Cc1ccc(S(=O)(=O)NN=C2C3CC4C(C3)C24)cc1,0
NC(=O)c1nnsc1-c1ccc(-c2snnc2C(N)=O)cc1,0
CCCCCCCCCCCCCCCCCC1=NCCN1C(=O)OCCO,1
Oc1c(I)cc(Cl)c2cccnc12,1
Cc1ccc(C2=C(c3ccccc3)[C@@H](c3ccccc3)Oc3ccc(C)cc32)cc1,1
CC(C)[C@]1(O)[C@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]41C,0
O=C(Nc1ccccc1Cl)OCC#CCOC(=O)Nc1ccccc1Cl,0
CN(C)C1CCCCC=CC(=O)NC1,0
CN(C)CC1CCCCC1=O.Cl,0
CC(=O)c1ccc(CCCCc2ccc(C(C)=O)cc2)cc1,0
c1ccc(C2=NCCCO2)cc1,0
O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1,0
O=[N+]([O-])C(=C(N1CCCCC1)N1CCCCC1)/C(Cl)=C(\Cl)[N+](=O)[O-],1
c1ccc(CN2CCOCC2)nc1,0
c1ccc2c(Cc3[nH]c4ccccc4c3Cc3c[nH]c4ccccc34)c[nH]c2c1,1
COc1cccc(/C=C/C(C)=O)c1OC,0
COc1ccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)cc1,1
COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,0
N#Cc1c(N2CCCCC2)nc2sc3cc(Cl)ccc3n2c1=N,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC,1
COc1cc2c(cc1Oc1ccc(OC)c3c1CC1c4c(cc(OC)c(OC)c4-3)CCN1C)CC1c3c(cc(OC)c(OC)c3-2)CCN1C,1
COC(=NN=Cc1cccc(C(F)(F)F)c1)c1ccncc1,1
CC[C@]1([N+](=O)[O-])CO[P@@](N)(=O)OC1,0
C=CCCC1(CC)C(=O)NC(=S)NC1=O,0
CC(C)N1CC[C@H]1CO,0
CN1CCN(CC2C3CCC(C3)C2O)CC1,0
O=C(Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1,0
CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2c(O)ccc3ccccc23)cc1,0
COC(=O)c1cc(C)c(C)cc1N[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,0
CN1C2C(=O)C=C[C@@H]1c1c2c(O)n(-c2ccccc2)c1O,1
CN1[C@@H](OCc2ccccc2)c2c(ccc3c2OCO3)[C@H]2C=Cc3cc4c(cc3[C@@H]21)OCO4,1
Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C,0
O=c1[nH]c(=S)[nH]cc1Oc1ccc(Br)cc1,0
O=C1N[C@@H](c2ccccc2)N=C2Oc3ccccc3C=C12,1
CN(C)c1ccc2nc3ccc(=O)cc-3sc2c1,1
C#CCn1c(=O)ccn(/C(=C/C(=O)OCC)C(=O)OCC)c1=O,1
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OCc4ccccc4)cc3N)CC2)c(N)cc1OCc1ccccc1,0
O=[N+]([O-])c1ccc2nc3c(nc2c1)-c1c2ccccc2cc2cccc-3c12,1
CC1(C)C=Cc2c(cc(O)c3c(=O)c4cc(Cl)ccc4[nH]c23)O1,1
COCn1ccnc1C(=O)c1ccco1,0
Cl.N=C(N)N/N=C(/c1ccccc1)c1ccc(F)cc1,1
O=CC(=C(Br)I)c1ccccc1,1
Cc1ccc(C(=O)NC2C(=O)NC(Cc3ccccc3)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(Cc4ccccc4)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)c1=N2,1
CCOC(=O)c1ccc(N[C@@H]2c3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)C3C(=O)OC[C@@H]32)OCO4)cc1,1
CCCc1cc(=O)n2c(C(=O)Nc3c(F)cccc3F)c(C(=O)Nc3ccc(C(=O)OC)cc3)sc2n1,0
O=C(CC(C[N+](=O)[O-])c1ccccc1)c1ccccc1,0
CCN(CC)CCO/N=C1/C=C2CC[C@H]3[C@@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)CC1,1
N#CSC=CSC#N,0
Nc1ccc(S(=O)(=O)c2ccc(N)nc2)cc1,0
O=c1cc(-c2ccccc2)[nH]c(-c2ccccc2)c1,0
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,1
CC(=O)c1ccncc1,0
CCCN(CCC)C(=S)NN=Cc1ccccn1,1
CC(=O)NCCCOc1ccc([N+](=O)[O-])cc1Cl,0
ON=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl,1
COc1cc(OC)cc(C(=O)N=C2C(=O)c3ccccc3C(=O)C2Cl)c1,1
COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1,1
Cc1c2cc[n+]([O-])cc2c(C)c2c1[nH]c1ccccc12,1
CCOCC(=O)N[C@H]1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
O=C(c1ccccc1)c1ccc(N2CCOCC2)cc1,0
CC(C)=NNc1nc(O)c(-c2ccccc2)s1,0
CCOC(=O)C(CCC1OCCO1)C(C)=O,0
CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(-c4ccccc4)cc3)nc12.Cl,1
CC(=O)Oc1ccc(C)cc1,0
NC(=O)C1(c2ccccc2)OC(=O)c2ccccc21,0
O=C(/C=C/c1ccco1)c1ccccc1O,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=NC[C@@H]3CCCN4CCCC[C@H]34)c2cc1-c1cc2c(C=NC[C@@H]3CCCN4CCCC[C@H]34)c(O)c(O)c(C(C)C)c2cc1C,1
O[C@H](CCN1CC[C@H]2CC[C@H](C2)C1)c1ccc(Br)cc1,0
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)[C@]2(O)C=CC(=O)C3C(=O)c4ccccc4C(=O)[C@]132,1
C=CC(=O)OCCOCc1ccccc1,0
O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1,0
Cc1ccccc1[C@H]1OC(=O)c2ccc3ccccc3c21,1
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)NCN1CCOCC1,0
NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O.O.O,0
CCCCCCCCCCCCCCCCNc1ccc2c(c1)OCCOCCOCCOCCO2,1
CCC(c1ccccc1)C(CC)c1cc(O)c(O)c(O)c1,0
CS(=O)(=O)O.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,1
O=C(O)C(=Cc1cccc(Cl)c1)c1ccc(Cl)cc1,0
O=C(Nc1csnn1)OCc1ccccc1,0
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)C(C(C)=O)[C@H](C4CCCC4=O)C[C@@H]32)C1,0
Cc1c2c[nH]ccc2c(C)c2c1nc1ccc(O)cc12,1
CN(C)CCOc1cccc(OCCN(C)C)n1,0
CC1([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC6(CC[C@]5(C)C4C(=O)C[C@]23C)OCCO6)OCCO1,0
COc1ccc2[nH]c(=O)c3c4ccccc4cn3c2c1,1
COc1ccc(-n2c(O)c3c(c2O)[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2c2c-3[nH]c3c(C)cccc23)cc1,1
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1,0
O=C1c2ccccc2CCC1(Br)Br,1
CCOc1cc2c(cc1O)C=CC1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
COc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)cc2)cc1,0
Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1cccnc1,1
O=C1c2ccccc2C(=O)N1N=Cc1cc(Cl)cc(Cl)c1O,0
NC(=O)SCC(=O)Nc1cccc(O)c1,0
OCCN1CCN(CCO)C1=S,0
O=C(CC1Sc2ccccc2NC1=O)NNc1ccc(Cl)c(Cl)c1,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2,1
CN1CCN(c2ccc3[nH]c(-c4ccc(OCCCN5C(=O)c6cccc7cccc(c67)C5=O)cc4)nc3c2)CC1,1
O=S1(=O)C(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)S(=O)(=O)C1(Cl)Cl,0
Cn1c(=O)c([N+](=O)[O-])c(N=[N+]=[N-])c2ccccc21,1
O=C(CCl)c1ccc([N+](=O)[O-])o1,1
C=C[C@](C)(O)CC/C=C(\CO)C(=O)OC[C@H]1O[C@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@H]7O[C@H](C)[C@H](O)[C@H](O)[C@@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@H](O)[C@@H]6NC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,0
COc1cc(OC)cc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
C=C(C)[C@@]12C[C@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C(OC(C)=O)C(=O)[C@@]1(C)[C@H]([C@H]2OC(=O)c2cc(F)cc(F)c2)[C@]2(OC(C)=O)CO[C@@H]2C[C@@H]1O,1
COc1cc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)cc(OC)c1OC,1
CC(=O)Nc1ccc(C(=O)O)cc1.CN(C)CCO,0
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@@H](CO)[C@@H](O)[C@H]7O)[C@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,1
CC(C)(CO)NC(=O)c1ccc(C(C)(C)C)cc1,0
CCC1CN1P(=S)(N1CC1CC)N1CC1CC,0
CC(Cl)=CCN(CC=C(C)Cl)CCO,0
COc1ccc(OC)c(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)c1,1
Cc1ccc(C)c(OCC(=O)O)c1,0
Sc1cccc2c(S)cccc12,0
CCOC(OCC)c1ccccc1,0
Cc1sc2[nH]c(COC(=O)c3cc(=O)c4ccccc4o3)nc(=O)c2c1C,0
CCN(CC)CCCNc1ccc([N+](=O)[O-])c2nc3ccc(OC)cc3c(N)c12,1
O=[N+]([O-])c1cc(C(F)(F)F)cc2n[se]nc12,1
COc1cc(C=C[N+](=O)[O-])ccc1O,1
Nc1ncnc(N)c1NC(=O)c1ccc(OCc2ccccc2)cc1,0
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccs1,0
N#CC1(N)c2ccccc2-c2ccccc21,0
Cc1ccc(S(=O)(=O)N=c2ssc(Nc3ccccc3)c2Cl)cc1,1
N#Cc1c(-c2ccccc2)[nH]c(SCC(=O)Nc2ccc(Cl)cc2)nc1=O,0
N#CC1C(=N)Oc2c(ccc3cccnc23)C1c1ccccc1,1
CN1NC(=O)C[C@H]1c1ccccc1,0
COc1ccc(-c2ncn(C[Si](C)(C)C)c2-c2ccc(OC)cc2)cc1,1
Cc1c2cc[n+](C)cc2c(C)c2c3c([nH]c12)=CCC(=O)C=3OCC(F)(F)F.[I-],1
Nc1c(-c2cccc3ccccc23)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1nc2ccccc2s1,1
CCCCNC(=O)c1ccc(OCC)cc1,0
CC1C(=O)c2ccccc2CC1C(=O)O,0
Cl.O=C(O)N1CCc2c(sc3ccccc23)C1,0
CCOc1ccc(NC(N)=S)cc1,0
OC1CCN(Cc2ccccc2)CC1,0
Oc1ccc(O)n1C[C@@H]1C[C@H]2CC[C@@H]1C2,0
CN=C(O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O,0
S=C(c1ccccc1)N1CCOCC1,0
CN(C)CCc1ccc(OC(=O)c2ccc(N)cc2)cc1.Cl,0
CC1CNC(=S)N(c2ccccc2)C1=O,0
CC(C)/C(Cl)=N/OC(=O)Nc1ccc(F)cc1,1
CCOC(=O)C(COS(C)(=O)=O)(COS(C)(=O)=O)C(=O)OCC,0
CN1C(=O)NC2(CCCC2)C1=O,0
O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21,1
COc1cccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)c1OC,1
Nc1cc(=O)n(Cc2ccccc2)c(N)c1C(=O)NCc1ccccc1,0
NC(Cc1cnc2ccccc2c1)C(=O)O,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@H]1C[C@H](N)C[C@@H](C)O1)C3=O.Cl,1
CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.O=C([O-])c1cc(F)ccc1F.O=C([O-])c1cc(F)ccc1F.[O-2],1
COc1cc2c(cc1O)C(C)Cc1cc3c(cc1N(C)CC2)OCO3,1
Nc1c(-c2nc(-c3ccc(F)cc3)cs2)c(O)cn1-c1ccc2c(c1)OCO2,0
Cc1cn(C2CCCCC2)c(=O)n(-c2ccccc2)c1=O,0
CCC(CC)SC(CC)CC,0
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)O,0
O=[N+]([O-])c1ccccc1NC1c2ccccc2Oc2ccccc21,1
Cc1c2cc[nH]c(-c3ccccc3)c2cc2c1nc1ccccc12,1
O=C(O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)O,0
O=C1C=CC(=O)N1c1cccc2c(N3C(=O)C=CC3=O)cccc12,0
CCNS(=O)(=O)c1ccc(OCCOc2ccc(S(=O)(=O)NCC)cc2)cc1,0
C=Cc1ccccc1C1(O)C=CC(OC)(OC)C=C1,1
N=C(N1CCCc2ccccc21)N1CCCc2ccccc21,0
CC(=Cc1ccc(Cl)c(Cl)c1)[N+](=O)[O-],1
CC(=O)OCCO,0
Cn1ncc(C(=O)O)c1-n1cnc2ccc(Cl)cc2c1=O,0
CCOC(=O)C(C(C)=O)c1nc2sc3cc(Cl)c(Cl)cc3n2c(=O)c1C#N,0
CC(ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1,1
CCN(CC)CC(O)CNc1ccc(NCC(O)CCl)c2c1C(=O)c1ccccc1C2=O.Cl,1
Cc1cccc(N(CCO)CCO)c1,0
CC(N)CCc1ccc2c(c1)OCO2,0
O=C(Nc1ccc(Cl)cc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,1
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,1
Cc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)C=CC4=O,1
C[As](C)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O,1
Cc1cc(=O)[nH]c(N)n1,0
C=C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,0
O=C(CNC(=O)OCc1ccccc1)NC1(C(=O)O)CCCC1,0
Nc1c(S)[nH]c(=O)[nH]c1=O,0
NCCCN1CCCC1=O,0
CN(C)CCNc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12,1
C=C1CC[C@@H]2[C@@]3(C)CO[C@H](c4ccc(NC(C)=O)cc4)O[C@@H]3CC[C@@]2(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O,1
CSc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12.Cl,1
CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1,1
C[C@@]12CC[C@@H]3[C@H](CC=C4C(Oc5ccccc5)C(=O)CC[C@]43C)[C@H]1CCC2=O,0
CN(C)CCNc1ccc2nnn3c4ccc(Cl)cc4c(=O)c1c23,1
C[C@H]1O[C@@H](O[C@@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC(C(=O)O)[C@H](O)[C@@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O,1
O=C(O)Cc1ccc(C2CCCCC2)cc1,0
CC(O)(c1cccs1)C(C(=O)O)c1ccccc1,0
CC(C)COC(=O)c1ccccc1O,0
COc1ccc2c(c1)c(=O)c1c(NCCCN(C)C)ccc3ncn2c31.Cl,1
CC(C)C[C@H](NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1ccccn1)B(O)O,1
CC(=O)OCC(C)(COC(C)=O)[N+](=O)[O-],0
c1ccn(CCc2ccncc2)c1,0
COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC,0
CCCCOP(=O)(OCCCC)[C@@]1(C)CC(=O)CC(C)(C)C1,0
CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[Cl-],1
COC(=O)C1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)OC)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,1
CCCCN(CCCC)CCCCOC,0
O=C(O)c1ccc2cccnc2c1O,1
O=C(O)/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2c(cc1Br)OCO2,0
O=[N+]([O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,0
COc1ccc(C=C2CSCC(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC,1
CC(=O)c1ccc(CCCc2ccc(C(C)=O)cc2)cc1,0
CCc1sc(NS(=O)(=O)c2ccc(N)cc2)nc1O,0
CCCCCc1cc(=O)[nH]c(=S)[nH]1,0
CSc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1,1
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)CC34C)C2(C)C)C(O)C(O)C1O,1
CN(C)CCNC(=O)c1ccc(Cl)c2cc3ccccc3nc12.Cl,1
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc([N+](=O)[O-])c1,1
Cc1cc2nc3c(C#N)c(C)c(CCCl)c(Cl)n3c2cc1C,1
C=C1C[C@](OC)(C(O)C(=O)N[C@H]2OCO[C@H]3[C@H]2O[C@H](C[C@H](O)COC)C(C)(C)[C@H]3OC)O[C@H](C)[C@@H]1C,1
CC1(C2CCOC2=O)OCCO1,0
C=C1C(=O)OC2CC(C)C3=CCC(=O)C3(C)C(OC(=O)CC(=O)OC3C4C(=C)C(=O)OC4CC(C)C4=CCC(=O)C43C)C12,1
CCCSc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1,0
CCCCCCCCCCCCCCCc1ccc(C(=O)C[n+]2ccccc2)cc1.[I-],1
O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,0
CCOc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1,0
CC(=O)Nc1cc2c(c([N+](=O)[O-])c1C)C(C)(C)CC2(C)C,0
O=C(NCCC(F)([N+](=O)[O-])[N+](=O)[O-])NCCC(F)([N+](=O)[O-])[N+](=O)[O-],1
S=c1[nH]cn[nH]1,0
CCOC(=O)C(CC)[C@@H](C)O,0
COc1cc(C)c([C@@H]2NC(=O)c3ccccc3N2)cc1C,1
C=CCOC(=O)C=CC(=O)OCC=C,0
N#Cc1c2c(c(Nc3ccc(F)cc3)n3c1nc1ccccc13)CCC2,1
CN1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1,1
Cc1cc(SC#N)cc(C)c1O,0
Cc1ccc2cccc(OC(=O)Nc3cccc(C(F)(F)F)c3)c2n1,1
O=C1C(=NCCN2CCOCC2)C(Cl)C(=O)c2c(O)ccc(O)c21,1
COc1cccc(-n2c(O)c3c(c2O)[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2c2c-3[nH]c3ccc(C)cc23)c1,1
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2[nH]cnc12,1
Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,1
CCCCCCCCCCCC(=O)OCc1ccccc1,0
CC1=CC(=Nc2ccc(N(CCCl)CCCl)cc2)C=C(C)C1=O,1
CC(C)(C)c1nc2c(o1)/C(=N\c1ccc(F)cc1)c1ccccc1C2=O,1
OCc1ccc2c(c1)C[C@]1(C2)Cc2cc3c(cc2[C@@H]1O)CCC3,1
NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,0
CC(C)CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
COC1=Nc2ccccc2S(=O)(=O)C=C1,1
N#CC(c1nc2ccccc2s1)c1ncccc1[N+](=O)[O-],1
CN(C)Cc1cc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc(CN(C)C)c1O.Cl,1
CC(=O)Nc1cccc(OCCCOc2cccc([N+](=O)[O-])c2)c1,0
C1CCC(N2CCOCC2)CC1,0
CN(CCC#N)c1ccc(C=C(C#N)c2cccc(C(F)(F)F)c2)cc1,1
O=c1c2ccccc2oc2ccccc12.Oc1cccc2cccnc12,1
CCN(CC)C(=S)NN=C(c1ccccc1)c1ccccn1,1
Nc1nc(=O)c2ncn(C3CCCC3)c2[nH]1,0
N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2c-4ccc3c2ccc2ccccc23)C1,1
CCCCN(CCCC)C(C)=O,0
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,0
COc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12,0
Cl.O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCNCCO,1
O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1O,0
CCN(CC)CCNc1ccccc1Cl.Cl,0
Fc1ccccc1[C@@H]1CC(C(c2ccccc2)c2ccccc2)=Nc2ccccc2S1,1
CN1C(=O)c2c(c3c4ccccc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c3c3[nH]c4ccccc4c23)C1=O,1
CC[C@@]1(O)C[C@H](O[C@@H]2C[C@@H](N(C)C)[C@@H](O[C@@H]3C[C@@H](O)[C@@H](O[C@@H]4CCC(=O)C(C)O4)[C@@H](C)O3)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC.Cl,1
CCCCCCOC(=O)N1CCCC[C@H]1CCCCC,0
O=C(CCCl)OCc1ccc([N+](=O)[O-])o1,0
C[C@@H](CC(=O)CO[C@@H]1C2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@H](O)[C@H]1O)OCO4)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,1
CCOC1=C(N2CC2)C(=O)C(OCC)=C(N2CC2)C1=O,0
C[C@@H]1CCCCC12C(=O)NC(=O)NC2=O,0
N#CC(NNC(=O)c1ccccc1O)c1ccccc1O,1
CNNC1=NS(=O)(=O)c2cnccc2N1c1cc(C)ccc1O,0
N#CCN1C(=O)c2ccccc2C1=O,0
O=C(C=CC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1F,0
O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](OC(C)=O)CC2,1
CCOC(=O)C1C(C)=NC(c2ccco2)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1,1
CCOc1cc2c(Cl)ncnc2c(OCC)c1OCC,1
CC(C)OC(=O)Nc1ccccc1,0
O=C(NC1CCCCC1)OCc1c(COC(=O)NC2CCCCC2)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2,1
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,0
N#CNc1nc2ccccc2[nH]1,0
C=CCc1cc(Cl)ccc1O,0
N#CC(C#N)=NNc1ccc(S(=O)(=O)O)cc1,0
CC1=CC[C@@H]2C[C@H]1C2(C)C,0
ClCCCCOC1CCCCO1,0
N#Cc1c(=O)c2cc([N+](=O)[O-])ccc2n2c1[nH]c1ccccc12,1
COc1cc(/C=C2\C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=NO)cc(OC)c1OC,1
COc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1,0
ON=C1C(Cl)C2CC1C1COCC21,0
O=[N+]([O-])c1cccc(Cl)c1O,0
NS(=O)(=O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1,0
CCCCSc1ccc(NC(=S)Nc2ccc(SCCCC)cc2)cc1,0
CCOCCOC(=O)Nc1ccc(C)c(NC(=O)OCCOCC)c1,0
CO[C@]12C[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]3(O)[C@@H]3CC=C4CC(=O)CC[C@@]4(CO1)[C@@H]32,0
CCOC(=O)CNC(=O)CCCn1c(=O)c2c3ccccc3n(C)c2n2nnc(-c3ccccc3)c12,1
CCOC(=O)c1ccccc1[N+](=O)[O-],0
CCOC(=O)C(C#N)=C1CCCCC1,0
CCC(=O)OCCCOCCCOc1ccccc1,0
CCOC(=O)N1C[C@@H](C)N(C[C@@H](O)CN2CCOCC2)C[C@H]1C,0
C=CCN(CC=C)c1nn[nH]n1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(CC(=O)Oc1cccc(C#N)c1)C2,1
Cc1cc2nc(C=C(C(F)(F)F)C(F)(F)F)sc2cc1C,1
NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,0
CNCCCNC1(c2cc3ccccc3s2)CCCCC1.O=C(O)/C=C/C(=O)O,1
CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)OC(C)(C(C)(C)C)N2,1
COCCc1ccncc1,0
CCOC(=O)Nc1cccc([As](=O)(O)O)c1,0
CC(=NN)c1ccc([N+](=O)[O-])cc1,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)-c3c(c(O)n(-c4ccccc4)c3O)C2C1,1
CCN(CC)C(=S)NN=Cc1ccccn1,1
COc1ccc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)cc1,0
CC(=O)OCc1cnc2c3c(nc4ccccc4c13)C(=O)c1cccnc1-2,1
CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,0
CC(C(=O)N1C(=O)N(C(=O)C(C)C(O)c2ccccc2)C(c2ccccc2)C1c1ccccc1)C(O)c1ccccc1,1
CC(CO)OCOCc1ccccc1,0
COc1cc(CC(CC(=O)c2ccc3c(c2)OCO3)C(=O)O)cc(OC)c1OC,0
CCOc1ccc(N=C2CC(=O)C(=O)c3ccccc32)cc1,1
CCOc1ccc2ccccc2c1C(=O)NC1C(=O)N2C(C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],0
C[C@@H]1O[C@H](O[C@@H]2C[C@](O)(C(=O)CBr)C=C3C(=O)c4c(c(O)c5ccccc5c4O)C(=O)C32)[C@H](F)[C@H](O)[C@@H]1O,1
CN(Cc1cc(Cl)cc(Cl)c1)CC(C(=O)c1ccccc1)c1ccccc1,1
c1cc2c3c(cccc3c1)NC1(CCCC1)N2,0
CC(=O)CC(=O)NC(C)(C)C,0
Nc1ccc(-c2cn3cc(Cl)sc3n2)cc1,0
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1.CCS(=O)(=O)O,1
COc1cc(/C=C2\C(=O)N(c3ccccc3)c3ccccc32)cc(OC)c1OC,1
CN(C)c1ccc(C=C(C#N)c2ccccc2)cc1,1
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2,0
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1,0
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=O)cc1,1
O=S(=O)(c1ccc(O)cc1)c1ccccc1O,0
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,1
O=C(O)C(CO)NC(=O)C1C(C(=O)O)[C@@H](c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1ccncc1,1
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccccc4[N+](=O)[O-])c3nc12.Cl,1
O=C1c2cccc(NCCNCCO)c2C(=O)c2cccc(NCCNCCO)c21,1
O=c1c(-c2ccccc2)c[nH]c2cc([N+](=O)[O-])c(C(Cl)=Cc3ccccc3)cc12,1
NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O,0
COc1cc(S(N)(=O)=O)c(OC)cc1N,0
CC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-],0
Cc1cccc(OC[C@@H](O)CN2CCN(c3cccc(C)c3)CC2)c1,0
CC12CCC(=O)CC1CCC1C2CCC2(C)C(OC(=O)N(CCCl)N=O)CCC12,1
CCN(CC)C(=O)C(c1ccccc1)S(=O)(=O)N1CCOCC1,0
CCN(CC)CCSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1,0
COC(=O)CN1c2nc(C#N)c(C#N)nc2N(CC(=O)OC)c2nc(C#N)c(C#N)nc21,1
C[C@@H]1[C@@H](C)N(C(=O)CCCl)c2ccccc2N1C(=O)CCCl,0
NC(=S)NN=C1C=CCCC1,0
CCOC(=O)C(=Cc1cccc(Cl)c1)C(=O)OCC,1
CC1CC(=O)C(O)C(OC2CC3CCC4C(CCC5(C)C(C6=CC(=O)OC6)CCC45O)C3(C=O)CC2O)O1,1
CC(=O)Nc1ccc(SC(Sc2ccc(NC(C)=O)cc2)c2ccccc2)cc1,0
O=C(CNCCCCCNCC(=O)OC1CCCCC1)OC1CCCCC1,0
Nc1ccncc1,0
CCCC[S@+]([O-])C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O,1
N#CC1C(=N)NC(=S)N[C@H]1c1ccc(-c2ccc(-c3nc4ccccc4o3)cc2)s1,1
CCCCOC(C)OCc1ccc2c(c1)OCO2,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccccc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C(O)c1ccc(OCCOc2ccccc2)cc1,0
CCCCCn1cnc2c(=S)[nH]c(N)nc21,0
CN(O)c1nc(N(C)O)nc(N2CCOCC2)n1,1
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCOC(=O)CCC(=O)O)c2cc1C.[Na+],0
COc1ccc(N=C2NN=C(c3ccccc3)CS2)cc1,0
CC(=O)Nc1cscc1NC(C)=O,0
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nccnn1,0
C[Sn+](C)C.O=C([O-])C(O)c1ccccc1,1
CCOC(=O)c1c2c(n(C)c1-c1ccccc1)C(=O)C(C)=CC2=O,1
CC(=O)NS(=O)(=O)c1ccc(OCCCOc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1,0
Nc1nc(N)nc(-c2ccc([N+](=O)[O-])o2)n1,0
CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(OC)c2)c1Br,1
CCCCSc1n[nH]c(=S)c2[nH]cnc12,0
C[C@]12CCC(=NO)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=NO)/C(=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]12,1
O=C1c2cccc3cccc(c23)C(=O)N1CCCCCN1CCN(CCCCCOc2ccc(-c3nc4cc(N5CCOCC5)ccc4[nH]3)cc2)CC1,1
COc1ccc(-c2ccc(OC)c(OC)c2OC)cc1,1
CCOC(Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)OCC,0
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,1
COC(=O)c1cc(O)c2c(c1C(=O)OC)CC1C3CC=C4CC(O)CCC4(C)C3CCC21C,1
N#Cc1c(Cl)nc2ccccc2c1N=[N+]=[N-],1
Nc1ccc(C(=O)[O-])c([O-])c1.c1ccc([Sn+2]c2ccccc2)cc1,1
NN=Cc1cnnc2ccccc12,0
OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1,1
CN(NC(=O)C(=O)NCc1ccco1)C(=O)Nc1ccccc1,0
CC/C(=C\c1ccc(Cl)c(Cl)c1)[N+](=O)[O-],1
Nc1cccc(C=CC(=O)O)c1,0
CC1=C(C)C(=O)c2c(c(O)c3ccccc3c2O)C1=O,0
CCOC(=O)C1=C(C)C(CC)C(=O)CC1,0
COc1ccc(CC2=NC(=S)NC2=O)cc1,0
CCOC(=O)C1CC[C@H](OC(C)=O)[C@H](O[C@@H]2CC(C(=O)OCC)CC[C@H]2OC(C)=O)C1,0
CCOC(=O)C(C(=O)OCC)(c1ccccc1)c1ccccc1,0
C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C,1
C[C@H]1OC1C(=O)[C@]1(O)[C@@H](C)[C@H](O)[C@@]23O[C@@]2([C@H](O)c2c(O)cccc2C3=O)[C@H]1O,1
CC(=O)OC[C@@H]1CCCN1C(C)=O,0
Cc1n[nH]c(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)nc1=O,0
CCN(CC)C[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1,0
O=P(NC1CCCCC1)(c1ccccc1)c1ccccc1,0
CCOC(=O)CCCCCn1c(C)c(C)c2c1nc(SC)n1cc(O)nc21,0
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](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5C[C@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O.CC(=O)O[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](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,1
O=C(NCCCN1C(=O)c2ccccc2C1=O)OCc1ccccc1,0
S=C(c1ccc2c(c1)OCO2)N1CCN(c2cccc(Cl)c2)CC1,1
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](SCC(N)C(=O)O)CC(=O)O1,1
CCCCCCOC(=O)N1CCCC[C@H]1C,0
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2cccc(Cl)c2)cn1,0
COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1c1cc3ccccc3cc12,1
Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1,0
COC(=O)n1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc21.[Br-],1
O=C(CNC(=O)Oc1ccccc1)Nc1ccc(C(=O)O)c(O)c1,0
Nc1ccccc1SSc1ccccc1N,0
O=C(O)C(=Cc1ccccc1)C(=O)O,0
Nc1c(Cl)cc2c(c1Br)Cc1ccccc1-2,0
Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2s1,1
O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12,1
Cc1sc(N=C2NC(=O)/C(=C\c3ccccc3)S2)nc1-c1nc(N=C2NC(=O)/C(=C\c3ccccc3)S2)sc1C,1
Cc1ccc(O)c(C(=O)c2ccc(Cl)cc2)c1,0
Oc1cccc2cc(Br)cnc12,1
O=c1c2ccccc2nc(NN=Cc2ccccc2O)n1-c1ccccc1,1
Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1,0
Clc1ccc([C@@H]2NN=C3c4ccccc4OC[C@@H]32)cc1,1
COc1cc([C@H]2c3cc4c(cc3O[C@H](NN)[C@@H]2C)OCO4)cc(OC)c1OC,1
O=C(O)c1ccc(Cl)c(Cl)c1,0
CC1(C)[C@H]2CC[C@]1(C)C1=NNC(=S)N[C@H]12,0
COc1cc2c(cc1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O.Cl,1
C[C@H](O)CCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@@H]([C@H]2CC[C@@H]([C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1,1
O=C(O)c1ccc(C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1,0
O=C1NC(=O)C2(CCCCCCC2)N1,0
C/C(CCN1CC1)=N\NC(=O)Nc1cccc2ccccc12,0
COC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@H](C)[C@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1C(=O)C[C@H](C)[C@@H]2O,1
O=C1c2ccccc2S(=O)(=O)c2c1cccc2[N+](=O)[O-],1
O=Nc1c(NO)ccc2nn(-c3ccccc3)nc12,1
CCC(=O)OCC(=O)COC(=O)CC,0
O=C1C=C(C2=C(C3=CC(=O)c4ccccc4C3=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21,1
C=C1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3,1
Cc1ccc(C(=O)Cc2nc3ccccc3[nH]c2=O)cc1,1
CC1=NC(C)=C(C(=O)OC(C)C)C(c2ccccc2C(F)(F)F)C1C(=O)OCCc1ccc([N+](=O)[O-])cc1,1
Nc1ncnc2c1ncn2[C@@H]1CCC[C@@H](CO)O1,0
Oc1csc(=S)n1Cc1cccnc1,1
Cc1cn(Cc2ccccc2CCl)c(=O)n(Cc2ccccc2CCl)c1=O,1
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.O.O.[Cl-].[Cl-].[H+].[H+],1
COc1ccc(C(=O)C=C2C(=O)Nc3ccc(Br)cc32)cc1,1
CNC(=O)Oc1cc(C(C)C)ccc1Sc1ccc(C(C)C)cc1OC(=O)NC,1
Clc1nc(Cl)c(-c2ccccc2)c(Cl)n1,1
COc1ccc2c(c1)[n+]([O-])c1cc(C#N)ccc1[n+]2[O-],1
CC(C)CN1CC(Br)C(=O)NC1=O,0
CN(C)c1ccc(C=NNC(N)=S)nc1,1
C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O,0
CCOC(=O)N1[C@H]2c3ccccc3[C@H](c3ccccc32)N1C(=O)OCC,0
COc1cc2c(cc1N)-c1ccc(N)cc1C2,0
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2cc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)n(C)n2)c1.Cl,1
N#CCCCC1(CCCC#N)OCCO1,0
COC(=O)C(C)CN1CCOCC1,0
FCc1nc2nc(Cl)c(Cl)nc2[nH]1,0
CC1(C2CC(=O)c3c(O)ccc(O)c3C2)OCCO1,0
COc1cc2c3c(c1)nc(C)n3CCC2,0
NNC(=O)c1ccccc1Nc1ccnc(C(F)(F)F)c1,0
CC(C)C1=CC23CCC4C(C)(C(=O)[O-])CCCC4(C)C2CC1c1c3c(O)n(-c2ccc(Cc3ccc(-n4c(O)c5c(c4O)C46C=C(C(C)C)C5CC4C4(C)CCCC(C)(C(=O)O)C4CC6)cc3)cc2)c1O.[Na+],1
CC1=NN(c2nc(N)nc(CBr)n2)C(C)(C)C1,1
N#Cc1ncc(Cl)c2ccccc12,0
O=C(O)C(O)C(O)C(O)C(O)C(O)C(O)CO,0
CCCCN(C)/N=N/c1ccc(C(N)=O)cc1,0
NS(=O)(=O)c1ccc([Sb](=O)(O)O)cc1,0
O=C(Nc1ccc(F)cc1)OCCOc1ccc(Br)cc1,0
Cc1nc2sccn2c1-c1nc2sccn2c1C=C1C(=O)Nc2ccccc21,1
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCl)CC2,1
O=C(N=C1C(=O)c2ccccc2C(=O)C1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,1
COC(=O)C1=C(C(=O)OC)[C@H]2c3ccccc3[C@@H]1c1ccccc12,0
Cc1cc(-c2ccccc2)cc(=O)[nH]1,0
Cc1oc2c(c1C(=O)c1ccccc1)C(=O)c1ccccc1C2=O,1
Cc1cc(=O)n(-c2cc(Cl)c(S(=O)(=O)O)cc2Cl)[nH]1,0
CC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-],1
O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1,1
N=C(N)SC1c2ccccc2-c2cc([N+](=O)[O-])ccc21,1
Cc1nc(=O)c2[nH]c(=S)[nH]c2[nH]1,0
CCCCCCCOC(=O)Nc1ccc(OCC)cc1,0
COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)ccc1O,1
ClCCN(CCCl)c1ccc(CNc2ccccc2)cc1,1
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N=Nc1c(O)[nH]c2ccc(F)cc12,1
c1ccc(-n2cccn2)cc1,0
Clc1nc2ccccc2nc1Cl,0
C=CCc1cc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c(OC)c1,0
O=c1[nH]c2nnc(C=Cc3ccco3)c(=O)n2nc1/C=C/c1ccco1,0
C=CCOC[C@H]1C[C@@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl,0
O=c1[nH]nc(-c2ccc(Cl)cc2)cc1Cc1ccc(O)cc1,0
COc1cc2nc3cc([N+](=O)[O-])ccc3c(NCCCNCCO)c2cc1OC,1
C=c1cc(O)[nH]c2cccc3cccc([nH]1)c32,0
O=[N+]([O-])c1ccc2nc3ccccc3cc2c1,1
O=c1c(CN(CCO)CCO)c(-c2ccccc2)sc2ccccc12,0
CC1(CSc2ccccc2)CC(=O)N1,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl,1
CC1=NC(=S)N[C@H](c2cccc(Cl)c2)C1C(=O)Nc1ccc(Cl)c(Cl)c1,1
COc1ccc(/C=C2\C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=NO)cc1OC,1
COc1ccc2c(c1)[n+]([O-])c(C#N)c(NC(=O)c1ccco1)[n+]2[O-],0
O=C1CCCCCCCCCCCCCC1,0
CC(=O)SC1CC(=O)C=C2CCC3C4CCC(=O)OC4(C)CCC3C21C,0
CC(C)NC(=S)Nc1c(N)[nH]c(=O)[nH]c1=O,0
CN(C)c1ccc(C(=O)C(O)c2ccccc2)cc1,0
CN(C)CCN(C)c1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23,1
CC(=NO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=NO)CC[C@@]45C[C@@]35CC[C@]12C,1
Nc1ccc2c[nH]nc2c1,0
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2)c1.Cl,1
O=C(O)C1C2C(=O)O[C@H]3C[C@@H]1C[C@@H]23,0
CCN(CC)c1ccc(/C=C/C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1,1
Cc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1,0
COc1ccc(OC)c(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
CC[N@@+]1(C)CC[C@](O)(/C=C/c2ccc(Cl)cc2)C(C(=O)/C=C/c2ccc(Cl)cc2)C1.[I-],1
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c1.CCS(=O)(=O)O,1
N#C[C@]1(C(N)=O)O[C@@]12CCS(=O)(=O)c1ccccc12,0
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC.Cl,1
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O[C@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]7O[C@H](CO)[C@H](O[C@H]8O[C@H](C)[C@H](O[C@H]9O[C@H](C)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C,1
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],0
COc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1,1
Nc1cccc(S(N)(=O)=O)c1,0
Cn1cc(NC(=O)CCl)c(=O)n(C)c1=O,0
N#Cc1c2c(c(N=[N+]=[N-])n3c1nc1ccccc13)CCCC2,1
ClC(Cl)c1ccccc1C(Cl)(Cl)Cl,0
CC(C)=C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C)cc1,1
COc1ccc(C(=O)CC(C(=O)O)c2ccc(OC)c(OC)c2)cc1OC,0
COc1ccc2[nH]c(-c3cccc(N(C)C)c3)cc(=O)c2c1,1
COC1OC(C(O)CO)C(O)C(O)C1O,0
NC(=O)CONc1c(C2=c3ccccc3=NC2=O)[nH]c2ccccc12,1
Cc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1Cl,0
CC(=O)OCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21,0
Br.C(CCCSC1=NCCN1)CCSC1=NCCN1,0
C[Si](C)(C)c1ccc(CC2(Cc3ccc([Si](C)(C)C)cc3)CCNC2)cc1,1
S=C(c1ccco1)N1CCOCC1,0
O=C(COc1ccccc1)Nc1ccccc1,0
CCOC(=O)CC(C)=N,0
C[C@@]12CCC(=O)C[C@H]1CCC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@@H]12,0
C/C=C/CC1(CC)C(=O)NC(=S)NC1=O,0
CC(C)C(C)(NC(=O)c1ccccc1)C(=O)O,0
CCOC(=O)C(C#N)c1nc2sc3cc(Cl)ccc3n2c(=N)c1C#N,0
CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,1
O=c1[nH]c(=S)[nH]cc1Oc1ccccc1,0
COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1O,0
COc1cc(C)c(Br)cc1Br,0
CCCCC(C(=O)O)C(C)CC,0
CC(=O)O[C@@H](C)c1cc2c(s1)C(=O)c1sccc1C2=O,1
CC(C)N(CCC#N)c1c(N2CCOCC2)ssc1=O,0
COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1,1
COc1cc(CC(=O)C(=O)O)oc(=O)c1,0
COC(=O)C1=C(C(=O)OC)SC2(S1)C1=C(CCCC1)SC(C(=O)OC)=C2C(=O)OC,1
COc1cc(C(=O)OC(C(=O)NCCN(C)CCNC(=O)C(OC(=O)c2cc(OC)cc3c(C)cccc23)[C@]2(C)CO2)[C@]2(C)CO2)c2cccc(C)c2c1,1
Cl.O=C(NCCNCCO)c1cccc2ccc(-c3ccccc3)nc12,1
C=C(C)[C@H]1CC/C(C)=C/CC[C@@]2(C)O[C@@H]2CC/C(CO)=C\[C@@H]1OC(C)=O,0
Cn1ncc(CC(=O)O)c1NC(=O)c1ccc(Cl)cc1N,0
COc1cc2c(cc1OC)C(Cc1ccccc1[N+](=O)[O-])=NCC2,0
Cc1c(-c2ccnc(N)n2)c2c(n1Cc1ccccc1)C(=O)c1ccccc1C2=O,1
CC(C)N1CSC(=S)NCCNC(=S)SC1,0
CCCCCn1cnc2c(=S)[nH]cnc21,0
O=P1(N(CCCl)CCCl)OCCCN1CCCl,0
COc1ccc2c(c1)c1nn(CCN(C)C)c3ccc4c(=O)n(CCN(C)C)c(=O)n2c4c13,1
CC(=O)Nc1c(C(=O)O)ccc(C)c1OCc1ccccc1,0
Nc1ccccc1SSc1ccccc1N,0
[I-][Bi+3]1([I-])[S]=C(N2CCSCC2)[S-]1,1
CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O,1
Cc1cc(O)c(C(C)C)cc1N=Cc1cc([N+](=O)[O-])ccc1O,0
Cl.O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCNCCNCCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O,1
O=C(CCC(=O)Nc1ccccc1C(F)(F)F)NN=C1C(=NNC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)C(c2ccc3c(c2)OCO3)Oc2ccccc21,1
CCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)C(=NC(C)=O)C1=O,1
Clc1ccccc1I,0
C/C(=C\c1ccc(OCC(=O)O)c2ccccc12)[N+](=O)[O-],0
NC(=O)CC1(c2ccccc2)CCCCC1,0
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O,0
CC(=O)Oc1c(C)cccc1Cl,0
CCC/C(C)=C/c1ccc(CC)cn1,0
O=C(NCCCCOCC#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1)c1cc2ccccc2[nH]1,1
CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccc(C(=O)O)c(O)c2)c1C,1
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC,0
CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1.[I-],1
CCCCCC1=NCCN1CCO,0
Oc1ccc(Cl)cc1CN1CCOCC1,0
CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O,0
COc1ccc([C@H](O)[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(CO)c1OC,0
O=c1c2c3c(sc2n2c(CN4CCOCC4)nnc2n1Cc1ccccc1)CCCC3,0
Cc1[nH]nc(-c2cccnc2)c1N=NN(C)C,0
CCCCCCCCC(=O)N1CCOCC1,0
CNC1(C#N)CCN(Cc2ccccc2)CC1,0
Cc1c(Cl)c(S(N)(=O)=O)cc2c1N=C(c1ccccc1)N=S2(=O)O,0
CCN(CC)c1ccc(C(O)C2=CC(=O)c3ccccc3C2=O)cc1,1
CC(=O)[O-].c1ccc([Bi+]c2ccccc2)cc1,1
CSc1nncc(-c2ccccc2)n1,0
Nc1nc(N)c(C=Nc2ccc(Br)cc2)c(Nc2ccc(Br)cc2)n1,1
O=C(Nc1ccccc1Cl)Oc1ccc2ccccc2c1,0
CCSc1nc(=O)c(C)c(C)[nH]1,0
CC#CC#Cc1cccc(=O)o1,1
COC(=O)C1C(=O)C(C(=O)OC)[C@]2(O)C(C(=O)OC)[C@H]1C[C@@H](c1ccc(Cl)cc1Cl)C2C(=O)OC,1
Cc1nc(Cl)c(Cl)c(Cl)n1,1
COC(=O)/C=C1\C(=O)N(C(C)=O)c2ccccc21,1
O=c1[nH]cc(F)c(=O)[nH]1,1
O=C(O)C(F)(F)F.Oc1c2c(c3c4c1N=CC=4CCN=3)-c1c(Br)cc(Br)cc1CCN2,1
O=[N+]([O-])c1ccc(S(=O)(=O)NN=C2CCCCC2)cc1,0
COc1cc(/C=C/C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc4ccc(Cl)cc4)n3)cc2)cc(OC)c1OC,1
CCCC[C@](CC)(CC(=N)C(C)(C)C)c1ccccc1,0
O=C1c2c(Br)sc(Br)c2C(NC(=O)C(F)(F)F)C1Br,1
O=C1CC(=Nc2cccc(Br)c2)c2ccccc2C1=O,1
ClC1=C(Cl)C(Cl)=C(Cl)C1=Cc1ccccc1,1
NC(=O)c1cc(I)ccc1NC(=O)/C=C/c1ccccc1,1
CC12CC3(C)SC(C)(CC(C)(S1)S2)S3,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)no1,1
C=C(C)COC(=O)c1ccccc1C(=O)OC[C@]1(C)CO1,0
CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN(C)C)c3cc([N+](=O)[O-])ccc3n(c1=O)c24,1
CCN(CC)CCOCCOCC1(c2ccc(Cl)c(Cl)c2)CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1
O=C1c2ccccc2C(=O)N1CO,0
Nc1ccc(O)cc1,0
C/C(=C/c1cc(O)oc1O)CC(C)(C)C,0
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@]2(COC(=O)CCl)CC1)[C@@]31CO1,1
COC(=O)c1c(C)ccc2c(O)c3c(cc12)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@](C)(O2)[C@@H](O)[C@@H](N(C)C)[C@@H]1O,1
C(#CCN1CCOCC1)CCCN1CCOCC1,0
Cc1ccc(C#C[C@@](C)(O)C(C)(C)C)cn1,0
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
c1ccc(C(c2ccccc2)C2CCNCC2)cc1,0
CC(=O)C(=NNc1ccc(-c2ccc(NN=C(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1C,0
COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccccc1C3=O,1
Cc1cccc(N=Cc2ccccc2O)c1C,0
Cc1cc(C)[nH]c(=NC(=N)NCCc2ccccc2)n1,1
O=C1c2cc([N+](=O)[O-])sc2C(=O)c2cc([N+](=O)[O-])sc21,1
Nc1n[nH]c(=S)n1-c1ccc(Cl)cc1,0
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C[C@@]1(C)O[C@H]1[C@@H]1O[C@H]1C(=C)[C@@H]2O,1
N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)COc1ccccc1-2,0
COc1ccccc1C#Cc1cccc(C#CCCCCN2CCCCC2=O)c1,0
N[P@@]1(Oc2ccc(F)cc2)=N[P@](N)(Oc2ccc(F)cc2)=NP(Oc2ccc(F)cc2)(Oc2ccc(F)cc2)=N1,1
O=CNc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2,1
O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1,0
Cc1ccccc1OCC(O)COc1ccccc1C,0
CSc1c(C#N)c(N)nc2c(N=Nc3ccc(Cl)cc3)c(N)nn12,1
CCOC(=O)c1c2c(n(-c3ccc(OC)cc3)c1C)C(=O)C(=O)c1ccccc1-2,1
CCOc1c(OC)cc(C2c3cc4c(c(OCC)c3CC3COC(=O)C32)OCO4)cc1OC,1
COc1ccc(C(=S)N2CCN(c3ccc(C)cc3)CC2)cc1,0
CCOC(=O)C1Cc2ccccc2OC1=O,0
COc1ccc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2cc([N+](=O)[O-])ccc12.Cl,1
C=CCc1ccc2c(c1)OCO2,0
COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)NCCCN(C)C)n(C)n1)N=CC1CCCN1C2=O,1
O=C1c2ccccc2C(=O)N1CCCl,0
Cc1cc(NNC(=O)c2ccccc2O)nc(Nc2nc3ccccc3o2)n1,1
O=C(O)c1ccc(S(=O)(=O)O)cc1.[K+],0
O=C1CSCCN1,0
Cc1c(Cl)cccc1NCN1C(=O)c2ccccc2C1=O,0
COc1ccc(/C(=C\C=C(C#N)C#N)Sc2nc3ccccc3s2)cc1,1
CC(C)(C(N)=O)N1CCN(c2ccccc2Cl)CC1,0
Nc1nccnc1C(=O)O,0
Cc1cccc(C)c1NC(=S)N(C)C,0
COc1ccc(/C=C(C(=C/c2ccc(OC)cc2)\[N+](=O)[O-])/[N+](=O)[O-])cc1,1
CC[n+]1c(/C=C/c2ccc(N(CCCl)CCCl)cc2)ccc2cc(I)ccc21.[I-],1
COc1ccc(-c2c3c(nc4ncnc(N)c24)C(C)CCC3)cc1,0
O=S(=O)(O)c1ccc2cc(O)c(O)cc2c1.[Na+],0
CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c1ccc(OC)cc1,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(=O)CO)CC1OC1CC(N2CCOCC2)C(O)C(C)O1)C3=O,1
O=S(=O)(O)O.O=c1cccc(O)[nH]1,0
Cc1cc([N+](=O)[O-])c(=O)[nH]c1C,0
Cc1c[n+]([O-])ccc1[N+](=O)[O-],0
COc1cc(C(=O)NCC(=O)NN=C(C)C)cc(OC)c1OC,0
CCCCCn1c(C)cc(/C=C/c2ccc3cc(C)ccc3[n+]2C)c1C.[Cl-],1
CCC1CCC(C)N(N=O)C1,0
CC(C)C(OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C,1
CCCCC[C@H](O)C1C(=O)O[C@@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(\C)[C@H](O)[C@H](O)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O,0
CCCCCCCCCCCCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CNC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1,1
C=C(CNC(=O)c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cccc[n+]1[O-],1
O=C(C(O)CN(CCCl)CCCl)C(O)C(O)CO,0
CNC(=O)Sc1cccc(C)c1,0
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(Sc1ccccc1)N1CCOCC1,1
Nc1nc(N)c2c(n1)N[C@H](c1ccc(F)cc1)C1CCc3ccccc3C1=N2,1
Cc1cccc(N=C2CCCC2C(=O)Nc2cccc(C)c2C)c1C,0
CN(C)CCN(Cc1ccco1)c1ccccn1.O=C(O)/C=C\C(=O)O,0
O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1cc2oc(-c3ccccc3)cc2[nH]1,0
Fc1cccc(CBr)c1,0
CC(=O)O[C@@H]1Oc2cc(C)c(C)cc2-c2oc(=O)c(-c3ccccc3)cc21,1
C[N+](C)(Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-],0
COc1ccc(C2CCCCC2=O)cc1,0
CC(=O)CC(=O)NCc1ccc2c(c1)OCO2,0
CCN(CCCl)CCCCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,1
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C,1
Cc1cccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)c1,1
CO/C(=N\N=C\c1cccc(C(F)(F)F)c1)c1ccncc1,1
CCSc1ncc(Br)c(Sc2nc(N)nc3[nH]cnc23)n1,1
O=C1NS(=O)(=O)c2ccccc21,0
CC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
CCCCCOC(=O)N1CCCC[C@H]1CCC,0
CCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,1
c1ccc2c(c1)Nc1cc3ccccc3cc1S2,0
Cc1cc(C)n(/N=C/c2ccco2)c(=O)c1C#N,0
Cc1c(N)cc2c(c1N)C(C)(C)CC2(C)C,0
C=C1C(=O)O[C@@H]2[C@@H]3O[C@@H](C[C@@H]13)[C@](C)(O)CC/C=C(\C)CCC[C@H]2C,1
CC(C)=C[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C[C@H]4C(=C(C=O)CC[C@@H]32)C(=O)C[C@]4(C)O)O1,1
Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-],0
C=C1C[C@](C)(c2ccc(Nc3nc4ccccc4c4occc34)cc2)OC1=O,1
COc1cccc(C(=O)NNC(=O)c2cccc3ccccc23)c1,0
COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1,0
Cc1ccc(N)c(S(=O)(=O)O)c1,0
CCOC(=O)C(O)C(O)(c1ccccc1)c1ccccc1,0
CCCCN(CCCC)N=O,0
CNc1cccc(C)c1,0
C[C@]12CCC(=O)C=C1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12,0
O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1,0
CC(=O)OCC(C)O,0
COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)[nH]c1N/N=C/c1c(Cl)cccc1Cl,1
Nc1cc(Nc2ccc(Br)cc2)nc(N)n1,0
COc1ccccc1[C@H]1C2=C(COC2=O)Oc2cc3c(cc21)OCO3,1
COc1cc2[nH]c(O)c(C=O)c2cc1OC,0
CCC(=O)Nc1ccc(C)c(Cl)c1,0
CSc1nc2c(c(=O)n1C)CN(Cc1ccccc1)C(=O)C(c1ccccc1)N2,0
C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C,1
C(=N/OCCc1ccccc1)\c1ccccn1,0
CCCC[Sn+2]CCCC.Cc1ccc(C(=O)[O-])cc1N.Cc1ccc(C(=O)[O-])cc1N,1
O=C(O)c1cccc2c1Oc1ccccc1S2(=O)=O,0
Cc1ccc(S(=O)(=O)NN=C2CC3CCC2C3)cc1,0
O=c1[nH][nH]c2c1CCCCCC2,0
Cn1c(C=CCO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O,1
N#CCCn1nc2c(c1N)CCC2,0
O=C(NCCCNCCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,1
O=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O,0
CCOc1nc(C(Cl)(Cl)Cl)ns1,0
c1ccc(COCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
CCCc1oc2ccccc2c(=O)c1C(=O)c1ccc(O)cc1,0
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](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)C[C@@H](O)[C@H]1O,1
CCOC(=O)c1c(-c2ccccc2)c[nH]c1C,0
Cc1ccccc1-c1cc(Cc2ccccc2O)c(=O)[nH]n1,0
Cn1cc(CO)c2c1C(=O)C=C(N1CC1)C2=O,1
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@@]21C,0
CN(C)CCN=C(O)c1ccc(C(=O)NCCN(C)C)c2cc3ccccc3nc12.Cl,1
CCCCCCCCCCCCCCCCCCOC(=O)CCN1CC1,0
COCn1c(C(=O)OC)cc2oc(CC3=NC(=S)NC3=O)cc21,0
CCCCCCCCCCCCCCCCCCNc1ccn([C@@H]2O[C@@H](CO[P@](=O)(O)OC[C@@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3F)[C@@H](O)[C@@H]2O)c(=O)n1,1
C=CCNC(=S)N1CCN(c2ccccc2Cl)CC1,0
CCC([C@H](O)c1ccccc1)[N+](=O)[O-],0
O=[N+]([O-])c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1,1
CC(=NNC(=S)NN=C(C)c1ccccn1)c1ccccn1,1
S=c1[nH]cc(Oc2ccc(Cl)cc2Cl)c(=S)[nH]1,0
Oc1ccc(NC(=S)Nc2ccccc2)cc1,0
Nc1ccc(NC(=S)Nc2ccccc2)cc1,0
CNCc1cccc(C)n1,0
C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CC[C@@H](OC(C)=O)C3=C[C@H](OC3=O)[C@@H]12,1
O=c1c2ccccc2[nH]c2c3c(cn12)nc1ccccn13,0
CSc1nc(Cl)cc(N2CC2)n1,0
COc1cccc(-c2ccc3c4c2O[C@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)N(CC3CC3)CC[C@]425)c1.Cl,1
C=C(C)CCc1nccc2ccccc12,0
CCOC(=O)c1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1,0
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C,0
C=CCOc1ccc(S(C)(=O)=O)cc1,0
NC(=S)Nc1ccc(Cl)cc1,0
CC1=NC(C)=C(C(=O)OC(C)C)C(c2ccccc2[N+](=O)[O-])C1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],1
CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)c1ccccc1,1
CC(C)Nc1ncnc2[nH]ncc12,0
ClCc1ccc2ccc3ccc(CCl)nc3c2n1,1
CC(=O)OC(C)c1cc2c(s1)C(=O)c1c(C(C)OC(C)=O)csc1C2=O,1
CCOc1ccccc1C=CC(=O)CCC(=O)O,0
C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)C=CCC(=O)CCC(C)CC=CC3C1O,1
CN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1,1
O=C(O)c1cccc([N+](=O)[O-])c1-c1c(C(=O)O)cccc1[N+](=O)[O-],0
CC=CC(=O)OCCCc1ccccc1,0
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCN)OCO2,1
OC(CC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=NNc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl,1
C=c1nc2c(O)c3ccccc3c(O)c2nc1=C,1
COc1c(OC(C)=O)c(OC(C)=O)cc2c1-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
O=C1c2cccnc2-c2nc(-c3cccnc3)cc3c2c1nc1ccccc13,1
C=CCNC(=S)NCC,0
Cc1cc(C)c(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c(C)c1,1
COc1ccc(C=NNC(N)=NO)c(O)c1.Cc1ccc(S(=O)(=O)O)cc1,1
CC(C)(O)CC(=O)C=Cc1ccc2c(c1)OCO2,0
O=C(Oc1ccccc1[N+](=O)[O-])C1CCCN1C(=O)OCc1ccccc1,0
CCCCCCCCCCCC/C=C/c1cc(O)oc1O,0
CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]c1N/N=C/c1c(Cl)cccc1Cl,1
O=c1ccn([C@@H]2CCCO2)c(=O)[nH]1,0
NS(=O)(=O)c1ccc(N=Nc2nc3[nH]cnc(=S)c3[nH]2)cc1,1
CC(C)N(C)C(=O)CSc1ccc(Cl)cc1,0
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1,0
CCc1nc(N)c(C)c(CC)n1,0
CC(=O)Nc1ccc2c(c1)-c1ccc(F)cc1C2=O,0
CC1=CC23C(COC(=O)C24CO4)C(C(=O)O)=CC3C1C.NCc1ccccc1,1
CCOP(=O)(OCC)C1CCOC1=O,0
c1ccc(C(=NNc2nc3ccccc3s2)c2ccccn2)cc1,1
CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)CC=CC(C)=CC(CO)C(=O)C(C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O,1
CO[C@@H]1[C@H](O)[C@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(O)[C@H](OC(C)=O)C2)O[C@H](C)[C@@H]1O,1
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(Cl)cc1Cl)CN2,1
CC(=O)O.O=C(CCN1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O,1
C/C(Cl)=N/OC(=O)Nc1ccc(S(N)(=O)=O)c(C)c1,1
O=C(NN=Cc1ccccc1O)C(=O)Nc1ccc(F)cc1,1
O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O,1
C=CCN1C(=O)c2ccccc2C1=O,0
Cc1cc(N=Nc2ccccc2)cc(C)c1NC(=O)C(F)(F)F,0
O=C1N[C@]2(c3ccccc3)NC(=O)N[C@]2(c2ccccc2)N1,0
Cc1nn2c(/C=C3/C(=O)Nc4ccccc43)c(-c3ccc(Cl)cc3)nc2s1,1
CC(=O)OC1CCC(OC23C(O)=C[C@@](C)(O)CC2(O)C=CC2=C3C(=O)c3ccc(C4CC(OC5CCC(OC6CC(OC(C)=O)C(OC(C)=O)C(C)O6)C(C)O5)C(OC(C)=O)C(C)O4)c(O)c3C2=O)OC1C.CC=O,1
CCCCCCN(CCCCCC)CCCNc1nccc2ccccc12,1
c1ccc2c(CNCCCN3CCN(CCCNCc4cccc5ccccc45)CC3)cccc2c1,1
O=C(CCCn1c(=O)c2sc3ccccc3c2n2nnc(-c3ccccc3)c12)NCCc1c[nH]cn1,1
COC(=O)N=C(NC(=O)OC)Nc1ccc(Oc2ccccc2)cc1NC=O,1
COc1cccc(OC)c1C(=O)O,0
C[n+]1noc([O-])c1-c1ccccc1,0
CC1OC(OC2CC(O)(C(=O)CBr)C=C3C(=O)c4c(c(O)c5ccccc5c4O)C(=O)C32)C(F)C(O)C1O,1
CC(=O)Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.Cl,1
COc1cc2c3c(n(CCCBr)c(=O)c2cc1OC)-c1ccc(NC(C)=O)cc1C3=O,1
CCc1nn[nH]n1,0
O=c1[nH]cnc2c1ncn2Cc1ccc([N+](=O)[O-])cc1,0
Cc1ccc([C@H]2OC[C@](C)([N+](=O)[O-])CO2)cc1,0
O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1OP(=O)(O)O,1
COC1C=CC=C(C)C(=O)Nc2cc3c(c(c2O)C=C(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)Oc1cc(Br)ccc1N3,1
CC1(C)[C@@H]2CC[C@](C)(O)[C@H]1CC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@H]1C2,0
C1CN(CCN2CCOCC2)CCO1,0
COC(=O)c1ccc2c(=O)[nH]c(CSc3nc4ccccc4c(=O)n3C)nc2c1,0
Cn1c(O)c(C(=O)NC2CCCCC2)c(=O)n(C)c1=S,1
CC(=NNC(=S)N1CCCCCC1)c1ccccc1O,1
O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Cl)SCc1ccccc1,1
N=C(N)NN=C(c1ccccc1)c1ccc(N)cc1,0
CCCCC(CC)COC(=O)Cc1ccccc1,0
O=[N+]([O-])c1cc(CCl)ccc1CCl,1
COc1cc2c3c(n(CCCCl)c(=O)c2cc1OC)-c1ccc(C#N)cc1C3=O,1
CC(=O)C(C=NC(N)=S)C(=O)Nc1ccccc1C,0
Cc1[nH]c(N=Nc2ccccc2)nc1N=Nc1ccccc1,1
COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)N23)cc(OC)c1O,1
CCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)C,1
COc1ccc([Sb](Br)(C=C(C)C)(C=C(C)C)C=C(C)C)cc1,1
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.[Br-].[H+],0
O=C1O[C@](c2ccc(O)cc2)(c2ccccc2O)c2ccccc21,0
CCCCN(CC)CCCCCCCCCCN1CCCc2cc(OC)ccc21,1
CC(C)(C)NSc1nc2ccccc2s1,0
COc1ccc(O)c(C=NNC(=S)N2CCCCC2)c1,1
O=c1c([N+](=O)[O-])cn(Cc2ccccc2)c(=O)n1Cc1ccccc1,0
COC1OCC2OC(C)(C)OC2C1OC(=S)SC,0
C=C[Si]12OCCN(CCO1)CCO2,0
CCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)CC(C)O,1
CCC1(C(C)C)C(=O)NC(=S)NC1=O,0
Oc1c([C@@H](Nc2cccc3cccnc23)c2ccccc2)ccc2cccnc12,1
O=C1CCN2C=CC=CC2=N1,0
COC(=O)CCc1ccc(N(CCO)S(=O)(=O)c2ccc(C)cc2)cc1,0
Nc1ncncc1-c1ccccc1Cl,0
CCCOc1nc(SCCC)nc2c1cnn2-c1ccccc1,0
OC(c1ccccc1)(c1ccccc1)C(F)(F)Cl,0
CC(=O)c1ccc2c(c1)c1c(C)c3c[n+](C)ccc3c(C)c1n2C.[I-],1
O=C(O)C(CS(=O)(=O)O)Nc1ncnc2[nH]cnc12.[Na+],0
CCCCCCCC(=O)C(C)C,0
CC(=O)Nc1nc(=O)c(CCC2OCCO2)c(C)[nH]1,0
CCN(CC)CCOc1cc(C)ccc1C(C)C,0
O=C(CCCC(=O)N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl,0
COc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1,1
CC(=O)ON=C1C=CC(=C(C#N)c2ccccc2)C=C1,1
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)cccc12,1
O=C(O)C(=O)O.O[C@](CCN1C[C@H]2CC[C@H](CC2)C1)(Cc1ccccc1)c1ccco1,0
CSc1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)C[C@@H]1O,0
Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-],1
COC1=CC(=O)c2c(cc(COP(=O)(N(C)CCBr)N(C)CCBr)n2C)C1=O,1
Cn1c(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=S,1
O=C(CCCCn1cnc2c(=S)[nH]cnc21)Nc1ccc(C(=O)O)cc1,0
Clc1ccc2nnnn2n1,1
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc21,1
C[N+](C)(C)CC1CCc2ccccc2C1=O.[I-],1
Cn1[nH]cc(C=NC(N)=O)c1=O,0
Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1,0
Cc1cc(S(=O)(=O)N=C(NN)Nc2ccc(Cl)cc2)c(S)cc1Cl,1
Cc1cc(C)c(C)c(C(=O)C(=O)c2ccccc2)c1,0
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1,1
O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2cccc(Cl)c2)CC1,0
COC(=O)c1cc(Br)ccc1O,0
CCn1c(-c2c(Cl)cc(O)cc2Cl)cc2c(Cl)cc(O)cc21,1
CCSc1ncc(CO)c(N)n1,0
O=C(Cc1ccc2c(c1)OCCO2)Nc1nc2ccc(F)cc2s1,0
CCOC(=O)C(CCc1ccccc1)C(C)=O,0
C[C@@H]1CN(C=O)C[C@@H](C)N1CCN1[C@H](C)CN(C=O)C[C@H]1C,0
O=C1C=C(N2CC2)c2ccccc2C1=O,1
CCOC(=O)NNC(=O)OCC,0
CCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OCCN5CCCC5)ccc4[C@H]3CC[C@]2(C)C1=O,1
CC(CC(=O)Nc1nc[nH]n1)=Nc1nc[nH]n1,0
O=C(O)C[C@@H]1CC[C@H]1CC(=O)O,0
COc1ccc(C(=O)c2ccc(OC)c(OC)c2OC)cc1,1
CCCCCCCCCCCCCCCCNC(=O)NCCC,0
C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,1
CC(OC(=O)Nc1cccc(Cl)c1)C(=O)OCCCl,0
CCOC(=O)CC(S[P@]1(=S)OC[C@]2(CC=CCC2)CO1)C(=O)OCC,0
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Cl)cc1,1
COc1ccc2c(ccc3c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)n(C)c32)c1,1
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1,0
COc1ccc2c(c1)[n+]([O-])c(C=CC(=O)c1cc(OC)c(OC)c(OC)c1)c(C)[n+]2[O-],1
NNC(=S)NN=Cc1ccccn1,1
Nc1nc(N)c(N=O)c(Nc2ccc(S(N)(=O)=O)cc2)n1,0
CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,0
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O,0
O=C(Nc1cc([As](=O)(O)O)ccc1O)c1ccccc1,0
CCOC(=O)C(C)=NN,0
O=C1O/C(=N\c2cccc([N+](=O)[O-])c2)c2ccccc21,0
C[C@@H]1CN1c1c(C(=O)/C=C/c2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O,1
C/C(Cc1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
CCOC(=O)[C@]1(Cc2ccccc2)CCCCCC1=O,0
Cc1cc2cc3cc(C)c(N)cc3nc2cc1N.Cl,1
O=C([O-])C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4],1
O=C1CCN(Cc2ccccc2)C(=S)N1,0
O=C(c1ccccc1)n1oc(=O)c2ccccc21,0
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=Nc2ccc(-c3csc(COc4ccccc4)n3)cc2)cc1,1
COc1cccc(-c2cc(=O)c3cc(N4CCN(C)CC4)ccc3[nH]2)c1,1
O=C(O)/C=C\C(=O)Nc1ccc(C(=O)O)c(O)c1,0
CN(C)CC1CCC/C(=C\c2ccccc2)C1=O.Cl,1
O=C1C(=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(Cl)C(=O)c2ccccc21,1
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NCCN)c3ccccc43)[nH]c2c(OC)c1OC.Cl,1
O=C(C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1,1
Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2nc3ccccc3s2)cc1,1
Cc1ccc2[nH]c3c(c2c1)CCCC3=NN=C(N)N,1
CC(C)OC(=S)SSC(=S)OC(C)C,0
CC(=NNC(=S)N1CC2CCC(CC2)C1)c1ccccn1,1
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,1
CC(=O)Oc1ccc(C2=Cc3ccc(OC(C)=O)cc3OC2C)cc1,1
C[n+]1ccc(/C=C/c2ccccc2)cc1.[I-],0
O=C(O)c1ccccc1C(c1ccccc1)c1ccccc1,0
O=S(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl,0
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c1.CCS(=O)(=O)O,1
CNC(=O)C(Cl)Cl,0
CO[C@H]1O[C@H](CO)[C@@H](N(C)C(C)=O)[C@H]1O,0
CCC1C(c2ccccc2)=CCC(C(=O)O)C1C,0
CC(=O)c1ccccc1OC(=O)c1ccccc1,0
O=c1[nH][nH]c2cc([N+](=O)[O-])ccc12,0
Cc1ccc(C)n1-c1ccccc1-n1c(C)ccc1C,0
Cc1cnc(SCc2ccccc2Cl)nc1N(C)C.Cl,0
CCC[Sn](Cl)(Cl)CCC,1
S=c1[nH]nc2ccccn12,0
Cc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1.[Na+],0
Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O,0
O[C@@H](COc1ccccc1)CN1CCN(c2ccccc2Cl)CC1,0
Cl.O=C1C=CC(=O)c2c(O)c(N3CCN(CCO)CC3)c(Cl)c(O)c21,1
C=C(C)C(=O)Nc1c(C)cccc1C,0
O=C(O)c1ccc2c(c1Sc1ccccc1)C(=O)c1ccccc1C2=O,0
Cc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,0
CC1CCN(C(=O)c2ccccc2)CC1,0
CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1.[I-],1
CCCC(OC(=O)CCl)C(CC)COC(=O)CCl,0
OCC(F)(F)C(F)(F)C(F)(F)CO,0
CCCc1oc(C)cc1CC,0
ClCC[n+]1ccccc1.[Br-],0
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H](N(C)C)[C@@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)c2c(cc3c(O)c4c(c(O)c3c2O)C(=O)C=CC4=O)C1C(=O)OC,1
Cc1nccn1CC(=O)c1ccccc1,0
NC(=O)c1ccc(-n2c(O)cc(-c3nc4ccccc4s3)c2N)cc1,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)NC(=S)N4CCCN(C)C.Cl,1
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1OC,1
O=Nc1c2cccnc2n2nnc3ccc(Cl)cc3c12,1
O[C@@H](c1cc(-c2cccc(Cl)c2)nc2ccccc12)[C@@H]1CCCCN1,1
C=C1C(=O)O[C@@H]2C=C(C=O)CCC=C(C)[C@H](O)C[C@@H]12,1
Ic1cccs1,0
O=C(COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1,0
BrCc1ccccc1.Brc1cccnc1,0
CC(C)(C(N)=O)N1CCN(c2cccc(Cl)c2)CC1,0
COC(=O)C1C2CCCC[C@@H]1OC2=O,0
Cc1ccc(-c2c(-c3ccccc3)[nH]c(C)c2C(=O)ONC(=O)c2ccccc2)cc1,1
COC(=O)c1ccc2cc(OC)cc([N+](=O)[O-])c2n1,0
NC(=O)NCO,0
ON=C1C(=NO)c2cccc3cccc1c23,1
SCc1ccc(Cl)cc1Cl,0
COc1ccc2c(c1)-c1nn(CCCN(C)C)c3ccc([N+](=O)[O-])c(c13)N2,1
CCOc1cc2c(cc1O)C(=NNS(=O)(=O)c1ccc(C)cc1)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
S=c1[nH]c2ccc(I)cc2c(=S)n1Cc1ccccc1,1
Nc1ccc(C(OC(=O)c2cc3ccccc3c(Cc3c(O)c(C(=O)OC(c4ccc(N)cc4)(c4ccc(N)cc4)c4ccc(N)cc4)cc4ccccc34)c2O)(c2ccc(N)cc2)c2ccc(N)cc2)cc1,1
CC12CCNC(=O)C=C1CCC1C2CCC2(C)C(OC(=O)COc3ccc(N(CCCl)CCCl)cc3)CCC12,1
O=C1C=C(OCCCl)C(=O)c2c(O)ccc(O)c21,1
Cc1cc(O)c2c(c1O)C(=O)[C@@]13C(=C4c5c(c(O)c6c(O)cc(C)c(O)c6c5O)C(=O)C1[C@H]4O)[C@@H](O)CC(=O)C3C2=O,1
CCOc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OCC,1
COC(=O)c1ccc(O)c([N+](=O)[O-])c1,0
Nc1ncnc2c1ncn2[C@H]1C=C(CO)[C@H](O)[C@@H]1O,1
CC(C)n1cnc2c(Cl)ncnc21.Cl,0
CN(C)c1ncnc2c1ncn2[C@@H]1CCCO1,0
O=C(CN1CCN(CC(=O)c2ccccc2)CC1)c1ccccc1,0
O=C(CCCSCCCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1,0
CN1C=C(C(N)=O)C2CC(O)C(NC(=O)CS(N)(=O)=O)(C(=O)O)C2C1,1
C=C(c1ccc2[nH]c(NC(=O)OC)nc2c1)c1cccs1,1
C[N+](C)(C)CCO.[Cl-],0
CCOC(=O)C(CC)(COC)C(=O)OCC,0
CCCCCCCCCC(=O)O.CCCCCCCCCCSC(=N)N,1
O=C1C(=Cc2ccccc2)C2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46,1
O=C1c2cccc3cccc(c23)C(=O)N1CCCCOc1ccc(-c2nc3cc(N4CCOCC4)ccc3[nH]2)cc1,1
Cc1cc(C)c(-c2c(N)cc(Br)cc2Br)c(N)c1,1
O=C(O)C(F)(F)F.O=C1C(Br)=CC2(C=C1Br)CCN=c1c(O)c3c4c(c12)NCCC=4C=N3,1
C=C(Cl)CSc1ncnc2[nH]cnc12,0
COc1ccccc1C=C1CCC(CNc2ccc(Cl)cc2)C1=O,1
CC1(C)O[C@@H]2O[C@H]3[C@@H](O[C@H](c4ccccc4)O[C@@H]3CNCCO)[C@@H]2O1,0
COc1ccc(CC2NC(=O)C(=NC(O)=c3c(N)c(O)c(C)c4c3=Nc3c(C(=O)NC5C(=O)NC(Cc6ccc(OC)cc6)C(=O)N6CCCC6C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC5C)ccc(C)c3O4)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C2=O)cc1,1
CCOC(=O)c1c[nH]c(=O)nc1N,0
Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl.[Cl-],1
O=C1CCNC(=O)N1OS(=O)(=O)c1ccccc1,0
CC(=O)c1ccc(Br)cc1N=C1CC(=O)c2ncccc2C1=O,1
Cc1c(C)[n+]([O-])c(C)c(C)[n+]1[O-],0
NC(Cc1ccc(O)c(O)c1)C(=O)O,0
CCCCCCCCCCCCCCCCCCOC[C@@]1(CO[P@](=O)([O-])OCC[N+](C)(C)C)CCCO1,1
O=C(c1ccc([N+](=O)[O-])cc1)C(Br)[C@H](Br)c1ccnc2ccccc12,1
CCCCCCCCC=CCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO,1
N[C@H]1NNC(=S)S1,0
Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1N.Cl,0
Cc1ccc(C)c(C(C(N)=O)C(C)C)c1,0
Cc1n[nH]c(=S)[nH]c1=O,0
CCOC(=O)NC(=S)c1ccc[nH]1,0
O=C1CCC(=O)NN1,0
Cc1cc(C(N)=O)c2ccccc2n1,0
CC(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1,0
Nc1cc(S(=O)(=O)O)ccc1O,0
CCCC(C)C1CCC(=O)CC1,0
Cc1ccc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)c1,1
Cc1ccccc1NC(N)=O,0
CCOC(=O)c1ccc(N=CNc2ccc(C(=O)OCC)cc2)cc1,0
N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2ccccc2)n(-c2ccccc2)c1N,0
O=C1C(=NCc2ccco2)C(Cl)C(=O)c2ccccc21,1
OCC1OC(n2ccc3c(=NO)[nH]cnc32)C(O)C1O,1
C=CS(=O)(=O)c1ccccc1,0
CC1(C)OC[C@@H]([C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC=CC(=O)O2)O1,1
O=C(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1,0
C=CCNC(=O)c1ccccc1,0
CN(c1cccnc1)c1ncnc2[nH]ncc12,0
COc1cc(C(C)c2cc3c(cc2OCCO)OCO3)cc(OC)c1OC,1
CCCCCC.Nc1nc(=S)c2[nH]cnc2[nH]1,1
OC(COc1ccc(Cl)cc1Cl)COc1ccc(Cl)cc1Cl,0
CC(=NNC(=[Se])N1CCN(c2ccccn2)CC1)c1ccccn1,1
CC1(C)S[C@H]2CC[C@H]3OC(=O)C1N23,0
Cn1c(-n2[nH]c(=O)c(N=Nc3ccc(S(N)(=O)=O)cc3)c2O)nc(-c2ccco2)c(C#N)c1=O,1
COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3C(=O)N(C)C(Cc4ccc(O)c(c4)Oc4ccc(cc4)[C@@H]3O)C(=O)NC(C)C(=O)NC(C)C(=O)N2C)cc1,1
O=c1[nH]c(=NO)ccn1C1CCCO1,0
O=C(O)c1cc(N2CCCCC2)ccn1,0
O=C1C(N2CC2)=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1,1
C[C@@H]1CC(C)(C)NC2(CCCC2)N1,0
CN(C)CCCN1C(=S)N(CCCN(C)C)c2c3ccccc3nc3c([N+](=O)[O-])ccc1c23.Cl,1
CC12C(C(=O)O)C1(c1ccccc1)C2C(=O)O,0
O=c1[nH]c(O)c(C=NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)[nH]1,0
O=C(Oc1cccc(Cl)c1)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
CC(=O)C([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1,0
COc1cc2c(cc1OCCCCCOc1ccc(-n3c(C)nc4ccccc4c3=O)cc1)N=CC1CCCN1C2=O,1
C[C@]12CCC(=O)C=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C(=O)CO,0
COC(=O)C1=CCC[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CC(=O)c1ccoc1,1
O=C(CCc1ccco1)CCc1ccco1,0
O=C(CCl)OCc1ccc([N+](=O)[O-])o1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC=O)CC2,1
Oc1c(Cl)cc(Cl)c2cccnc12,1
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1c1ccccc1,0
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(O)C(NC(=O)[C@](C)(O)[C@@H](C)O)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
COc1cc2c(cc1OC)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC(=O)N2,1
O=C(C#Cc1ccccc1)C1=Cc2ccccc2OC1,1
NC(=O)c1cc(Cl)ccc1NC(=O)/C=C/c1ccccc1,1
NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CC1CCCC1)NS2(=O)=O,0
c1ccc2c(NCCCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1,1
O=S(=O)(Nc1ncccn1)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1,1
N#CC1C(=O)NN=C(N)C12CCCC2,0
CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.CCC(C)(C#N)N(C)C,0
NCCCN1CCCC1,0
CC(C)=CC=CC(C)c1c(O)c(O)c(C)c(Nc2ccccc2Cl)c1O,1
O=C(O)c1ccccc1C(=O)OO,0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O.[Na+],1
C[C@@]1(c2ccccc2)CCC(=O)NC1,0
COc1c(C)cc2c(c1O)[C@H]1[C@@H]3[C@H]4SC[C@@]5(NCCC6=C5N[C@@H]5C=CC=C[C@@H]65)C(=O)OC[C@H](c5c6c(c(C)c(OC(C)=O)c54)OCO6)N3[C@@H](O)[C@@H](C2)N1C,1
CNc1ccc2c(c1)c1ccccc1n2C,0
Oc1ccccc1-c1ccccc1,0
CCN(CC)CCCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23,1
O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21,1
CCc1ccccc1NC(=O)N1CCOCC1,0
O=[N+]([O-])c1ccc(F)cc1,0
CC(C)(C)C(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-],1
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(O)c(C(=O)O)c1,0
COc1cc2c(C=C3C(=O)Nc4cc(C)c(O)cc43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C,1
CCc1ccc(CCCC(=O)O)cc1,0
CC(C)(Cl)C1CC=C(CC(Cl)(Cl)Cl)CC1,0
COc1cc(CCN)c2c(c1OC)SSSSS2.O=C(O)C(F)(F)F,1
Cc1ccccc1N=C1C(=O)Nc2ccccc21,0
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(OC(=O)CCC(=O)O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(OC(C)=O)CO[C@H]4C[C@H](OC(=O)CCC(=O)O)[C@@]3(C)C1=O)C2(C)C,1
CSc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1,0
CC(=NNC(=S)N1CCCCCCCCCCCC1)c1ccccn1,1
C[C@@H](c1ccccc1)N1C[C@](C)(c2ccccc2)N(O)[C@@H](c2ccccc2)[C@@H]1C,1
CCCCCCCCCCCCCCCCOc1ccc(-c2cc(Cl)c3cc(S(=O)(=O)F)ccc3n2)cc1S(=O)(=O)F,0
COc1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2CCCN.Cl,1
N=c1c2c(ncn1N)Oc1c(c(-c3ccccc3)nn1-c1ccccc1)[C@H]2c1ccc(Cl)cc1,1
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1
CC(C)COC(=O)CO[N+](=O)[O-].Cn1c(=O)c2[nH]cnc2n(C)c1=O.[Na+],0
O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,1
FCOC(C(F)(F)F)C(F)(F)F,0
CCCCCCCCCCCCCCCC[N@@+](C)(CCO)Cc1c[nH]cn1.[Cl-],1
O=P(O)(O)OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C1O,1
O=[N+]([O-])c1ccc2c3c1[C@H]1O[C@H]1c1cccc(c1-3)[C@@H]1O[C@H]21,1
Fc1ccc(NC(=S)N/N=C\c2ccccc2Cl)cc1,0
CC(=O)OCCSCCOC(C)=O,0
CC(C)(CN1CCCCC1)C(=O)C[C@H](SCCS(=O)(=O)O)c1ccc(Cl)c(Cl)c1,1
CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2CC1C(=O)NC(C)(C)C,1
CC(C)/C(Cl)=N/OC(=O)Nc1ccc(C#N)cc1,1
COc1nc(N)c(C=O)c(=O)n1C,0
CC(C)(C)c1cc(C(=O)C=Cc2ccc(O)c(O)c2O)cc(C(C)(C)C)c1O,1
CCCCCCCCCCCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1COCCN1CCCC1,1
Cc1ccc(S(=O)(=O)O)c2ccccc12,0
COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c(OC)c1,1
Cc1ccccc1NC(=S)NN=C(c1ccccc1)c1ccccn1,1
CC(=NN=C(N)N)c1ccc(N)cc1.Cl,0
c1ccc(-n2nnnc2-c2cccc3ccccc23)cc1,1
CCC[Sn+2]CCC.CCC[Sn+2]CCC.O=C([O-])Cc1ccc(F)cc1.O=C([O-])Cc1ccc(F)cc1.[O-2],1
O=C1OC(=O)C2=C1CCCC2,0
S=C1SCCN1Cc1ccccc1,0
O=C(O)CC1(CC(=O)Nc2nccs2)CCCCC1,0
CC(C)(C)c1ccc2c(c1)CNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCc2cc(C(C)(C)C)ccc2OC1,1
NS(=O)(=O)c1ccc(N=Nc2ccc(=O)[nH]c2O)cc1,0
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O.[Na+],0
O=C(O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1,0
CCC(CC)C(=O)O,0
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C(C)C)OO[C@@H](O4)[C@]34O[C@@H]4C[C@H]21,1
O=C(Nc1ccc(F)c(F)c1)c1n[nH]c(=O)c2ccccc12,0
CCN1c2ccccc2C(Cl)(c2ccc(N(C)C)cc2)c2ccccc21,1
O=c1[nH]nc(-c2n[nH]c(=O)o2)o1,0
CCCCCC(=O)N1CCCC1,0
Brc1ccccc2cc(-c3ccccc3)nc1-2,1
O=C(CCC1CCCCC1)OCCCl,0
Cc1ccc(C(=O)O)c(C(=O)O)c1,0
CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@H]1C,1
NCCCN1CCOCC1,0
CC(C)c1ccc(C(c2ccc(OCC(=O)[O-])cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1.[Na+],1
O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1,1
COC(=O)c1ccc(C)cc1CC1Cc2ccc(C)cc2C1=O,1
CCCc1cc(=O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2[nH]1.CS(=O)(=O)O,1
CS(=O)(=O)Nc1ccccc1N,0
CC(C)CO[C@H]1OCCC[C@H]1[C@@H](OCC(C)C)C(C)C,0
CCCCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1,0
CCNC(=O)OCC,0
CN(C)CCNC(=O)Cn1c2c(c3c(O)cccc31)C(=O)c1ccccc1-2,0
O=S(=O)(O)c1cccc(S(=O)(=O)O)c1.[Na+],0
Cc1cccc(Oc2ncccc2[N+](=O)[O-])c1C,0
COC(=O)c1ccc(CCc2cc(O)ccc2O)cc1,1
O=C(O)C(Cl)(Cl)CCl,0
O=C(C(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,0
CN(C)Cc1cc(OCc2ccccc2)cc(CN(C)C)c1O,0
Cc1ccc(C(=O)NC2C(=O)NC(C(C)O)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(C(C)O)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)c1=N2,1
NC(=O)N1CCCCC1,0
CCN(CC)c1ccc(N=C2C=C(Cl)C(=O)c3ncccc32)c(C)c1,1
CC(=NNC(=S)N1CCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCC2)n1,1
CCOc1ccccc1C=C(C#N)C#N,0
O=c1cc(SCc2ccccc2)[nH]cn1,0
CSc1ccc2c(c1)c(CCN)c(C)n2Cc1ccccc1Cl.Cl,1
COc1ccc(-c2c(-c3ccccc3O)n[nH]c2N)cc1,0
O=C1NC(=S)S/C1=C\c1cccs1,0
COc1ccc2ccc(OC)cc2c1,0
O=[N+]([O-])c1c(O)c(CNCCCO)cc(CNCCCO)c1O,0
CCN1C(=O)NC(=O)[C@@](CC)(NC(=O)c2cc(F)c(F)c(F)c2F)C1=O,0
CCCOC[C@H](O)c1ccccc1,0
CC1=NNC(=O)C1=Cc1ccccc1Cl,0
COc1cc2c(cc1OC)C(=O)/C(=C/c1cc(Cl)cc(Cl)c1)C2,1
CC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O.[Na+],0
CC(=O)Nc1ccc(OC(C)=O)cc1,1
Cl.N=C(N)N/N=C(/c1ccccc1)c1ccccc1F,1
Nc1ccc(OCc2ccccc2)cc1,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(Br)cc2)cc(CN(C)C)c1O.Cl,1
O=S(=O)(OCCCl)c1ccc(Cl)c(Cl)c1,0
N#CC(C#N)=Cc1c(-c2ccccc2)[nH]c2ccccc12,1
Fc1ccc(NC(=S)NN=C(c2ccccc2)c2ccccc2)cc1,0
CCOC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)OCC,0
Cl.O=C(CCCN1CCC(Nc2ccccc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1,1
CCCCCCCCNc1cc2c3c(c1)CCCN3CCC2,1
O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-],1
Cc1cc2c(cc1Cl)Sc1nnc(Nc3ccccc3)n1S2(=O)=O,1
CCOC(=O)c1c2c(c(C)n1C)-c1ncncc1CC2,0
COc1ccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2)cc1,1
Oc1c(Br)cc(Br)c2cccnc12,1
CC(C)C1C=C2CCC3C(C)(CN)CCCC3(C)C2CC1,1
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1,1
COc1cccc(C(=O)C(=O)c2cccc(OC)c2OC)c1OC,0
COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](NC(=O)Cc3ccc(O)c(O)c3)CC[C@@H]12,1
Nc1nc(N)c2c(ccc3[nH]ccc32)n1,1
COC(=O)C1=C(C)N=C(CF)C(C(=O)OC)[C@@H]1c1cccc2c(=O)c3ccccc3oc12,1
O=C1N=c2ccccc2=C1c1[nH]c2ccccc2c1NOCCCO,1
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCCC[C@H]67)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32.COS(=O)(=O)O,1
C1OC2COCOC2C2OCOCC2O1,0
CCOC(=O)C(NC(=O)c1ccccc1)C(=O)OCC,0
CCOC(=O)N1c2ccccc2N(C(=O)OCC)C1CC(=O)/C=C/c1ccccc1,1
O=C1C(c2ccccc2)=C(c2ccccc2)C1(Cl)Cl,1
c1ccc2c(c1)-c1ccccc1C2N1CCOCC1,0
C/C=C\[C@H]1OC[C@](CC)(CCCC)CO1,0
Clc1ccccc1CN1CCCC1,0
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(N(CCC#N)CCC#N)cc1,0
COc1c(/C=C/C(C)(C)O)cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1CC=C(C)C,1
C(=C1c2ccccc2-c2ccccc21)c1ccncc1,1
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCOc2ccccc2)c1,0
Nc1cc[n+]([O-])cc1CCc1ccccc1,0
COc1ccc(C(=O)CCC(=O)O)cc1F,0
Cc1cc(C)c2c(c1C)C(=O)CCC2,0
O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl,0
Cc1cccc(NC(=O)O/N=C(\Cl)C(C)C)c1,1
CC(=O)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1,0
COc1cc(CNc2c3ccccc3nc3ccccc23)cc(OC)c1OC,1
CC(=O)CSc1nc(-c2cc3ccccc3o2)cc(-c2ccc(Cl)cc2)c1C#N,0
CC(C)(C1CCC(O)CC1)C1CCC(O)CC1,0
C[C@H](C#N)N1CCN(c2ccc(Cl)cc2)CC1,0
CCOC(=O)C(C#N)C(c1ccc2c(c1)OCO2)N(CCO)CCO,0
C[C@@H]1CC(=O)CC[C@@H]1C,0
Clc1ccc(Cl)c2ccccc12,0
O=c1cc(C=Cc2ccc(O)c(O)c2)cc(C=Cc2ccc(O)c(O)c2)o1,1
COc1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(OCCN6CCCC6)ccc5[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC,1
N#CC(=Cc1cc(Br)cc(Br)c1O)C(N)=O,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](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)CC[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,1
CCOC(=O)/C(C#N)=C\c1ccco1,0
CCCCCCCCN1C(=O)c2ccccc2C1=O,0
O=c1c(-c2ccccc2)c[nH]c2cc([N+](=O)[O-])c(C(Cl)=Cc3ccccc3)cc12,1
Cc1nc2cc3c(=O)n(C)cnc3cc2n1Cc1ccccc1,0
CN=CC(=O)Nc1ccc2c(O)c3cc(NC(=O)CNC)ccc3c(O)c2c1,1
ON=C1C(=NO)c2cccc3cccc1c23,1
CC(C)[C@@H]1CC[C@@H](C)[C@H](SCCO)C1,0
Cn1c(-n2[nH]c(=O)c(N=Nc3ccc(S(N)(=O)=O)cc3)c2O)nc(-c2ccccc2)c(C#N)c1=O,0
CCOc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-],1
COc1cc2c(cc1OC)C(SC)C(=O)N(Cc1cccc(OC)c1OC)CC2,1
COC(=O)C1=C(OC(=O)c2ccc(Cl)cc2)C(C(=O)OC)[C@@H]2C[C@@H](c3ccccc3Cl)C(C(=O)OC)[C@@]1(O)C2C(=O)OC,1
CC1(C)CC(N2CCN(CCO)CC2)=CC(=S)N1,0
CC[C@]1(c2ccccc2)NC(=O)NC1=O,0
CCOC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0
O=C1C(CCl)(CCl)CCC12CN=C(Cl)C2,0
CCOC(=O)N1CCC(N[C@@H]2c3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)C3C(=O)OC[C@@H]32)OCO4)CC1,1
Cc1cccc(NC2(C#N)CCN(Cc3ccccc3)CC2)c1,0
CC(=NO)c1ccc(Nc2c3ccccc3nc3occc23)cc1,1
O=Nc1c(O)[nH]c2ccc(Cl)c(Cl)c12,0
Cc1nc2ccc(N)nc2nc1C,0
CCOC(=O)C(C)(C)CCc1ccncc1,0
COc1ccc2nc3[nH]nc(N)c3nc2c1,1
COc1cc2c(cc1OCCCCCCN1CCN(c3ncnc4ccccc34)CC1)N=CC1CCCN1C2=O,1
O=C1C(Cl)=C(N2CCN(C3=C(Cl)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc21,1
O=C(CCBr)OCCc1ccccc1,0
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.[Cl-].[H+],0
O=[N+]([O-])c1ccc(OCCCCOc2ccccc2)c(Cl)c1,0
COc1cccc(OCC(O)CN2CCN(c3cccc(C)c3)CC2)c1,0
CN(N=O)C(=O)c1ccccc1C(=O)N(C)N=O,0
CC(C)NCc1ccc2c(c1)OCO2,0
O=S(=O)(O)OCCOc1ccc(S(=O)(=O)c2ccc(OCCOS(=O)(=O)O)cc2)cc1,0
Nc1nc(SCc2ccccc2)c2ncn(CCO)c2n1,0
Clc1nc(Cl)c(Nc2nc[nH]n2)nc1Cl,1
CC1(C)O[C@]1(C#N)c1ccccc1,0
COc1ccc(NC(=O)N(O)C2(C#N)CCCCC2)cc1,0
O=C1CC2(C(=O)O1)c1ccccc1-c1ccccc12,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4,1
N#C[C@@H](CCc1ccccn1)c1ccccc1,0
CN(C)Cc1cc(C(C)(C)c2ccccc2)ccc1O,0
CCCC[Sn+2]CCCC.O=C([O-])c1cc(F)ccc1F.O=C([O-])c1cc(F)ccc1F,1
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(Nc3ccccc3)n2)cc1,1
NC(=O)c1cc2ccncc2c2ccccc12,0
Cc1cc2c(cc1CCl)C(C)(C)CCC2(C)C,0
COCCNc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O,1
O=c1c(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1=O,1
O=C(O)C1C2CCC(O2)C1C(=O)N1CCCCC1,1
Cl.O=C(CCN1CCOCC1)C(=Cc1ccccc1)C(=O)CCN1CCOCC1,1
O=c1[nH]c2c(Nc3c4ccccc4nc4ccccc34)c([N+](=O)[O-])c(Nc3c4ccccc4nc4ccccc34)c([N+](=O)[O-])c2[nH]1,1
CSc1ncnc2c1ncn2CO,0
CNC(=O)N(C1=NC[C@@H](C)S1)c1ccc(C)c(C)c1,1
O=C(C(Br)C(Br)c1ccccc1)C(Br)C(Br)c1ccccc1,1
COC(=O)N1c2ccccc2C=CC1C#N,0
Oc1c2c(c(O)n1/N=C/c1ccc3c(c1)OCO3)[C@H]1C=C[C@@H]2O1,0
CN(C)Cc1cc(N=Nc2ccc(Cl)cc2)cc(CN(C)C)c1O.Cl,1
CCCC1CCCCC12C(=O)NC(=O)NC2=O,0
Cc1ccccc1NC(=O)O/N=C(\Cl)C(C)C,1
Cc1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23,1
c1ccc(-c2ncnc3ccccc23)cc1,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3ccccc3[N+](=O)[O-])c21,1
CCN(CC)CC(C)Nc1ccc(C)c2sc3ccccc3c(=O)c12,1
CC(=O)O[C@@H](C)C1=C2C(=O)c3ccc(-c4ccc5c(c4O)C(=O)C4=C(C5=O)C([C@H](C)OC(C)=O)[C@](C)(O)CC4=O)c(O)c3C(=O)C2C(=O)C[C@@]1(C)O,1
O=C(O)CCN(CCC(=O)O)S(=O)(=O)c1ccccc1,0
Cc1cc2c(C)c3cc(C)c(N)cc3nc2cc1N,1
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0
NC(=O)C(O)=NO,0
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21.[Cl-],1
O=C(CCCCCCCCCCBr)OCc1ccccc1,0
O=C(NC1CCCCC1)N(Cc1nnc2n1CCCCC2)c1ccc(F)cc1,0
Cc1nn(-c2ccccc2)c2c1CC(=O)Nc1ccccc1-2,1
Cc1cc(S(=O)(=O)O)ccc1N,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.[K+],0
CN(C)CCCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs/c1=N\c1ccccc1,1
Cl.O=C(N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,0
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1,0
CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)C(C)(C)C,1
O=C(O)c1cc2c(s1)C(=O)c1sccc1C2=O,1
O=C(C=C(c1ccccc1)c1c(O)c2ccccc2oc1=O)CC(=NO)C(=O)Nc1c(Cl)c(O)c2ccccc2c1O,1
CC(=NNC(=O)c1sc(=S)n(C)c1N)c1ccc[nH]1,0
C#CCn1c(=O)ccn(/C(=C\C(=O)OCC)C(=O)OCC)c1=O,1
O=C1c2cccnc2-c2nccc3c2c1nc1ccc(Br)cc13,1
O=S(=O)(O)c1cccc2cccc(Cl)c12,0
CCn1c2ccccc2c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc21,1
COc1cccc([C@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@@H]2C)OCO4)c1O,1
CCc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12.Cl,1
Nc1nc(SCc2cccnc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,0
O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C/c1ccccc1,0
COc1cc(-c2cc(-c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc5ccc(Cl)cc5)n4)cc3)no2)cc(OC)c1OC,1
CCC(=O)OC1CCCCC1C(C)CC,0
COP(=O)(CC(=O)C1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)OC,1
COc1nc(=O)cc(NC=O)[nH]1,0
S=c1[nH]nnc2ccccc12,0
C[C@H](NC(=O)c1snnc1C1CC1)c1c(F)cccc1Cl,0
CCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1,1
COc1cc2c3c(n(CCCN4CCNCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
CSc1cnnc2ccccc12,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@H](O)C[C@@H]1O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
CC(=O)Nc1ccc2nc3ccc(NC(C)=O)cc3[n+](-c3ccccc3)c2c1.[Cl-],0
COc1cccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)c1,1
C/C=C(\C)C(=O)O[C@@H]1C(C)=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@H](OC(=O)CCCC)C[C@@](C)(OC(C)=O)[C@@H]2[C@H]1OC(=O)CCCC,1
N#CCCNCC(=O)O,0
Cc1ccc2c(=O)cc(-c3ccc(C)s3)[nH]c2n1,1
C[C@H]1OC(C)(Cc2ccccc2)O[C@@H]1C,0
CCOC(=O)Cn1cnc(C)c1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(Cl)cc3C(=O)c3ccccc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
COc1ccccc1NC(=S)NN=Cc1ccccn1,1
c1ccc2c(c1)N=C(c1cccc3ccccc13)CC(c1cccc3ccccc13)S2,1
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12,1
Cc1nc2[nH]c(=S)[nH]c(=O)c2nc1C,0
CN(CCO)Cc1ccccc1.Cl,0
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)N/N=C/c3ccc(OC)cc3)[nH]c(=O)c12,0
Cn1nc(C(=O)O)c(=O)n(C)c1=O,0
CN1CNC(=O)NC1,0
C=c1c(O)c2c(c(O)c1NC)=C(COC(N)=O)C1(OC)C3NC3CN21,1
CC(=O)N1[Se][C@@H]2C(NC(=O)c3ccc(Br)cc3F)C(=O)C=C3C[C@](C)(O)C=C(CC(=O)C(NC(=O)c4ccc(Br)cc4F)[C@@H]2[Se]1)O3,0
O=C(NC(c1ccccc1)C(O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1,1
C=C(O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@]1(C)O)/C(C)=C/C,1
COc1ccccc1NC(=S)N(C)C,0
O=C(O)c1ccc(P(=O)(O)O)cc1,0
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(F)cc1.[Cl-],1
O=C(O)C=CC(=O)Nc1ccccc1,0
C#CCC(C(=O)OCC)C(=O)OCC,0
Cc1ccc(C(SCC(N)C(=O)O)(c2ccccc2)c2ccc(C)cc2)cc1,1
O=C(NCc1ccco1)c1ccc(C(=O)NCc2ccco2)cc1,0
O=C(O)c1ccc(Cn2cnc3c(=S)[nH]cnc32)cc1,0
CCN(CC)Cc1cccc(C)c1OC(=O)c1ccccc1,0
O=C1Nc2ccc(Br)cc2C1=NN1C(=O)C(=O)N(C2CCCCC2)C1=S,1
C=c1c(=Cc2oc3ccc4ccccc4c3c2O)c(=O)n(-c2ccccc2)n1C,0
c1ccc2c(c1)CN(C1CCCCC1)CO2,0
O=C(c1ccc(Cl)cc1Cl)N(Cc1cccnc1)C(=S)N(Cc1cccnc1)C(=O)c1ccc(Cl)cc1Cl,1
CCCC[Sn+2]CCCC.O=C([O-])c1cc(I)cc(I)c1[O-],1
O=c1cc(-c2cccc(O)c2)[nH]c2cc3c(cc12)OCO3,1
CC(=O)OC1=C2C(C)C(OC(=O)C(OC(=O)CCC(=O)[O-])C(NC(=O)c3ccccc3)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(OC(=O)CCC(=O)O)C3(C)C1=O)C2(C)C.[Na+],1
C=CCc1c(C)[nH]c(NC(C)=O)nc1=O,0
O=C(Nc1ccc(Cl)cc1)OCCN1CCOCC1,0
CCC1(C)CC(=O)NC1=O,0
Cc1ccc(NN=C(C(=O)c2ccc(Cl)cc2)c2nc(=O)cc(C)[nH]2)cc1,0
Cc1cc(C(=O)NN=C(NCc2ccccc2)c2cc(C)on2)no1,0
COc1cccc2c1c1c(n2CC(=O)NCCN(C)C)-c2ccccc2C1=O,0
COC(=O)CCC(NC(=O)C(C)NC(=O)CO[C@H]1[C@@H](O)[C@@H](OC(=O)CCNc2c3ccccc3nc3cccc([N+](=O)[O-])c23)O[C@H](OCc2ccccc2)[C@H]1NC(C)=O)C(N)=O,1
O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1O)[nH]c1ccccc12,1
C[C@]1(CCC(=O)O)C(=O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O,0
CC(=O)c1ccc(Br)cc1N=C1CC(=O)c2ncccc2C1=O,1
C=C1C[C@](Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,1
CCOc1ccc(NC(=O)OCC(C)C)cc1,0
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H]1O[C@H]1O[C@@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O,1
CS(=O)(=O)c1ncnc2[nH]cnc12,0
Cc1cc(C)c2c(n1)S(=O)(=O)N(CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)C(C(=O)c1ccccc1)C2=O,1
CC(=O)Nc1ccc([As](=O)(O)O)c(O)c1,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,0
CCCC(=NNC(=S)N1C[C@H]2CC[C@H](CC2)C1)c1ccccn1,1
Oc1ccc(-c2nc3ccccc3s2)c(O)c1,0
Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl,1
Cn1cc2c(c1)-c1[nH]c(=O)ncc1CC2,0
CN(C)CCCN(c1nc(C(Cl)(Cl)Cl)ns1)c1nc(C(Cl)(Cl)Cl)ns1,1
OCCSc1ccccc1,0
CC(=O)OC1CCCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O,1
COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1ccccc1C3=O.Cl,1
Nc1cc(SCc2ccc([N+](=O)[O-])cc2)ncn1,0
Cc1ccc2c(=O)cc(-c3cccc(F)c3)[nH]c2n1,1
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F,1
O=C1C=C(c2ccccc2)C(=O)C=C1O,0
O=[Se]([O-])[O-].[NH-]C1CCCCC1[NH-].[Pt+4],1
CC(=O)Cn1c(CN2CCN(C)CC2)nc2ccccc2c1=O,0
CCCN1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1,0
CCCC(=O)OC/C=C/c1ccccc1,0
CC(C)(C)c1cc(C(=O)C=Cc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1,1
Cc1[nH]c(N)nc(=O)c1C,0
CCCCCCCCCCCC(=O)N(C)CC(=O)O,0
COc1cc2nncc(SC)c2cc1OC,0
CN1CCCCC1CCN1c2ccccc2Sc2ccc(Cl)cc21,1
ClCCSc1c2ccccc2nc2ccccc12,1
CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl,0
CC(C)N(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C.CS(=O)(=O)O,1
CCCCCCCCCCCCCCCC[As](CCCCCCCCCCCCCCCC)SC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,0
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1,0
CCOC(=O)C(F)C(Br)C(=O)OCC,0
O=C(O)C(=C/C=C/c1ccccc1)C(=O)O,0
OCCN1CCN(CCO)CC1,0
C[C@@H](CC#N)N1CC1,0
Clc1ccc(C=NCCCN=Cc2ccc(Cl)cc2)cc1,0
CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](OC(C)=O)C[C@@H]3CC4(CC[C@@]32C)OOC2(CCCCC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@@]12C,1
O=c1[nH]c(=S)[nH]c(O)c1Cc1ccccc1,0
Cc1cccc(OC(=O)Cc2ccccc2)c1,0
Cc1cc(C)c(CCN(C)C)c(C)c1C,0
O=c1oc(=O)c2ccccc2c2ccccc12,0
CCCCN(CCCC)CC(O)c1ccc(OCc2ccccc2)c2ccccc12,1
C[C@@H]1CCCCN1N=Nc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1,0
CC(=O)O[C@]12CC(C(F)(F)F)(C(F)(F)F)O[C@@]1(OC(C)=O)CC(C(F)(F)F)(C(F)(F)F)O2,1
CC[C@H](c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)F,0
CC(=O)OCCN(CCOC(C)=O)CCOC(C)=O,0
CCCSCCC(C)(N)C(=O)O,0
COc1cc(CNCCO)cc(OC)c1,0
CCc1nc(Cl)nc(Cl)c1Cl,1
Nc1nc(N)c(N=O)c(N)n1,0
CC(C)NCC(C)(C)[N+](=O)[O-],0
C[C@H]1C[C@H](CO)[C@H](C)[C@H](C)C1,0
Cn1c2ccccc2c2c(-c3ccccc3)cc3c(c21)C(=O)C=CC3=O,1
CC(=NNc1nc2ccccc2[nH]1)c1cc2ccccc2cn1,1
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-],1
Cc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br,0
O=S(=O)(OCCOCCOS(=O)(=O)c1ccccc1)c1ccccc1,0
CCN(CCC(=O)C=Cc1ccc(Cl)c(Cl)c1)CCC(=O)C=Cc1ccc(Cl)c(Cl)c1.Cl,1
O=C(O)c1ccc(S(=O)(=O)c2ccccc2)s1,0
COc1ccc(CCN(CCC#N)C(=O)C(Cl)Cl)cc1,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)ccc1OCCN1CCCCC1,1
CCOc1ccc(NC(=O)Nc2cc(C(C)C)c(O)cc2C)cc1,0
CCP(=S)(CC)P(=S)(CC)CC,0
CC(C)CCC1(CCO)C(=O)NC(=O)NC1=O,0
CC(=O)Nc1ccc(C(=O)COc2ccc(/C=C3\CCc4ccccc4C3=O)cc2)cc1,0
CCOC(=O)C(Cc1cc(N)c(Oc2ccc(OC)cc2)c(N)c1)NC(C)=O,0
CCOC(=O)C(NC(=O)C(Cl)Cl)[C@@H](O)c1ccccc1,0
Cc1c(Cl)cccc1Nc1n[nH]c(=S)s1,0
CC(=NNC(=S)Nc1cccc(Cl)c1)c1cccc(C(C)=NNC(=S)Nc2cccc(Cl)c2)n1,1
CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1,0
CCCCCCCCCCCCc1ccc(OC(=O)OCCCC)cc1,0
CCCCCCCCCCCCCCCCNCC(O)CN,1
Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F,1
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C,0
O=C(O)/C=C\c1ccc2c(c1)OCO2,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)CC2,1
N#CCCC1(CCC#N)c2ccccc2-c2ccccc21,0
CCN(CC)C(=S)N=Nc1c(O)[nH]c2ccccc12,1
C=CCOc1c(CCC)cc(CCC)cc1C(N)=O,0
CN(C)CCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O.Cl,1
CO/N=C(\C)c1cccc(Nc2cc(-c3ccccc3)nc3c(O)cccc23)c1,1
O=C(Nc1cc(Cl)ccc1O)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1,1
COc1cccc(C=CC(=O)c2ccccc2)c1,1
CCN1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NCc1ccc(F)cc1)CC2,1
C=C1S/C(=N\c2c(C)cccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2,0
OCCSCc1cc2c(O)c(c1)Cc1cc(CSCCO)cc(c1O)Cc1cc(CSCCO)cc(c1O)Cc1cc(CSCCO)cc(c1O)C2,1
Nc1ncncc1-c1ccc(F)cc1,0
O=C1Nc2cccc3cccc(c23)NC1=O,0
COc1ccc2c(-c3ccc(O)cc3)c(Oc3ccccc3)c(=O)oc2c1,1
COC(=O)C#CC1(O)C=CC(=O)C=C1,1
Cc1ccc(OC(=O)c2ccccc2Cl)cc1,0
Cc1c(CCCl)c(Cl)n2c(nc3ccccc32)c1C#N,1
S=C(NCCc1ccccc1)Nc1ncccn1,0
O=[N+]([O-])c1ccc2c(c1)C(N1CCN(CCO)CC1)Cc1ccc(F)cc1S2,1
COc1ccc2nc3c(C)c4cc[nH]c(NCCCN(C)CCCNc5ccc6nnn7c8ccccc8c(=O)c5c67)c4c(C)c3c2c1.CS(=O)(=O)O,1
CCCCCCCC[Sn+2]CCCCCCCC.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NCc1cccc([N+](=O)[O-])c1)CC2,1
O=c1[nH]cc(I)cc1I,0
CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1,1
OC1(c2ccccc2)c2ccccc2Oc2ccccc21,0
O=C1NC(=O)C2(CCCC2)C(=O)N1,0
CCOc1ccccc1C=NN=Cc1ccccc1O,0
Cc1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)n1,0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N=C2C(=O)N(Cc3ccc(Cl)cc3Cl)C(=O)C2Cl)cc1,1
O=P(CCc1ccccc1)(c1ccccc1)c1ccccc1,0
Cc1cccc(I)c1,0
O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2,1
CC(=O)NCC[C@@H]1CN(C(=O)/C=C/I)c2ccccc21,1
c1ccc(Nc2ccc3ccccc3c2)cc1,0
NCC(CC(=O)O)c1ccc(Cl)cc1,0
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3ccccc3O)C2)cc1,1
O=c1cc(-c2cccc(O)c2)[nH]c2cc3c(cc12)OCO3,1
CCOC(=O)c1nn(C)c(=S)n(C)c1=O,0
Cc1c(CCCl)c(=O)n2c([nH]c3ccccc32)c1C#N,1
O=C1C[C@@H](Cl)c2c(Cl)sc(Cl)c21,1
NC(=O)C1(N2CCCC2)CCN(Cc2ccccc2)CC1,0
CC(=O)c1ccc(N=NN(C)C)cc1,0
NC(=O)C(CCCCN1CCCCC1)(c1ccccc1)c1ccccc1,0
C1CCC2(CC1)OCCO2,0
Cl.N=C(N)N/N=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sccn12,1
COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1O,1
Oc1oc(-c2ccccc2)nc1-c1ccccc1,0
c1ccc(C2OCCOC2c2ccccc2)cc1,0
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)N1,0
O=C(Nc1c(Br)cc2c(c1Br)Cc1ccccc1-2)C(F)(F)F,0
Cc1ccccc1N,0
O=c1c2cc(O)ccc2n2nnc3ccc(NCCNCCO)c1c32,1
C=CCC1(CCC)C(=O)NC(=O)NC1=O,0
Cc1cc(N)cc(C)c1-c1c(Br)cc(N)cc1Br,1
C=C1OC(=O)C(=O)N1CC(=O)O,0
COc1ccc2oc(S(=O)(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1,1
NCCCCCCCCCCN,0
CC(C)=CCCC(C)C1C(=O)C(=O)C(C)C2=NC(c3ccccc3)C(=O)O[C@@H]21,1
Nc1ccc2c(c1)C(=O)c1ccc(Cl)cc1-2,0
N#Cc1ccc(Oc2ccc3ccc(=O)oc3c2)cc1,0
CN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1[N+](=O)[O-])O2.Cl,1
COc1ccc(Cc2ccc(OC)c(OC)c2)cc1OC,0
COc1ccccc1C(=O)Cc1ccccc1,0
COC(=O)C(C)NC(=O)Cc1ccccc1,0
NNC(=O)CNc1ccc2ccccc2c1,0
Cc1[nH]nc(C(F)(F)F)c1N=NN(C)C,1
CCC1(CC)COP(=O)(OCCn2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)OC1,0
CCOCCC(CC)C(=O)O,0
Nc1nc(N2CCCCC2)c2ncn(C3OC(CO)C(O)C3O)c2n1,0
O=C1C(=Nc2ccc(S(=O)(=O)c3ccc(N=C4C(=O)c5ccccc5C(=O)C4Cl)cc3)cc2)C(Cl)C(=O)c2ccccc21,1
CCC(C)C(N)C(=O)NN=Cc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl,1
O=c1[nH]c2cc(Cl)ccc2c(CCl)c1Cl,0
Oc1c(C=CCCCCCCC2CCCCC2)c(O)c2ccccc2c1O,1
COc1ccc(NC2Oc3cc4c(cc3C(c3cccc(OC)c3OC)C2C)OCO4)cc1,1
Nc1ccc(-c2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O,0
CCOC(=O)C(=NNc1nn[nH]n1)C(C)=O,0
O=[N+]([O-])c1ccc(NN=Cc2cccc(O)c2)nc1,0
O=C(Nc1cccc2c1[nH]c(=O)c1ccccc12)C(F)(F)F,0
Cc1ncc([N+](=O)[O-])n1C,0
C[C@@H](N=C1CC(=O)c2cccnc2C1=O)[C@@H](O)c1ccccc1,1
COc1cc(N=Nc2cccc(S(=O)(=O)O)c2)ccc1NC(=O)Nc1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1.[Na+],0
FC(F)(F)c1cccc(-c2nc3nc(Cl)c(Cl)nc3[nH]2)c1,1
CCOC(=O)N1[C@@H]2CC[C@@H](C2)N1C(=O)OCC,0
CC(C)OC(=O)CO,0
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O,0
C=c1[nH]n(C(=O)c2ccccc2O)c(=O)c1=Cc1ccccc1O,1
Nc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-],0
CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc([N+](=O)[O-])cc4c(=O)c1c23,1
O=C(C[C@@](O)(C(F)(F)F)C(F)(F)Cl)C[C@@](O)(C(F)(F)F)C(F)(F)Cl,1
COc1ccc(-c2cn(C)c3c2-n2cccc2C3=O)cc1O,1
C[C@H]1Cc2cccc3ccc(=O)n(c23)C1,0
COc1ccc(C(=S)N2CCOCC2)cc1,0
CCCCCCCCCCCCCCCCCC(=O)NC[n+]1ccccc1.[Cl-],0
Cc1cccc2nc3c(C(O)=NCCN(C)C)cccc3cc12.Cl,1
C=CCNc1ccccc1C,0
CCCCSc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1,0
COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC.Cl,1
CC(C)c1ccc(OC(=O)N(C)C)cc1,0
C[Hg+].N#CN=C([NH-])N,1
CSc1ncnc2c1ncn2C1OC(CO)C(O)OC1O,1
Cn1ncc2c(=O)[nH]nnc21,0
COC(=O)C(O)(c1ccccc1)c1ccccc1,0
COc1cc2c(C=C3C(=O)N(C)c4ccc(O)cc43)c(Cl)[nH]c2cc1C,1
CCCCOC(=O)c1[nH]cnc1N=NN(C)C,0
Cl.Nc1ncnc2c([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c[nH]c12,1
COc1ccc(-c2cc(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1,1
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1,0
CO[C@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)NN=Cc3ccncc3)[nH]c(=O)c12,0
CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O,1
COc1c2c(cc3nc4ccccc4nc13)CC[C@H](NC(C)=O)c1cc(=O)c(SC)ccc1-2,1
CCCC[Sn+2]CCCC.O=C([O-])c1cccc(F)c1.O=C([O-])c1cccc(F)c1,1
O=C(c1ccccc1)C(CN1CCCCC1)c1ccccc1,1
CCOCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,1
COc1ccc(-n2ccnc2-c2cc(OC)c(OC)c(OC)c2)cc1,1
COC(=O)C1=NNC(=O)C(C#N)C(c2cc3ccccc3o2)=C1,0
O=c1[nH]c2ccc([N+](=O)[O-])cc2c(=O)o1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3ccc(N)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CCN(Cc1ccc(S(=O)(=O)O)cc1)c1cccc(C)c1,0
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.[Cl-].[H+],1
Cc1cc(C)c(-c2c(O)c(Br)c(-c3c(C)cc(C)c(Br)c3C)c(O)c2Br)c(C)c1Br,1
CCOC(=O)C1(C(=O)OCC)CCCCC1C,0
Cc1cnc2nc(-c3ccc(N(C)C)cc3)cn2c1,0
CCCCCCCCCCCCCCCCCC(=O)NCO,0
C=CCC(Cc1ccccc1)C(N)=O,0
Br.O=c1c(O)cccn1CCCNCCCn1cccc(O)c1=O,0
O=C1C[C@@H]2CC1C(C(=O)O)C2C(=O)O,0
C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)[C@@H]3O[C@H]3[C@@](C)(O)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12,1
CC[C@@H]1C(c2ccccc2)=CCC(C(=O)O)[C@H]1C,0
C=c1nc2c(O)c(O)c3c(C(=O)OC)c(=C)[nH]c3c2nc1C,1
c1ccc([C@@H](CN2CCCCC2)Oc2ccccn2)cc1,0
CCNC(=O)CCCC(=O)OC,0
O=C(O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O,0
CSCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCSC)c2c1C(=O)c1ccccc1C2=O,1
CCCCCCCCCCCCCCCCCCCCBr,0
C=C1C(=O)[C@@]23C[C@@H]1CC[C@@H]2[C@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)C=CC2=O,1
COC1=CC(=O)c2nc(Cl)ccc2C1=O,1
CCCC(C=CC(C)C)(C(=O)OCC)C(=O)OCC,0
C(=C/c1cccnc1)\c1ccncc1,0
Cc1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)cc1,0
CC(=O)CC(=O)OC1CCCCC1,0
CC(=O)OC[C@H]1O[C@H](N2C(=S)C(C#N)[C@H](c3ccco3)C=C2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,1
O=P1(N(CCCl)CCCl)Oc2ccc(Cl)cc2Sc2c(ccc(Cl)c2Cl)O1,1
CC[C@@]1(C2=CCCCC2)C(=N)NC(=O)NC1=O,0
CC(C)C1=CC23CCC4C(C)(C(=O)[O-])CCCC4(C)C2CC1c1c3c(O)n(-c2ccccc2-n2c(O)c3c(c2O)C24C=C(C(C)C)C3CC2C2(C)CCCC(C)(C(=O)O)C2CC4)c1O.[Na+],1
C[C@H](O)c1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
CC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CCC4[C@@H](C)C[C@H]3C=C(C)C)O[C@H]1C,1
CN(C)CCCNc1nnc(NCCCN(C)C)c2c(=O)c3sccc3[nH]c12.Cl,1
COc1cc2c(cc1[N+](=O)[O-])C(=O)C(Br)(Br)CCC2,1
COc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1OC,0
CNC(=O)Oc1ccc(C(=O)OCCO)cc1,0
COc1cc2c3c(n(CCCn4cccn4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,1
CCOc1ccc(N=Cc2ccccc2O)cc1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NCc1ccc(C#N)cc1)CC2,1
NNC(=O)C(=O)NN,0
COc1cccc(-c2cc(=O)c3cc(N4CCN(C)CC4)ccc3[nH]2)c1,1
CCOC(=O)C(=Cc1ccccc1Cl)C(=O)OCC,1
O=[N+]([O-])c1ccc(NN=C2c3ccccc3Cc3ccccc32)c([N+](=O)[O-])c1,1
CCCCS(=O)(=O)Cl,0
C1=C(c2ccccc2)C(c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21,1
CCOC(OC(C)=O)C1C=CC(C)N(c2ccc([N+](=O)[O-])cc2)O1,1
COC(=O)C1CN(Cc2ccccc2)C(=O)C1=O,0
COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1,0
CCOC(=O)c1csc(NC(=O)COc2ccc(/C=C3\Oc4cc(OC)ccc4C3=O)cc2)n1,0
COc1cc(C=C2CN(C)C(=O)C2=O)ccc1O,0
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C2NP(=O)(N(CCCl)CCCl)OC1C2O,1
CCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCC,1
COC(=O)c1cccc(NC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)c1,1
CC(C)=CC=CC(C)c1c(O)c(O)c(C)c(O)c1Nc1ccccc1,1
C[C@@H]1CC[C@H]2C(COC/C=C/COCC3=C(C(F)(F)F)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4,1
COC(=O)c1cc2c3c(cc(N(C)C)c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)CC3CCl,1
CCN(CC)CCCNc1cccc2c(OC)ccnc12,0
O=[N+]([O-])c1ccc(NN=Cc2ccccc2S(=O)(=O)O)nc1,0
CCn1c(-c2ccc(N=NNc3ccc(-c4n[nH]c(=S)n4CC)cc3)cc2)n[nH]c1=S,1
CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1ccccc1-2,0
O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1,0
CC(C)NC1(C(N)=O)CCNCC1,0
CC1=NC(=S)N[C@H](c2ccccc2Cl)C1C(=O)Nc1ccc(Cl)c(Cl)c1,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)C(N)CC(C)C.Cl,1
CC(C)OC(=O)c1cccnc1,0
CCN(CC)CCn1[nH]c2c3ccc(=O)cc3sc3c(NCCN)ccc1c32.Cl,1
CC(=O)NCc1c(C)c(C)c(CNC(C)=O)c(C)c1C,0
COc1cnc(SC)nc1Nc1ccc(C#N)cc1,0
CCCCN(C(C)=O)c1ccccc1,0
CCC[C@H]1O[P@](=O)(Nc2ccccc2)OC[C@@H]1CC,0
Cc1cc(N(C[C@@H](C)Br)C[C@@H](C)Br)ccc1/N=N/c1ccccc1C(=O)O,1
CC[C@]12C=CCN3CC[C@]4(C(=Nc5ccccc54)C(C(=O)OC)[C@@H]1Nc1ncnc4c1ncn4[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@@H]32,1
CN(CC(=O)C(C(N)=O)c1ccccc1)c1ccccc1,0
CCCC1CCCCN1C(=O)OCC(C)C,0
COc1ccc(OC)c(C=C[N+](=O)[O-])c1,1
CC[C@@]1(Cc2ccccc2)C(=O)NC(=S)N(C)C1=O,0
O=C(CC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1,0
O=C1c2ccccc2C(=O)c2c1ccc1conc21,1
O=C1C=C[C@@H]2c3c(c(O)n(-c4ccccc4)c3O)C1N2Cc1ccccc1,1
CC(=O)OCCC/C(=C/c1cc2ccccc2c2ccccc12)[N+](=O)[O-],1
O=C1C=C(N2CCN(CCOCCO)CC2)C(=O)c2c(O)ccc(O)c21,1
CCN(CCCl)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2)c1.Cl,1
COC[C@@H]1O[C@@H]2O[C@H]3[C@@H](O)[C@H](O)[C@@H](O[C@H]4[C@@H](O)[C@H](O)[C@@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](O[C@H]6[C@@H](O)[C@H](O)[C@@H](O[C@H]7[C@@H](O)[C@H](O)[C@@H](O[C@H]8[C@@H](O)[C@H](O)[C@@H](O[C@H]1[C@@H](O)[C@@H]2O)O[C@H]8COC)O[C@H]7COC)O[C@H]6COC)O[C@H]5COC)O[C@H]4COC)O[C@H]3COC.O=Cc1ccccc1,0
NCC1C2CCC(O2)C1CO,0
Cn1cc(-c2ccc(-c3cn(C)c4ccc(Cl)cc34)[nH]2)c2cc(Cl)ccc21,1
CC1=CNC(=O)CC(C)(C)C1,0
O=C(/C=C/c1ccco1)c1ccc(Cl)cc1,0
Cc1cc(N=C2C=C(Cl)C(=O)C(Cl)=C2)ccc1O.[Na+],0
O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl,1
CCC1(C[C@@H](C)c2ccccc2)C(=O)NC(=O)NC1=O,0
Cc1nc2[nH][nH]c(=O)c2nc1C,0
C=C1C(=O)CC23CCCC12CC(OCOC)C3,1
CCOC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]3[C@]2(C)CCC1=O,0
S=C(Nc1ccccc1)N1N=C2c3ccccc3CCC2C1c1ccccc1,1
O=[N+]([O-])C1C(c2ccccc2)C12c1ccccc1-c1ccccc12,1
CCOC(=O)C1=C(C(=O)OCC)c2ccc(OC)c(OC)c2C1,0
Nc1ccc(O)c(S(=O)(=O)O)c1,0
Cl.O=C1/C(=C\c2ccc3c(c2)OCO3)CCC1CN1CCOCC1,1
O=[N+]([O-])c1ccc(N(CCO)CCO)c2c1no[n+]2[O-],1
N#Cc1ncn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c1N,0
CC(=O)C1CC[C@H]2[C@@H]3CC(C)=C4CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C,0
COc1cc2c3c(n(CCCN4CCC[C@@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
O=[N+]([O-])c1ccc([C@@H]2CC(c3ccccc3Cl)=Nc3ccccc3S2)cc1,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3cccc(N=[N+]=[N-])c3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(COC(C)=O)O[C@@H]3C[C@H]12,1
CCN(CC)Cc1cc2[nH]c3c4ccc(Cl)cc4ncc3c2cc1OC,1
CCCC[Sn+2]CCCC.CSc1ncccc1C(=O)[O-].CSc1ncccc1C(=O)[O-],1
CC(C)OCc1c[nH]nn1,0
Cc1ccc(S(=O)(=O)NCCCNC(=O)OCc2ccccc2)cc1,0
Nc1ccn([C@H]2O[C@H](CO[PH](=O)O[C@H]3[C@@H](CO[PH](=O)O[C@H]4[C@@H](CO[PH](=O)O[C@H]5[C@@H](CO[PH](=O)O[C@H]6[C@@H](CO[PH](=O)O[C@H]7[C@@H](CO[PH](=O)O[C@H]8[C@@H](CO[PH](=O)O[C@H]9[C@@H](CO[PH](=O)O[C@H]%10[C@@H](CO[PH](=O)O[C@H]%11[C@@H](CO)O[C@H](n%12ccc(N)nc%12=O)C%11(F)F)O[C@H](n%11ccc(N)nc%11=O)C%10(F)F)O[C@H](n%10ccc(N)nc%10=O)C9(F)F)O[C@H](n9ccc(N)nc9=O)C8(F)F)O[C@H](n8ccc(N)nc8=O)C7(F)F)O[C@H](n7ccc(N)nc7=O)C6(F)F)O[C@H](n6ccc(N)nc6=O)C5(F)F)O[C@H](n5ccc(N)nc5=O)C4(F)F)O[C@H](n4ccc(N)nc4=O)C3(F)F)[C@H](O)C2(F)F)c(=O)n1,1
CCOc1ccc2sc(NS(=O)(=O)c3ccc(N)cc3)nc2c1,0
CC1CN=C(NS(=O)(=O)c2ccccc2)N1,0
CN(C)CCCSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
COC(=O)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1,1
COc1ccc(Nc2c(O)c3c(c4ccccc24)OC(C)(C)C=C3)cc1,1
COCCOC(=O)CCCCCC1CCCCC1,0
COc1cc(C(C)(C)C)cc(OC)c1C(O)(c1c(OC)cc(C(C)(C)C)cc1OC)c1c(OC)cc(C(C)(C)C)cc1OC,1
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,1
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1,0
c1cnc(OCCN2CC2)cn1,0
COC(=O)CCNc1ccccc1,0
CCCCCCCCCCCCCCCCNc1ccc2c(c1)OCCOCCOCCOCCO2,1
CCN(CC)CCSc1ccccc1,0
CC(=O)c1ccc(Cl)s1,0
O=C(Nc1cccc2ccccc12)ON=C1CCCCC1,0
CC[C@@H](c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)F,0
CC(C)(C)[C@@H]1CCNC(=O)CC1,0
COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ccc(N)cc1C3=O.Cl,1
Nc1nnnc2[nH]cnc12,1
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,0
Cn1c(=O)c2[nH]cnc2n(C)c1=O.O,0
O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1nnc(Cn2cnnc2)o1,0
CCN(CC)CCNc1ccc2nnn3c4ccc(OC(C)=O)cc4c(=O)c1c23,1
C=C(C)CN(CC(=C)C)C(=N)OC,0
CC(=O)Oc1cccc2c(C=NNC(N)=S)ncc(C)c12,1
COc1ccccc1C=NNc1ccc([N+](=O)[O-])cn1,0
O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl,0
COc1cc2c(cc1OCCCCOc1cc3nc(C)nc(Cl)c3cc1OC)N=CC1CCCN1C2=O,1
COc1ccc(Nc2nc3sc4cc(Cl)c(Cl)cc4n3c(=O)c2C#N)cc1,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl,1
CCCCCCNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,1
CCC1(c2ccccc2)C(=O)NC(=S)NC1=O,0
CCCCOC(=O)N1CCCCC1CCCC,0
CC(=NNC(=O)NN=C(C)c1ccccn1)c1ccccn1,1
O=CCc1ccccc1,0
CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)C(C)(C)C,1
CC[C@@H](C)NC(=S)Nc1ccccc1,0
O=[N+]([O-])/C=C\c1ccc2c(c1)OCO2,1
CC1CCC(CC(=O)O)(C(=O)O)CC1,0
CN[C@H](C)[C@H]1CCC2=C3CCC4C(=O)C(=NC(=O)CC(C)C)CC[C@]4(C)C3CC[C@@]21C,1
O=C1NC(=S)SC1=Cc1cc(Br)ccc1O,0
O=C(O)c1ccccc1C(=O)c1cccc2c(F)cccc12,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc(N5CCOCC5)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CC(=O)Nc1ccc(C=CC(=O)O)cc1,0
C=C1CC[C@@H]2[C@@]3(C)CO[C@H](c4c(OC)cccc4OC)O[C@@H]3CC[C@@]2(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O,1
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,1
O=C(CCCCC(=O)NN=Cc1ccc2c(c1)CCC2)NN=Cc1ccc2c(c1)CCC2,0
COC(=O)C1=C(OC(=O)/C=C/c2ccc(Cl)cc2)C(C(=O)OC)[C@@H]2C[C@@H](c3ccccc3)C(C(=O)OC)[C@@]1(O)C2C(=O)OC,1
CC(=O)[O-].Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c2c1[nH]c1ccc(O)cc12,1
CCCCNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
CCc1ccc2c(c1)N(C[C@@H](C)CN(C)C)c1ccccc1S2.Cl,1
COc1ccc(CC[NH-])cc1.COc1ccc(CC[NH-])cc1.[Cl-].[Cl-].[Pt+4],1
COc1ccc2ccc(OC)cc2c1,0
CCS(=O)(=O)N1CCN(c2ccccc2)CC1,0
C/C=c1/c(C)c(O)[nH]/c1=C\c1[nH]c(/C=c2/[nH]/c(=C/C3=NC(=O)C(CC)=C3C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C,1
O=c1[nH]cc(S)c(=O)[nH]1,0
O=C1NCN(c2ccccc2)C12CCNCC2,0
O=c1[nH]cc(F)c(=O)[nH]1,1
CCN(CC)CCSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
CC(C)(C)c1nn(-c2ccccc2)c2c1COCN2Cc1ccc(C(F)(F)F)cc1,0
O=C(/C=C/c1cccc([N+](=O)[O-])c1)/C=C/c1cccc([N+](=O)[O-])c1,1
CC[C@]1(C(C)C)NC(=O)NC1=O,0
Cc1ccc2[nH]c(O)c(N=Nc3ccccc3[N+](=O)[O-])c2c1,1
CC(=O)Nc1ccc(C)c(NC(C)=O)c1,0
C[C@H]1CC[C@]2(OC1)O[C@@H]1[C@@H](O)[C@@H]3[C@H]4CC[C@H]5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@@H]8O)[C@@H]7O[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](O)[C@@H]6O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,1
COc1cc([C@@H]2C[C@@](C)(N3CCOCC3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
Cl.Clc1cccs1,1
COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC.Cl,1
O=C(OCC(O)COC(=O)c1cccnc1)c1cccnc1,0
CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.[I-],1
CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,0
N[C-](C(=O)[O-])C(=O)[O-].[NH-]C1CCCCC1N.[Pt+4],1
Cc1c(N)cc(S(=O)(=O)O)cc1NC(=O)c1cccc([N+](=O)[O-])c1,0
O=C(Nc1ccccc1)OCCCl,0
CCCc1c(Cl)nc(Cl)nc1Cl,1
Oc1ccc(CCN2CCCCC2)cc1,0
CCOC(=O)C1CCCC1=O,0
Fc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1,1
Cc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1,0
COc1ccc(Oc2ccccc2C(=O)O)cc1,0
COc1ccccc1C=CC1=C(C)CCC(c2ccccc2OC)C1C,1
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCC2,0
O=C(NNC(=O)c1ccccc1O)c1ccccc1O,1
CCOC(OCC)C(CC)[Se]c1ccccc1[N+](=O)[O-],1
Cc1cccc(N=C2C(=O)N(Cc3ccc(Cl)cc3)C(=O)C2Cl)c1,1
C[C@]1([N+](=O)[O-])CO[P@@](=O)(Nc2cccc(F)c2)OC1,0
O=S(=O)(Cl)c1cccc2cccnc12,0
O=[N+]([O-])c1ccc(S(=O)(=O)NN=CCCc2ccccc2)cc1,0
CCOC(=O)/C=C\C(C#N)(C#N)/N=C/c1ccsc1,1
O=C(CCC(=O)Oc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-],0
Cc1c(-c2ccccc2)n(O)c(-c2ccc(N(C)C)cc2)[n+]1[O-],0
CC(=O)OC(C(=O)Nc1nncs1)c1ccccc1,0
O=C1CSCC(=O)O1,0
CC(C)(C)c1ccc(OCCOc2ccc(C(C)(C)C)cc2NC=O)c(NC=O)c1,1
CC(=O)N(CCc1ccccc1)N=O,0
CCOC(=O)C1CCN(C(=O)c2ccccc2)C(CC)C1=O,0
Cn1c(O)c(N=NC(=O)Cc2c[nH]c3ccccc23)c2ccccc21,0
NC(=O)c1c[se]c([C@H]2O[C@H](CO)[C@H](O)[C@@H]2O)n1,1
COC(=O)CC(c1ccccc1)N1CC1,0
O=C1CC2CC1C(C(=O)O)C2C(=O)O,0
CCOCCOC(=O)c1ccccc1Cl,0
CCCCCCCC(CO)CCCCC,0
Clc1nc(Cl)c2c(ncn2C/C=C\Cn2cnc3c(Cl)nc(Cl)nc32)n1,1
Cc1ccc(S(=O)(=O)N(CCC(=O)O)c2ccccc2)cc1,0
Cl.O=C1C(=Cc2ccccc2)CN(C(=O)CCN2CCCCC2)CC1=Cc1ccccc1,1
O=C(/C=C\Sc1ccccn1)c1cccc(Br)c1,1
CC(=O)N=C1C=C(NC(C)=O)C(=O)c2ccccc21,1
COC1CC(N)C2OC(c3ccccc3)OCC2O1,0
CC(C)c1oc(=O)cc2c1[C@H](O)[C@@H]1OC(=O)[C@@]3(C)[C@@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O,1
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1.CCS(=O)(=O)O,1
CCOc1cc2c(Cl)ncnc2c(OCC)c1OCC,1
CN(N=Nc1nc(OCc2ccccc2)c2[nH]cnc2n1)C(=O)Oc1ccc([N+](=O)[O-])cc1,1
COc1ccc2c(c1)[nH]c(=O)c1c3ccccc3cn21,1
CC1=NC(C)(C)CC2CCC(O)C12,0
CCCC[C@]1(CC)CO[C@@H](CCC)OC1,0
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=NO)/C(=C/c4ccc([N+](=O)[O-])cc4)C[C@@H]32)C1,1
CCC[C@H]1CC(=O)NC1(C(=O)OCC)C(=O)OCC,0
Cc1cccc(Cl)c1NC(=O)NCCCN1CCOCC1,0
CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Br)cc1.Cl,1
OC1(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccc(Cl)cc21,1
Nc1nc(-c2ccccc2)cc(=O)[nH]1,0
COc1ccc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1OC,1
O=[N+]([O-])c1cccc(/N=C/c2ccccc2)c1,0
CCc1cc(N)c(S(=O)(=O)O)cc1Cl,0
CCOC(=O)C(=O)Cc1cccnn1,0
N#C[C@H](NNC(=O)c1ccccc1O)c1cccc(O)c1,1
CN1CCC2(CC1)NC(=O)c1c(c3cccc(Cl)c3n1C)[C@H]2C#N,1
O=[N+]([O-])c1ccc(NC(=S)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1,1
CO[C@@H]1[C@@H](O)[C@H](O)[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)O[C@@H]1CO,1
CC1CCN(C(=S)[S-])CC1.CC1CCN(C(=S)[S-])CC1.[Cu+2],1
Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(Cc1ccccc1)C2,1
Cc1cc(Cl)ccc1OCC(=O)OCC(C)(C)[N+](=O)[O-],0
Cl.c1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21,1
C=C(Cn1c(=O)c2ccccc2c2ccccc21)c1ccc(C(=O)Nc2ccccc2N)cc1,1
O=[N+]([O-])c1ccc(Cl)cc1P(=O)(O)c1cc(Cl)ccc1[N+](=O)[O-],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)NCCc4ccccn4)C(CC(OC4OC(C)C(O)C(N)C4O)/C=C/C=C/C=C/C=C\C=C/C=C/C=C/C2C)O3)cc1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NCc1ccccc1[N+](=O)[O-])CC2,1
Nc1nc(SCc2ccccn2)c2[nH]cnc2n1,0
CCOC(=O)c1c(C)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
CCCSc1cc(Cl)nc(N)n1,0
CCCc1cn2c(/C=N/N=C(N)N)c(-c3cccc([N+](=O)[O-])c3)nc2s1.Cl,1
CC[C@H](C)C1=C(OC(C)=O)[N+]2([O-])Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1OC(C)=O,1
Cc1ccc(C(=O)C=CC=Cc2ccccc2)cc1,0
Cc1cc(C)n(C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])n2nc(C)cc2C)n1,1
Cc1c(C=NNc2ccccc2)[nH]c(=O)[nH]c1=O,0
Cc1cccc(NC(=O)Nc2cccc(C)c2)c1,0
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O,1
CC1CN(C=O)CC(C)N1CCN1C(C)CN(C=O)CC1C,0
Cc1ccc(S(=O)(=O)NN=C2CC(C)(C)OC2(C)C)cc1,0
O=C(CSCC(=O)NN=Cc1ccc(O)c(O)c1O)NN=Cc1ccc(O)c(O)c1O,1
CC(=O)c1c(O)ccc2c1c1c(n2C)C(=O)c2ccccc2C1=O,1
NC(Cc1ccccc1Cl)c1nn[nH]n1,0
C=C(CN1CCN(c2cccc(F)c2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
CC(=O)c1sc2[nH]c(CSc3nc(C)cs3)nc(=O)c2c1C,0
O=C(c1ccccc1)N(O)c1ccccc1,0
Cc1c2cccc(Sc3ccccc3)c2c2c3c(cccc13)[SH](c1ccccc1)C2,1
OCC(O)C1OC(c2ccco2)OC(CO)C1O,0
CCN1C(=O)NC(=O)[C@](C)(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C1=O,1
O=c1c2ccccc2[nH]n1CCCN1CCCCC1,0
NP(=O)(Oc1ccccc1)Oc1ccccc1,0
Fc1ccc(-c2ccc(F)cc2)cc1,0
COc1ccc(C#CC2=C(Br)C(=O)OC2)cc1,1
O=C1c2ccccc2CN1c1ccccc1,0
O=C1c2ccccc2C(=O)N1CNc1ccc(Cl)cn1,0
O=C(NN=C(C(=NNC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1,0
CC(C)(C#N)C(C)(C)C#N,0
CCCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O,1
Nc1nc(=S)c2[nH]c(=S)[nH]c2[nH]1,0
O=C(CSCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O,1
O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC1C(O)(C(F)(F)Cl)C(F)(F)Cl,1
CC1CN1P(=O)(Oc1ccc2ccccc2c1)N1CC1C,0
COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1,1
CCCCCCCCCCC(CN(CC)CC)C(O)c1ccccc1,1
O=C(CCl)Nc1ccc(Cl)cc1,1
NC(=O)SCC(=O)Nc1cccc2ccccc12,0
CCN(CC)CCSc1nc2ccccc2s1,0
COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ccccc1C3=O,1
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2nnnn2CCO)c([N+](=O)[O-])c1,0
COc1ccc2cccc(C(=N)c3ccc(C)c4c3CCC4)c2c1,1
O=[N+]([O-])c1ccc(OCCBr)cc1,0
O=C(Cc1nc2cccnc2nc1CC(=O)c1ccccc1)c1ccccc1,1
CCCCCC/C=C\CCCCCCCC=Cc1c(O)c(OC)cc(O)c1CN1CCN(C)CC1.Cl,1
Nc1nc(=O)cc(NC2CCCC2)[nH]1,0
COC(=O)C1OC2(CCCCC2)OC1C(=O)OC,0
NC(=O)C(O)(C(F)(F)F)C(F)(F)F,0
COc1cc2c(cc1OCCCCCCN1CCN(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3Cl)CC1)N=CC1CCCN1C2=O,1
Nc1ccc(CCCC(=O)NCc2cccnc2)cc1,0
CCCNC1(C(N)=O)CCN(Cc2ccccc2)CC1,0
Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1/C=N/c1ccc(-c2nc(Cc3ccccc3)sc2C)cc1,1
CN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1.[I-],1
O=C(NN=Cc1ccc(O)c(S(=O)(=O)O)c1)C(=O)NN=Cc1ccc(O)c(S(=O)(=O)O)c1,0
CN=C(NC)NCc1ccccc1.O=S(=O)(O)O,0
Cl.Cn1c(=N)n[n+]([O-])c2ccccc21,1
ClCc1ccccc1Cn1cnc2nc(Cl)nc(Cl)c21,1
[C-]#[N+]C(=C\c1ccc(O)cc1)/C(=C/c1ccc(O)cc1)[N+]#[C-],1
CCCCN(C(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1,0
CN(C)c1ncnc2c1ccn2C1OC(CO)C(O)C1O,1
O=C(Nc1ccn([C@@H]2CC[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1,1
COC1=C(OC)C(=O)C(SCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)=CC1=O,1
CC(C)CCC1(CCCl)C(=O)NC(=O)NC1=O,0
CN(C)c1nc(N)c2nccnc2n1,0
NNC(=O)C(CO)c1ccccc1,0
CCCC(=O)N(C(=O)CCC)C1=C(Cl)C(=O)c2ccccc2C1=O,1
Clc1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)cc1,1
C/C(=C\c1ccccc1)OC(=O)c1ccccc1,0
O=C1C=C(N2CCN(c3ccccn3)CC2)C(=O)c2c(O)ccc(O)c21,1
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccccc1[N+](=O)[O-],0
NC(=O)NNC(=O)NNC(N)=O,0
CCC(=NN=C(CC)c1ccccc1O)c1ccccc1O,0
O=C(OCc1ccccc1)c1ccccc1Cl,0
CCOC(=O)C(CC)(C(=O)OCC)c1ccccc1,0
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl,1
CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)P2(=O)N(CCCl)CCCl)cc1,0
OC(c1ccccc1)(c1ccccc1)C(F)(F)F,0
CN(C)c1ccc2cc3c(cc2c1)Oc1ccccc1N3.[Cl-].[Cl-].[Zn+2],1
O=CNC1c2ccccc2CCc2ccccc21,0
Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl,1
O=S(=O)(c1c(Cl)cccc1Cl)N(Cl)Cl,0
CCNc1nc(=O)c2cnn(C)c2[nH]1,0
CC(=O)c1ccc(Oc2c3ccccc3nc3occc23)cc1,1
CCCC[C@@H]1CCCCN1C(=O)OCC,0
CN(C)CCC(=O)c1ccc(Cl)cc1.Cl,0
Cn1c(N)c(/N=C/c2ccccc2)c(=O)n(C)c1=O,0
Cc1ccc(C(=O)OCC(C)C)cc1,0
Cc1ccccc1OCC(O)CN1CCCC1,0
CC(=O)O.Cc1c(CNc2ccc(Cl)c(Cl)c2Cl)cnc2nc(N)nc(N)c12,1
O=S(=O)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl,1
CCOC(=O)c1cc(Cl)c2c(ccc3ccccc32)n1,0
CC#Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
CCOc1ccccc1Nc1nc(N)nc(Cl)c1CC,0
CCCCC1=C2C=C(Cc3[nH]c(-c4ccc[nH]4)cc3OC)N=C2CCCCCC1.Cl,1
CCOC(=O)C(C(=O)OCC)c1ccc(Cl)cc1,0
COc1ccccc1/N=c1\scc(O)n1Cc1ccco1,0
C/C(=N\NC(=S)N1CCCCCC1)c1cccc[n+]1[O-],1
Nc1nc(N)c2cnnn2n1,0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)C(N)Cc1ccc(O)cc1.Cl,1
COC(=O)C1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2C[C@@H](O)[C@H]1OC,0
CCN(CC)C(=O)C1CC=CCC1C(=O)O,0
N#Cc1ccc2c(c1)C(=O)c1c-2n(CCCCl)c(=O)c2cc([N+](=O)[O-])ccc12,1
COc1cc(C=C2CCCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,1
C1CCC2(CC1)NCCO2,0
Clc1ccc(SCNc2ccccc2Cl)cc1,0
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1,0
CC(C)C(NC(=O)Oc1ccccc1)C(=O)NC1C(=O)C(O)c2c(Br)sc(Br)c21,1
Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)c(Cl)c3)ccc2n1,1
CCOC(=O)C1=C(C)N(c2ccc(C#N)cc2)[C@]2(O)C=CC(=O)C(C#N)[C@@]12C#N,0
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C(C(=O)c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21,1
CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
C#C[C@]1(O)[C@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1O,1
CC(=O)C(=Cc1ccc(C=C(C(C)=O)C(C)=O)cc1)C(C)=O,1
CC[C@H](C)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.Cl,1
CNS(=O)(=O)c1cc(C)ccc1C,0
CC(=O)[O-].CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,1
CCCCCCCCCCCCNCCCc1ccccc1,1
C=C1C(=O)OC2C1C(OC(=O)C(C)=CC)CC1(C)C(=O)CCC(=C)C21,1
CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(OC)c2)c1Br,1
CC(C)OP(=O)(OC(C)C)C(=NCCN=C(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC(C)C)OC(C)C)NNc1ccc([N+](=O)[O-])cc1,1
CN(C)CCCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23,1
O=C1N=c2ccccc2=C1Cc1c(Cl)n(-c2ccccc2)c2ccccc12,1
Cc1n[nH]c(N/N=C/c2ccc([N+](=O)[O-])o2)nc1=O,1
CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,0
COc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1C,0
Oc1[nH]c(O)c2c1C1OC2C(Br)C1Br,0
Cc1nc(N)sc1S(=O)(=O)F,0
CN1NCc2cncnc21,0
CCCCCCCCC[C@H]1OC[C@](C)([N+](=O)[O-])CO1,0
N#CC1(C2SCC[S+]2[O-])C2=C(C(=O)c3ccccc3C2=O)N2CCCC21,1
CCC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
CCCCCCOC(=O)CCC1CCCCC1,0
CCCCCOC(=O)N1CCCC[C@H]1C,0
Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Cl,0
C=CCOc1cc(C)ccc1C,0
COc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2c1,0
O=[N+]([O-])c1cc(Cl)cc2c1nc(NCCO)c1ccccc12,1
Cc1ccc(O)c(NC(=O)c2cccc(Nc3ccnc(C(F)(F)F)c3)c2)c1,1
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0
CCN(CC)CC(C)(C)C(=O)C=Cc1cccc(C=CC(=O)C(C)(C)CN(CC)CC)c1,1
Cc1cc(=O)[nH]c(NN=Cc2cc(Br)ccc2O)n1,1
O=C(N1CCCCCC1)N1CC1,0
Cc1ccc(N=NN(C)C)cc1,0
O=C(Nc1ccccc1)c1ccccc1O,0
CN=C(N)N/N=C(\C)c1ccc2c(c1)Cc1cc(/C(C)=N/N=C(N)NC)ccc1-2.Cl,1
COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1C[C@H](F)CC1C=N3)N=CC1C[C@@H](F)CN1C2=O,1
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,1
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=NO)[C@@]2(C)[C@H]3CC[C@H]2[C@@H](C)OC(C)=O)C1,0
C=c1c(O)c(Br)c(=C)c(O)c1Br.Cc1c(O)c(Br)c(C)c(O)c1Br,1
CC(=O)Nc1ccc(S(=O)(=O)CC(=O)CS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,0
CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl,1
C[C@@]12[Se]c3ccccc3[C@]1(C)[Se]c1ccccc12,1
CCCCCCCCCCCCSC(=NC)NC,1
Clc1ccc(SCSc2nc3ccccc3s2)cc1,0
CCCCCCC(C(=O)OCC)(C(=O)OCC)C1CCCCCC1,0
O=S(=O)(O)c1ccc2cc(O)ccc2c1,0
CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(=O)[nH]cnc32)CC1O,0
CCN(CC)CCC#N,0
O=C(c1ccccc1)c1ccccc1-c1ccccc1,1
CC1CN(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O,0
CCn1c(O)cc(=O)n(CC)c1=S,0
CCCCCCOc1ccc(N=C2C(=O)c3c(O)ccc(O)c3C(=O)C2Cl)cc1,1
CCCCCC(C)c1c(O)[nH]c(=O)[nH]c1=O,0
CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,0
O=C(COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1)c1ccc(Cl)cc1,0
CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1.CS(=O)(=O)O,1
Cc1ccccc1OC[C@@H](O)CN1CCOCC1,0
CN1CCN(C(=O)CCC(=O)Nc2cc3c(c4ccccc24)-c2ccc4ccccc4c2C3)CC1.Cl,1
NC(=O)NCc1cc(Br)cc(Br)c1O,0
NC[C@H](Cl)[C@H](O)c1c[nH]c(N)n1,1
Cc1c2cc[n+](COC(=O)c3ccccc3)cc2c(C)c2c1[nH]c1ccccc12.[I-],1
c1cc(CNCCNCc2ccncc2)ccn1,0
O=C(SCc1ccccc1)c1ccccc1,0
CN1C(=O)c2cc([N+](=O)[O-])ccc2C2C(=O)c3cc4c(cc3[C@H]21)OCO4.ClC(Cl)Cl,1
CCCc1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1O,0
Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(C)c3O)c2O)c1O,1
Cc1ccc(SC2=C(N(C)C)C(=O)c3ccccc3C2=O)cc1,1
CCCCCCCCCC(=NNC(=O)c1ccncc1)c1ccc(O)c(O)c1O,1
CN(C)C1C(=O)C(C(=O)NCNc2nc3[nH]nnc3c(=O)[nH]2)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,1
O=S(=O)(O)c1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1,0
S=c1[nH]nnn1C1CCCCC1,0
S=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1,1
CCOCCOC(=O)c1ccc(C(C)C)cc1,0
O=[N+]([O-])c1ccc2c(c1)COCO2,0
COc1ccccc1/C=C1/CCC(CNc2ccc(Cl)cc2)C1=O,1
C=c1c(O)c(N2CC2)c(=C)c(O)c1N1CC1,1
O=C1C[C@H](c2ccccc2)[C@H](c2ccccc2)C1,0
O=C(OCc1ccccc1)On1c(O)c2c(c1O)[C@H]1C=C[C@@H]2C1,0
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=O)c2c1O,1
O=C(CSC(c1ccccc1)c1ccccc1)N/N=C/c1ccco1,1
O=C(O)c1cc(Cl)ccc1Cl,0
Cc1ccc(NC(=O)CSC(N)=O)cc1,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)ccc1OCCCn1ccnc1,1
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2cc(Cl)ccc12,1
CCOc1ccc(N=C(N)N=C(N)N)cc1.Cl,0
O=P1(Cc2ccccc2)c2ccccc2-c2ccccc21,1
O=C(O)c1ccc(Br)c([N+](=O)[O-])c1,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)NN4CCCN(C)C.CS(=O)(=O)O,1
COc1cccc(-c2cc(=O)c3cc(N(C)C)ccc3[nH]2)c1,1
Cc1ccccc1NS(=O)(=O)c1ccccc1,0
O=C(O)c1ccccc1Nc1ccccc1[N+](=O)[O-],0
CC/C(=C\c1ccc2c(c1)COC2)c1nc(=O)c2ccccc2[nH]1,0
N#Cc1ccccc1C#C/C=C\C#Cc1ccccc1N,1
CC(=O)OC[C@H]1O[C@@H](N2C(=S)C(C#N)[C@@H](c3ccccc3)C=C2c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,1
CCOc1cccc(N)c1,0
Cc1cccc(C=NNC(=S)N2CCCCCC2)n1,1
O=C(Nc1ccccc1)OCCN1CCOCC1,0
CC1CCCCCCC1OC(=O)c1ccccc1C(=O)O,0
Clc1ccc(CSc2nc3ccccc3[nH]2)cc1,0
O=C(O)C(=Cc1ccccc1Cl)c1ccccc1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](c3c(O)cc(O)c5c3O[C@H](c3ccc(O)c(O)c3)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)C5)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
CCCCCCCCCCCCN=C(N)c1ccc(N2CCN(c3ccc(C(=N)NCCCCCCCCCCCC)cc3)CC2)cc1.Cl,1
CCOC(=O)c1n[nH]c(=C(O)OCC)c1=C(O)OCC,0
CCOc1ccc(/C=C\C(=O)O)cc1,0
C[Si](C)(CCl)O[Si](C)(C)CCl,0
Nc1nn(C(=O)c2cccnc2)cc1-c1ccccc1,0
Cn1c(=O)c(Br)c(C=O)n(CCO[N+](=O)[O-])c1=O,1
O=C(Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c23)cc1)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c23)cc1.[Na+],0
CCOC(=O)Cn1cnc(C)c1,0
Cc1ccc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1,0
O=C(O)COc1ccccc1,0
O=CNCCc1ccccc1,0
Nc1nc(N)c2c(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)ccnc2n1,1
Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccc(Cl)cc3nc-2c1=O,1
O=[N+]([O-])c1cnc(Sc2ccncn2)s1,1
Cc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1,0
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@H](OC(C)=O)C(C(=O)OC)=CCC[C@@]1(C)O[C@H]21,1
CCOC(=O)C=C(C(=O)OCC)C(C(=O)OCC)C(=O)OCC,0
CN1CCN(CCSC2Cc3cc(Cl)ccc3Sc3ccccc32)CC1,1
Cc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O,1
NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](C(Cl)Cl)NS2(=O)=O,0
COc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)CNC(=O)OC(C)(C)C)cc1OC,0
C=CCNc1c(O)cc2c(O)c1C=C(C)C[C@@H](OC)[C@@H](OC(=O)CCN(C)C)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)N2.Cl,1
O=C(CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(F)cc1,0
COc1cc(C(=O)N2N=C(c3ccc(S(C)(=O)=O)cc3)C[C@@H]2c2ccco2)cc(OC)c1OC,1
COc1cc2c(c(OC)c1OC)-c1cc(I)c(O)cc1[C@@H](NC(C)=O)CC2,1
CCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(C)=O,0
COC(=O)c1cc(N)cn1C.Cl,0
COc1ccc(OC)c(NCc2ccccc2)c1,0
N=C(N)SCc1ccc([N+](=O)[O-])cc1,0
CCOC(=O)[C@@]12N=NN[C@@H]1[C@H]1CO[C@H](c3ccccc3)N1C2=O,1
COc1cccc([C@H]2NC(=S)N=C(C)C2C(=O)Nc2ccc(Cl)c(Cl)c2)c1,1
Cc1ccc(-c2cssc2=S)cc1,0
CC(C)(CCc1ccccn1)C(=O)C(CCc1ccccn1)CCc1ccccn1,0
CC1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,0
Cc1ccc2c(c1)sc1nc3nc4sc5cc(Cl)c(Cl)cc5n4c(=N)c3c(=N)n12,0
CCCc1nc2ccccc2c(=O)n1Cc1nnc(C)o1,0
CCCCCCCCCCCCCCCc1cc(O)ccc1N,1
Cn1c(=O)c(Br)c(C=O)n(CCO[N+](=O)[O-])c1=O,1
COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)n1,0
C=C1C[C@H](c2ccc(OCCCN3C(=O)c4ccccc4C3=O)c(OC)c2)OC1=O,1
CCCCCCCCCCCC(=NO)c1ccc(O)c2ncccc12,1
CC(C)(C)NC(=O)C(c1ccccc1)N(Cc1ccco1)C(=O)CNC(=O)OC(C)(C)C,0
CC1(C)[C@@H]2CC[C@](C)(O)[C@H]1C[C@H](O)[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@H]1C2,0
CC(=O)N1c2ccccc2N(C(C)=O)c2ccccc21,0
Cc1c2cccc(F)c2c[n+]2ccccc12.[O-][Cl+3]([O-])([O-])[O-],0
CC(C)[C@@]1(C)N=C(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3ccccc3c2N1,1
N=[N+]=CC(=O)OCC(N)C(=O)[O-],1
CCN(CC)c1c(C(=O)C=Cc2ccc(F)cc2)c(-c2ccccc2)nn(C)c1=O,1
CN(C1=NCCO1)c1cccc2c1CCCC2,1
FC(F)(F)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
Cc1cccc(NC=O)c1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC2,1
CNC(=O)c1ccccc1O,0
CCN(CC)CCC(=O)C=Cc1ccc(Cl)c(Cl)c1.Cl,1
CC(C)NCC(=O)c1ccc(O)c(O)c1.Cl,0
NNc1n[nH]c(=S)n1N,0
C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2ccncc2)C1,0
C(#CCN1CCOCC1)CN1CCOCC1,0
O=C1NC(=S)NC(=O)C1=Cc1c(Cl)cccc1Cl,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(C)=O)C[C@@H]1O[C@H]1O[C@H](C)[C@H](O)[C@@H](N)[C@H]1Br)C3=O,1
O=S(=O)(O)c1cc(O)c2cc(Nc3ccccc3)ccc2c1,0
COc1cc2c(c(OC)c1OC)CCc1cnoc1-2,0
Cc1nnc2ncccn12,0
CCCC[Ge](CCCC)(CCCC)OC(=O)C(O)c1ccccc1,1
NNC(=O)c1ccncc1,0
O=C(O)c1ccccc1.c1ccccc1,1
O=C(Nc1cccc2c1Oc1ccccc1O2)C(F)(F)F,0
CC1=NCCN1CCN,0
Nc1nccs1,0
CO[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,0
CCCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1,0
CN(CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccccc1-2)CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccccc1-2,1
O=C1CCCCC2N(C(c3ccccc3)c3ccccc3)CCC12c1ccccc1.O=C1CCCCC2N(C(c3ccccc3)c3ccccc3)CCC12c1ccccc1,1
CC(C)=CC1CCc2ccccc2N1S(=O)(=O)c1ccc(C)cc1,1
O=C(/C=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1,0
O=C1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2C1,0
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=Nc2ccc3oc(=O)ccc3c2)cc1,1
COc1cc2nnc3c4cccnc4[nH]c3c2cc1OC,1
CCOC(=O)c1c[nH]c2c(Cl)c3c(cc2c1=O)[N+](=O)N=N3,0
Cc1ccc(O)c(NC(=O)c2ccc(CNc3ccnc(C(F)(F)F)c3)cc2)c1,1
Clc1cc(Cl)nc(N2CC2)n1,0
COC(=O)C(CC(=O)CNC(=O)c1ccccc1)NC(=O)c1ccccc1,0
CCC[C@@H](C)c1c(Cl)nc(Cl)nc1Cl,1
CCCCC(c1ccccc1)c1ccccn1,0
COc1ccc(-c2[nH]c3ccccc3c2C=C(C#N)C#N)cc1,1
COc1cc([C@H]2c3cc4c(cc3O[C@H](NC3CCCCC3)[C@@H]2C)OCO4)cc(OC)c1OC,1
CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](c1ccccc1)C2(C#N)C#N,1
C[C@@]1(C(=O)O)C[C@@H]2C=C[C@H]1C2,0
O=S(=O)(Nc1cccnc1)c1ccccc1,0
CC(=O)CC(C)=Nc1ccccc1O,0
COS(=O)(=O)[O-].C[n+]1c2ccccc2c(N=[N+]=[N-])c2ccccc21,1
Oc1ccccc1C=Nn1c(O)csc1=S,0
CCCC[C@@H]1CCC[C@]12NC(=O)NC2=O,0
O=S1(=O)CCC(N(N=Cc2ccco2)c2ccccc2)C1,0
CCSc1cc(Cl)nc(N)n1,0
C(#CCN1CCCCC1)CN1CCCCC1,0
CSc1[nH]c(=O)nnc1SCc1ccccc1,0
CC(C)OP(=O)(OC(C)C)C(=NCCN=C(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC(C)C)OC(C)C)NNc1ccc([N+](=O)[O-])cc1,1
CC1=C2CCCCC2COC1=O,0
CCCCCCC(CCCC)COC(=O)c1ccc(Cl)cc1,0
OC(C(F)(F)F)C(F)(F)Cl,0
CC(C(=O)O)N(CCC#N)CCC#N,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1.CCS(=O)(=O)O,1
CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1,1
OC(CCl)COc1ccc(Cl)cc1,0
CC1=C/C(=N/OS(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1,0
CN1CCN(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC1,0
O=c1c(Cl)c(Cl)cnn1-c1ccccc1,1
O=C(/C(=C/c1ccc(F)cc1)c1ccccc1)c1ccc(O)cc1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccccc3)[C@H]3CO[C@@H](OC)[C@H]23)OCO4)cc(OC)c1O,1
O=C(NOCc1cscn1)Nc1ccccc1,0
CNC(=O)NC(N)=O,0
S=C(NN=C(c1ccccc1)c1ccccn1)NC1CCCCC1,1
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C,1
CC(CC(=O)O)C(C)C(=O)O,0
c1ccc(-c2cnc3nc4ccccc4nc3n2)cc1,1
Cc1cc(Br)cc(Br)c1,0
N=C1NC2OC(CO)C(O)C2O1,0
CSc1nc2sc3cc(Cl)c(Cl)cc3n2c(=N)c1C#N,0
C[C@]12CCC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,0
O=S(=O)(O)c1ccc2c(c1)CCC2.[Na+],0
CC(=O)C1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,0
Cc1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N,0
COc1cc(N(C(C)=O)c2ccc(O)c(C(=O)O)c2)c2ncccc2c1,0
O=c1[nH]c(=O)n(Cl)c(=O)n1Cl.[K+],0
ClCc1ccc(Cn2cnc3nc(Cl)nc(Cl)c32)cc1,1
Clc1ccccc1-c1nc2ccccc2[nH]1,0
C[C@@H](Cc1ccccc1)N1CCCC1=O,0
CC(C)OP(=S)(S)OC(C)C,0
CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0
CCc1c(Cl)nc(N)nc1Nc1ccccc1C,0
CCN(CC)Cc1cc(Nc2c3ccccc3nc3c4ccccc4n(C)c23)ccc1O.Cl,1
CC1(C)CC(OCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC(C)(C)N1O.[Br-],1
COc1cc2ccccc2c2cc([N+](=O)[O-])oc12,1
CCCCCCCCCCCCCCCCN1CC2CCCCC2C1,1
CC(=NNC(=S)N1CCC(N2CCCCC2)CC1)c1ccccn1,1
Nc1ccccc1C#C/C=C\C#Cc1cccc(O)c1,1
Cc1cccc(C[C@@]2(O)C(=O)Nc3ccccc32)n1,0
Cc1cccc(C2=CCCCC2)c1,0
Cc1ccc2/c(=C/c3ccc(N(C)C)cc3)c3cc(-c4ccccc4)[n+](C)n3c2c1.O=S(=O)([O-])C(F)(F)F,1
CCN(CC)CCOc1ccc2c(-c3ccccc3)c(-c3ccc(OC)cc3)c(=O)oc2c1,1
CC(=O)OCC1OC(OC2=C(CC=C(Cl)Cl)C(=O)c3ccccc3C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,1
C[C@H](CN1CCOCC1)C(C#N)(c1ccccc1)c1ccccc1,0
CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1,0
Cc1cccc(NC(=O)CC(=O)n2[nH]c(C)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2=O)c1,1
CN(C)C1C(=O)C(C(=O)NCNc2nc3n[nH]nc3c(=O)[nH]2)C(=O)C2(O)C(=O)C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,1
O=C(CN1CCNCC1)N1CCOCC1,0
CC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-],1
CNc1cccnc1C=NNC(N)=S,1
CC=C(C)c1cc(=O)c2c(C)cc3c(c2o1)[C@@](OC)(OC(C)=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@H](C)O2)cc([C@H]2C[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](C)O2)c1C3=O,1
O=C(OCC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)CC1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1,1
CCn1cnc2c(SC3CCCC3)ncnc21,0
c1ccc2c(c1)N=C(c1cccc3ccccc13)C[C@@H](c1cccc3ccccc13)S2,1
CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C,1
COc1ccc(NC(=S)NN=Cc2cccc(C)n2)cc1,1
Cc1cccc(N2C(=O)c3ccccc3C2=O)c1,0
Cc1cccc(C=NNC(=S)Nc2ccc(Cl)cc2)n1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)c1cccc([N+](=O)[O-])c1)CC2,1
Cc1c2cccc-2c(OCCO)cc2c1[nH]c1ccccc12,1
Cc1c(Cc2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-],0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC)cc1)CN2,1
OCC1COC(c2ccccc2)=N1,0
Cl.Cl.Cl.O=C1CC=Cc2cccnc21.Oc1cccc2cccnc12.[Mo+7].[O-2],1
COc1c(/C=N/NC(N)=O)c(OC)c(OC)c2c1CCO2,0
C[C@@H]([C@H](O)c1ccccc1)N(C)C,0
FC1(F)C=C(c2ccccc2)C1(Cl)Cl,0
COC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
Br.c1ccc2c(c1)C(=NN=C1NCCN1)c1nc3ccccc3nc1-2,1
O=C1NC(=O)C(=C/C=C/c2ccccc2)C(=O)N1,1
Oc1cc(Nc2ccc(Cl)cc2)c(-c2ccccc2)n1-c1ccccc1,1
N#Cc1nnn(-c2ccc(Cl)cc2)c1N,0
O=c1ccn([C@H]2CC=C(CO)O2)c(=O)[nH]1,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,1
CCOC(=O)c1ccc(NC(=O)C2(N3C(=O)c4ccccc4C3=O)CCCC2)cc1,0
Cl.O=C1/C(=C/c2ccc(Cl)cc2Cl)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21,1
COc1ccc2nc3ccccc3c(NCCN(C)CCCl)c2c1.Cl,1
CCCN(CCC)CC(=O)c1ccc(I)cc1,0
N#C/C(=C\c1c[nH]c2ccccc12)S(=O)(=O)c1ccccc1,0
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.[Cl-].[H+],0
CCc1nc(N)nc(N)c1-c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1,1
Nc1cccc(OCC(=O)O)c1,0
C=CCc1ccccc1OC,0
CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,1
CCCCc1c(O)[nH]c(C)cc1=O,0
Cc1cc(C)c(N)c(Br)c1,0
C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)O[C@H]3[C@@H](C)[C@H]4O[C@H]5C[C@]6(C[C@@H]7O[C@@]8(C[C@@H](C)[C@@H]9O[C@@H](CC(=O)CCO)[C@@H](O)C[C@@H]9O8)C[C@H](C)[C@@H]7O6)O[C@@H]5C[C@@H]4O[C@H]3C[C@H]3O[C@@H](CC[C@@H]1O2)C[C@@H](C)C3=C,1
CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)N=C3c3ccccc3)cc2c1,1
CN1CCN(CC/C=C2\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,1
CC(=O)CCC(C(C)=O)C(C)=O,0
Cc1ccc(C(N)=O)cn1,0
CC(C)(CN1CCCCC1)C(=O)/C=C/c1ccc(Cl)cc1.Cl,1
Cc1ccc(N2CCN([C@H](C)C#N)CC2)cc1,0
O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-],1
CCNP(=O)(OCC)OCC,0
COc1ccc2c(c1)[C@H](OC)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C.Cl,1
COc1ccc(OC)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cl,1
O=[N+]([O-])c1ccccc1O,0
CCc1cc(C(N)=S)ccn1,0
COCCOCn1c(NN(C)C)c(C#N)c2c(N)ncnc21,0
CC(=O)C=CC1CC2C=CC1C2,0
CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCC,0
CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1,1
Nc1n[nH]c(CO)n1.O=C(O)CO,0
O=C(c1ccccc1)c1ccc(O)c2ncccc12,1
Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C.[Cl-],1
O=S(=O)(O)c1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2,0
N#Cc1c(N)nc(Nc2cccc3ccccc23)c(C#N)c1C#N,1
CCCCCCCCCOCC(O)COc1ccccc1[N+](=O)[O-],0
FC(F)(F)c1cc(N=C2NCCN=C(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)SS2)cc(C(F)(F)F)c1,1
OCCOSCCO,0
N#CC(C#N)=NNc1ccc(S(=O)(=O)c2ccc(NN=C(C#N)C#N)cc2)cc1,0
S=C(S)Nc1ccccc1,0
CNC(=O)OCc1c2cc[nH]cc2c(C)c2c1nc1ccc(OC)cc12,1
CSc1ncnc2c1ncn2CO,0
O[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCc3ccccc3CN21,1
Oc1ccc(O)c2c1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,1
CC(=O)NNC(=O)c1ccncc1.Cl,0
COc1cc2c3c(n(CCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
O=C([O-])CCCc1ccccc1.[Na+],0
S=C(NNC(=S)Nc1ccccc1)Nc1ccccc1,0
COc1cc(C2c3[nH]c4ccccc4c3C(Nc3ccc(F)cc3)C3COC(=O)N23)cc(OC)c1O,1
CC(C=NNC(=O)c1cnccn1)=NNC(=O)c1cnccn1,0
O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-],1
COC(=O)C(CCC(=O)CCl)N1C(=O)c2ccccc2C1=O,1
Cc1ccccc1C1OC(=O)c2ccc3ccccc3c21,1
CCN(CC)c1cc2oc3cc(=N)cc(N)c-3nc2cc1C,1
BrCCOc1ccc(Br)cc1,0
CCOC(=O)c1sc(NC(=O)COc2cccc(/C=C3\CCc4cc(OC)ccc4C3=O)c2)nc1C,1
Cc1cn(CC(C)C)c(=O)n(-c2ccccc2)c1=O,0
CC(=O)Nc1ccc(O)cc1,0
CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1.[Cl-],1
Cn1c(N2CCCCC2)nc(-c2ccccc2)c(C#N)c1=O,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)cc(OC)c1OC,1
CCOC(=O)c1ccc(NC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)cc1,1
COc1cc2c(cc1OCCCCCN1CCN(c3ncnc4ccccc34)CC1)N=CC1CCCN1C2=O,1
Cc1cc(C)n(CO)n1,0
C=CCC(C(=O)OCC)(C(=O)OCC)C(C)=CC,0
CCCCCCCCCCCCCCCC[N+](C)(C)CCl.[Cl-],1
CCCC[Sn](CCCC)(SC1=NCCS1)SC1=NCCS1,1
O=c1[nH][nH]c(-c2ccccc2)c1Cc1ccccc1,0
Nc1nc(-c2ccccc2Cl)cs1,0
CCCn1c(=O)c(CCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0
CC(C)(C)c1ccc2ccccc2c1,0
Fc1ccccc1-c1cc(=S)c2cc3c(cc2[nH]1)OCO3,1
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1[nH]c1ccc(NC3OC(CO)C(O)C(O)C3O)cc12,1
CC/C(Cl)=N/OC(=O)Nc1ccc(OC)cc1,1
COc1ccc(C(=O)NN=Cc2ccc(O)cc2O)cc1Nc1ccnc(C(F)(F)F)c1,1
CC(=O)C(=Cc1c(-c2ccccc2)[nH]c2ccccc12)S(=O)(=O)c1ccccc1,1
CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3nc12,1
C/C(=N\NC(=O)CC#N)c1cccs1,0
Cc1ccc2c(c1)-c1nc3nnnn3nc1C(C)(C)O2,0
O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3,1
CCOC(=O)C(OCC)=C(C#N)c1ccccc1,0
c1ccc2cc(OCCOCCOc3ccc4ccccc4c3)ccc2c1,0
C[As](C)Sc1ccnc(S[As](C)C)n1,1
CCOC(=O)c1nnc2c(C(=O)OCC)c3ccccc3n2c1N,1
O=[N+]([O-])c1cnc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)s1,0
N=C(CSP(=O)(O)O)NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2.[Na+],0
CN1CCC[C@@H]1c1ccc(=O)[nH]c1,0
CCc1cc(C(N)=S)ccn1,0
CCOC(OCC)c1nc(N)nc(N)c1-c1ccc(Cl)cc1,0
O=C1Nc2c3c(nn2N=Nc2ccccc21)CCCC3,0
COc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1,0
Cc1cc(NC(=O)OC(C)C)ccc1-c1ccc(NC(=O)OC(C)C)cc1C,0
Cc1nccnc1Sc1ccccc1,0
O=C(CCCC(=O)NN=CC=Cc1ccccc1)NN=CC=Cc1ccccc1,0
Nc1cccc2ccc([As](=O)(O)O)cc12,0
O=c1oc2c([nH]c3ccc4ccccc4c32)c2ccccc12,0
Nc1c2c(=O)[nH]c(=O)c2c(N)c2c(=O)c3ccccc3c(=O)c12,1
c1ccc([PH](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1,1
COc1cccc(-c2nnc(N)o2)c1,0
C[C@]1(CCc2ccccc2)NC(=O)NC1=O,0
O=[N+]([O-])c1ccc2[nH]c3nc4ccccc4nc3c2c1,0
O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1,0
CCCCn1c(N)c(N(CC)C(=O)COc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O,0
Cc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
O[C@H](c1ccccn1)[C@@H](O)c1ccccn1,0
O=c1cnc(=O)[nH][nH]1,0
Cc1cc(C)cc(OCC(=O)O)c1,0
CC1(C)C(=O)C(C)(C)C1=O,0
CC1(CO)CCCC12OCCO2,0
CC(O)C(=O)O.CCOc1ccc2[nH]c3cc(N)ccc3c(=N)c2c1,1
C[C@]12CCC[C@](CC(=O)O)(C1)NC(=O)C2,0
O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,0
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)Sc1c2ssc1=O,1
O=C(CCC(C(=O)O)N1C(=O)c2ccccc2C1=O)Nc1ccccc1,0
CC(=O)CC(=O)Nc1ccccc1C,0
CCN(N=O)c1ccc(/C=C2\C=Cc3ccccc32)cc1,0
CC(=O)N(c1ccccc1)C1CCNCC1,0
O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1,0
CCN1CC[C@](O)(/C=C/c2ccc(C)cc2)C(C(=O)/C=C/c2ccc(C)cc2)C1.Cl,1
Cc1cc(CC(=O)[O-])n(C)c1C(=O)c1ccc(Cl)cc1.O.O.[Na+],0
COc1ccc(-c2ccc(=O)oc2-c2cc(OC)c(OC)c(OC)c2)cc1O,1
CC1C(Cl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,0
OCCc1ccccn1,0
COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCN)OCO2.Cl,1
CCOC(=O)c1nnc2cc(-c3ccccc3)nn2c1C,0
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
Cc1cc(C(O)=NCCN(C)C)c2nc3ccccc3cc2c1.Cl,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4O)c4c(=O)[nH]c(Nc5cccc(Cl)c5)nc4n3)cc2)n1,0
CC(=O)CC(C)(C)c1ccccc1,0
Cc1cc(Cl)nc(Nc2ccccc2)n1,0
O=c1oc2nc(-c3ccccc3)cc(C(F)(F)F)c2n1Cc1ccccc1,1
O=C(O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2,0
O=C1OCC=C1c1[nH]c(=O)[nH]c1O,0
O=S(=O)(O)c1ccc(O)c2ncccc12,0
[Cl-].c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,1
O=C1C[C@@H](c2ccccc2)c2ccc(O)cc2O1,0
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC(=O)O[C@@H]3[C@@](C)(CCC(=O)O)C[C@@]12C,1
O=C1C(=Nc2cccc(O)c2)C(Cl)C(=O)N1Cc1ccc(Cl)cc1Cl,1
O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)cn(-c2ccccc2)c1O,1
Cc1cc(OCCCC(=O)O)ccc1Cl,0
Cc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1.[Cl-].[Cl-].[H+].[H+],1
COC(=O)c1ccccc1N=NC(C#N)C#N,0
CC[C@]1(C(=O)OC)CCc2c(cc(OC)c3ccccc23)C1=O,0
O=c1[nH]c(NCCO)nc2[nH]ncc12,0
O=[N+]([O-])c1cc[n+]([O-])c2ccccc12,1
Oc1ccccc1C=NNc1nc2ccccc2s1,1
CC(=NNc1nc2ccccc2[nH]1)c1ncccn1,1
CCNC(=O)/C(=C/c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,1
CC/C=C/N1CCCC1,0
C=CCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2,1
Cc1ccc(NC2(C(N)=O)CCN(Cc3ccccc3)CC2)cc1,0
CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0
Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1/C=N/c1ccc(C(=O)O)cc1,1
CC[C@H](C)Sc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,0
CC(C)(CN1CCCCC1)C(=O)CC(SCCN)c1ccc(Cl)cc1.Cl,1
CC(=O)Nc1ccc2ccccc2c1[N+](=O)[O-],0
CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Cl)c(Cl)c1,1
O=C(O)CCC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O,0
CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2OC)c(N)c1,0
N=c1nc(N)n(-c2ccc(S(=O)(=O)O)cc2)c(N)n1,0
C=CCSC(SCC=C)c1ccc(Cl)cc1,0
Nc1cc(S(N)(=O)=O)ccc1N1CCCC1,0
COC(=O)C1(C(=O)OC)C=c2ccc(OC)cc2=C2C(=O)c3ccccc3C(=O)C21,1
COc1ccc2c(c1)CCC1=CC3(CC[C@@]12C)SCCS3,1
CCN(c1ccccc1)c1nc(Cl)nc2c1cnn2C,0
CCCC(=O)Nc1cn(COC)c(C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c2[nH]cc(C)c24)n1,1
C[C@@H]1CC[P+](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21.[Cl-],1
CCCCCCCCCCNCCSS(=O)(=O)O,1
CCN(CC)CCO/N=C1\CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C.Cl,1
CN(C)CCNC(=O)c1ccc(Cl)c2ccc(-c3ccccc3)nc12.Cl,1
OC(O)=c1c(=C(O)O)c2ccccc2c2ccccc12,0
COC(=O)c1c(C)cc2c(c1O)[C@@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@]1(OC)[C@H](O)C2)C(=O)CC(=N[C@H]1O[C@H](C)[C@@H](OC)[C@H](O)[C@H]1OC)C4=O,1
Nc1cc(SCc2ccc(Cl)cc2Cl)ncn1,0
Cc1cc(CCNC=O)c(C)c2c1oc1ccccc12,0
CSCCC(NC(=O)c1ccccc1)C(=O)N/N=c1\scc(O)n1C,0
CN=C(NC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NC)cc3)c(N)c2)cc1,0
CN(C)CCC1(c2ccccc2)CCN(C)C1=O,0
Cn1c(=O)c(C#N)c(-c2ccccc2)n2c(S(C)(=O)=O)nnc12,0
CN(C)c1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
Nc1ccn([C@@H]2O[C@@H](CO[P@](=O)(O)OC[C@@H]3O[C@@H](n4cc(F)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](O)[C@@H]2O)c(=O)n1,1
Fc1ccc(Nc2nc3ccccc3c3occc23)cc1,1
C=C1CC(COc2cc(=O)oc3ccccc23)(c2ccccc2)OC1=O,1
O=C(O)CCCl,0
CO[C@@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(NCCN(C)C)c(c2O)C=C(C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(\C)[C@H]1OC(N)=O,1
CC(C)CCOC(=O)C(O)c1ccccc1,0
O=C(CC(CC(=O)c1ccccc1)c1ccncc1)c1ccccc1,0
CC(=O)[O-].C[N+](C)(C)C,0
COc1cc2c(cc1OCCCCOc1ccc(-c3nc4ccccc4s3)cc1)N=CC1CCCN1C2=O,1
CC1(C)CCC(=NNC(N)=S)CC1,0
C[C-]1O[Nd+3]23(OC(c4ccccc4)=[C-]C(c4ccccc4)O2)(OC(c2ccccc2)=[C-]C(c2ccccc2)O3)O1,1
O=S(=O)(O)c1cccc2cccc(O)c12,0
O=C(Nc1cccc2ccccc12)OCc1ccccc1,0
C=C(C)C(=O)O[C@@H]1CC2=C[C@@H](C[C@@]3(C)O[C@@H]3[C@H]3OC(=O)C(=C)[C@@H]31)OC2=O,1
COC(=O)C1OCO[C@H]2C(C(=O)OC)OCO[C@H]12,0
CCOC(=Nc1ccc(C(=O)O)cc1)C(O)c1ccc(-c2ccccc2)cc1,0
Nc1nc(=O)c2nn(-c3ccccc3)nc2[nH]1,0
C[C@H]1O[C@@H](O[C@@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,1
Cn1c(=O)c2nc(NCC3CCCCC3)sc2n(C)c1=O,0
O=C(OC[C@@H](O)[C@@H](O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1,0
COC(=O)/C=C\C(C#N)(C#N)/N=C/c1cccs1,1
C(=NNc1ccccn1)c1ccccn1,1
Cc1ccc2nc(-c3ccccc3)nn2c1,0
NS(=O)(=O)c1ccc(-n2ncc3c2ncn2c(Nc4ccccc4)nnc32)cc1,0
Cn1c(=O)c2c(nc(NC(N)=O)n2C)n(C)c1=O,0
CCCC[Sn+2]CCCC.Cc1ccc(C(=O)[O-])cc1N.Cc1ccc(C(=O)[O-])cc1N,1
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)sn1,0
CN(C)CCC1(C2=CCCC2)CCC(=Cc2ccc(Cl)cc2)C1=O.Cl,1
CCCCC(O)c1ccccc1,0
Cc1cn[nH]c1,0
NC(CC(=O)Nc1ccc(F)cc1)=NO,0
O=C1C=C(N2CCOCC2)c2cccc3cccc1c23,0
Cc1ccccc1NC(=O)Oc1cccc(OC(=O)c2ccccc2)c1,0
O=C1C(Cl)=C(Cl)C(=O)C(Cl)(Cl)C1(Cl)Cl,0
CCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC,0
O=C1C(Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1,1
COc1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1,1
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O,1
Cc1c(CCCl)c(=O)n2c([nH]c3ccccc32)c1C#N,1
Cc1cccc(OCc2ccccc2)n1,0
COc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
COC(=O)/C=c1/c2ccccc2n2c1c1ccccc1[n+]2C.O=S(=O)([O-])C(F)(F)F,1
COc1cc(-c2c[nH]c3ccccc23)nc(-c2c[nH]c3ccccc23)n1,1
COC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1=O)CCC3,1
CC(=O)N1c2cc3ccccc3cc2N(C(C)=O)c2cc3ccccc3cc21,0
COc1cc(SSc2cc(OC)cc([N+](=O)[O-])c2N)c(N)c([N+](=O)[O-])c1,0
Oc1ccc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O,1
COC(=O)C1(C)COP(=O)(Nc2ccc(OC)cc2)OC1,0
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.N,1
O=C1Nc2ccc(Cl)cc2/C1=C\c1c(Cl)nc2sccn12,1
CC(C)CC(Br)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O,0
NN=C1CCC(C(=O)NN)C1,0
O=C(/C=C/c1ccccc1)OCc1ccccc1,0
O=C(OCCNC1CCCCC1)c1ccccc1O,0
CC(C)(C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
Nc1[nH]oc(=O)c1C1CCCCC1,0
C=C(Cl)CSC(=S)N(CC)CC,0
CO[C@H]1O[C@H](O)[C@@H](NC(=O)C(F)(F)F)C[C@@H]1O,0
N#Cc1c(Br)[nH]c2ncnc(N)c12,0
COc1cc(/C=C/c2cc(O)c(C/C=C(\C)CC/C=C(\C)CO)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2,1
O=C(c1cc(=O)[nH]c(=O)[nH]1)N(CCO)CCO,0
CC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C=C(N2CC2)C1=O,1
O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1O,1
C/C=C(/C)C(=O)O[C@H]1[C@H]2[C@@H]([C@@H](OC(C)=O)C(C)C(=O)[C@@]34CC(C)C(=O)[C@]3(C=C(C)[C@H]1OC(C)=O)O4)C2(C)C,1
Clc1ccc2[nH]c(Nc3cccc(Cc4ccccc4)c3)nc2c1,0
O=C1NC(=O)C(Br)(Br)C(=O)N1,0
CN(C)CCC(=NNc1ccc(Cl)c(Cl)c1)c1ccccc1.Cl,1
Oc1cc(CN2CCOCC2)c(O)cc1CN1CCOCC1,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Cl,1
CC(O)C1(O)C(O)CC(OC2c3cc4c(O)c5c(O)cccc5c(O)c4c(O)c3C3=CC2(C)OC32C=c3cc[nH]c3=N2)OC1C,1
OC(CN1CCCC1)c1ccccc1,0
c1coc(CSc2ncnc3[nH]cnc23)c1,0
COc1ccc2c(c1)=C(Cc1c(Cl)[nH]c3cc(C)c(OC)cc13)C(=O)N=2,1
O=C(Nc1ccccc1)OCCOc1ccc(Cl)cc1Cl,0
CC(C)(Cl)C(=O)Oc1c(Cl)cc(Cl)cc1Cl,0
COc1nc(N)c(N=O)c(OCc2ccccc2)n1,1
CCN(CC)Cc1ccc2cccnc2c1O.Cl,1
COC(=O)C1(O)CCCCC1,0
C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-],1
c1ccc(C(=NNc2nc3ccccc3s2)c2ccccn2)cc1,1
O=c1cc(-c2cccc3ccccc23)[nH]c2ncccc12,1
Cc1ccc(-c2nn3c(-c4ccccc4)nnc3o2)cc1,0
CC[C@@H](O)C[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1OC(=O)/C=C\[C@@](C)(O)[C@@H](O)[C@@H](C)[C@@H](O)[C@H](O[C@H]3C[C@@H](OC)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@](C)(O)CCC/C=C/[C@@H]3C[C@H](C)CO[C@@]3(O)C[C@@H](O2)[C@@H]1C,1
CC(=O)NCCCOc1ccc([N+](=O)[O-])cc1Cl,0
CC1=CC(C)(C)SC(=S)N1,0
Cc1ccc(C(=O)C2CN(C)CCC2(O)c2ccc(C)cc2)cc1,0
CCCCCCC1N=C(N)N=C(N)N1c1cccc(Cl)c1,1
Cc1ccc(Cn2c(C)nc3c2C(=O)c2ccccc2C3=O)cc1,1
O=P(O)(O)c1ccccc1,0
O=S(=O)(O)C[C@H](O)CN1CCN(CCO)CC1,0
O=c1oc(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cc3c12,0
C[C@H](/C=C/NNC1=NN=C(c2ccccc2)[C@H](c2ccccc2)N1)Sc1ccccc1N,1
OC(CN1CCCC2CCCCC21)c1cc2ccccc2c2ccccc12,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)C3=C(O)OC[C@@H]32)OCO4)cc1.Cl,1
C=CCNC(=O)NC(=O)Cc1ccccc1,0
CCCC(=O)c1ccc(C)s1,0
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCCC[C@@H]67)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32.COS(=O)(=O)O,1
CC(=NNC(=S)Nc1ccccc1)c1nc2cccnc2[nH]1,1
CN(C)c1ccc(/C=N/c2ccccc2)cc1,0
O=C1C=C/C(=N/c2ccccc2)O1,0
Cc1ccc(/C=C/C(=O)C(C)(C)CN2CCCCC2)cc1.Cl,1
COc1cc2c(cc1OCCCN1CCN(CCCOc3cc4c(cc3OC)C(=O)N3C[C@H](F)CC3C=N4)CC1)N=CC1C[C@@H](F)CN1C2=O,1
C[C@@H]1CN(CCCCO)CCN1,0
C=Cc1c(C)cc(C)c(C)c1C,0
COc1ccc(OC)c(NC(=O)N2CCC[C@H](C)C2)c1,0
CC(C)COC(=O)c1ccccc1,0
CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl,1
Nc1c(I)c(I)c(S(=O)(=O)O)c(I)c1I,0
c1ccc(-c2ccc3c(c2)NCCN3)cc1,0
CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(OC(C)C)cc12,1
CC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2cc3c(cc2C1)C(=O)CC3,1
CC(=O)Nc1ccc(OC(=O)Oc2ccc(NC(C)=O)cc2)cc1,0
C=c1nc2sccn2c1=Cc1c(O)[nH]c2ccccc12,1
Cc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)O,1
CC(=O)Nc1cccc(S(N)(=O)=O)c1C,0
CCCCCc1nnc(NC(=O)/C=C/c2cccc(F)c2)s1,0
COc1ccc(C)cc1NS(=O)(=O)c1ccccc1,0
[O-][S+]1c2ccccc2Oc2ccccc21,0
COC(=O)C1CO[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@@H]12,1
COC(=O)c1nn2c(c1C(=O)OC)C[C@@H](c1ccccc1)N(S(=O)(=O)c1ccccc1)C2,0
COc1ccc2c(c1)[n+]([O-])c(C(=O)NCCc1ccccc1)c(C)[n+]2[O-],0
O=C(CCCCCCCCC(=O)SCc1ccccc1)SCc1ccccc1,0
OCCN1CCNCC1,0
Oc1cccc(O)c1,0
CN(C)c1ccc(C(=O)c2ccc(N(C)C)c(N)c2)cc1N,1
COc1cc(N(C)C)ccc1/C=c1/c2ccccc2n2c1cc(-c1ccccc1)[n+]2C.O=S(=O)([O-])C(F)(F)F,1
CCCCNC(=O)Nc1nc[nH]n1,0
O=C(NCCCl)Nc1nc[nH]n1,0
CCCC[Sn+2]CCCC.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12,1
COc1cc2c(cc1OCCCCCn1c(-c3ccc(OCc4ccccc4)cc3)nc3cc(N4CCOCC4)ccc31)N=CC1CCCN1C2=O,1
O=C(/C=C/c1ccco1)/C=C/c1ccco1,0
OCc1nc2ccccc2[nH]1,0
Oc1cc(N2CC2)c(O)cc1N1CC1,1
CC(=O)c1ccc(Nc2nc3ccccc3c3occc23)cc1,1
N#Cc1c(N)nc2[nH]nc(N)c2c1-c1ccccc1,1
Cc1c2c[nH]ccc2c(C)c2c1nc1ccc(O)cc12,1
Oc1c(I)cc(I)c2cccnc12,1
COc1ccc(CC(N)C(=O)N[C@H]2[C@@H](O)[C@@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CO)cc1.Cl,1
c1cncc(-c2nc3ccccc3[nH]2)c1,0
CN(C)CC1CCCc2ccccc2C1=O.Cl,1
CC(=O)c1ccc(Oc2ccc(/C(C)=N/N=C(N)N)cc2)cc1.O=[N+]([O-])O,1
COc1cc2nc3cc([N+](=O)[O-])ccc3c(NCCCNCC(C)(C)O)c2cc1OC,1
O=C(NN=Cc1ccncc1)c1ccncc1,0
N#Cc1cnc(Nc2nc3ccccc3s2)nc1N,0
ClCc1nnc2n1-c1ccc(Cl)cc1SC2,1
CCOC(CCc1c(C)[nH]c(NC(C)=O)nc1=O)OCC,0
CC12CCC(C(=O)N(c3nccs3)C1=O)C2(C)C,0
CC(=O)[O-].CC(=O)[O-].c1ccc([Pb+2]c2ccccc2)cc1,1
CCOP(=O)(OCC)[C@H](NC(c1ccccc1)c1ccccc1)c1cccc2ccccc12,1
O=C(c1ccc(Cl)cc1Cl)N1CCOCC1,0
C[C@@H](C#N)N1CCN(c2cccc(Cl)c2)CC1,0
CN(C)CCN=C1c2ccccc2-c2c(=O)n(CCN(C)C)c(O)c3cccc1c23.Cl,1
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
CCOC1=C(c2ccccc2)N2CCCCC2O1,1
CC(=O)Nc1ccc(C(=O)C=O)cc1,0
CC(C)/C(Cl)=N/OC(=O)Nc1ccc(Br)cc1,1
COC(=O)C1(C(=O)OC)N=C(C)OO1,0
O=CNC1(c2ccccc2)CCCCC1,0
N=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccn1,1
c1ccc(C2OCCO2)nc1,0
C=C1C[C@](C)(COc2ccc3c(C)cc(=O)oc3c2)OC1=O,1
CC(=O)O[C@@H]1Oc2ccccc2-c2oc3nc(=N)n(C)c-3cc21,0
COc1cccc(NC(=O)CC(=O)n2[nH]c(C)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2=O)c1,1
Cc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-],0
C[N@+]1(CCN[P@](=S)(NCC[N@@+]2(C)Cc3c(ccc4c3OCO4)[C@H]3[C@@H](O)Cc4cc5c(cc4[C@@H]32)OCO5)NCC[N@+]2(C)Cc3c(ccc4c3OCO4)[C@H]3[C@@H](O)Cc4cc5c(cc4[C@@H]32)OCO5)Cc2c(ccc3c2OCO3)[C@H]2[C@H](O)Cc3cc4c(cc3[C@@H]21)OCO4.O,1
Cc1cc(C)n2c(=O)[nH]nc2c1,0
CCCCCCCC=CC1CCC(CN2CCOCC2)C1=O.Cl,1
CC(=CC=C(C)C(=O)O)C(=O)O,0
C[C@H]1CCC/C=C/[C@@H]2CC=C[C@H]2[C@H](O)/C=C/C(=O)O1,0
CN1C=CC(=C[N+](=O)[O-])N(C)C1=O,0
Cc1cc2nc3c(C#N)c(-c4ccccc4)cc(Nc4cccc(C(F)(F)F)c4)n3c2cc1C,1
COc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1,1
[O-][n+]1ccc(NO)c2ccccc21,1
O=C1NC(=S)NC(=O)C1=Cc1cccnc1,0
CCOC(=O)C(Cc1ccc(OC)cc1)C(=O)OCC,1
C=Cc1c(C)c2[nH]/c1=C\c1[nH]c(c(=CC)c1C)=Cc1[nH]c3c(c1C)C(=O)C(C(=O)OC)/C3=C1/N=C(C=2)[C@@H](C)C1CCC(=O)O,1
[N-]=[N+]=NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(I)ccc1-2,1
CC(C)C(O)C(C)(C)C(O)C#N,0
Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)C2OC(=O)C(O)C2O)cc1C,0
C[Si](C)(C)Cc1ccccc1,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)NCCN4C,1
COc1ccc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2ccccc12.Cl,1
Cc1ccc2c(=O)cc(-c3ccc(Cl)cc3)[nH]c2n1,1
O=C1C(C(O)(C(F)(F)F)C(F)(F)F)CCC1C(O)(C(F)(F)F)C(F)(F)F,1
CCCCCCCCCCc1cc(O)oc1O,0
CCOC(=O)C1OC2(CCCC2)OC1C(=O)OCC,0
CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1,0
CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,0
O=c1c2ccccc2c2c3c1cccc3c1cccc3c(=O)c4ccccc4c2c31,0
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.F[P-](F)(F)(F)(F)F,1
CC(=O)OCc1cc2c(s1)C(=O)c1sccc1C2=O,1
Cc1ncc(NS(=O)(=O)c2ccc(N)cc2)nc1C,0
CC(=O)Nc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2,1
CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
NC(=O)SCC(=O)Nc1ccccc1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1.CCS(=O)(=O)O,1
O=C(O)COc1cc(F)c(Cl)cc1Cl,0
Clc1ccc(Cc2ccc(Cl)cc2)cc1,0
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccccc1Cl,1
COc1ccc2c(c1)C(=O)C1(CC2)OC1c1cccnc1,0
Nc1ccc2ccc(O)cc2c1,0
Cl.NCCS[C@]1(O)C(=O)c2ccccc2-c2ccccc21,1
Cc1ccc(C)c(CN(C)C)c1O,0
COc1cc(C2C3=C(CCC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
c1ccc(-c2ccc3c(c2)N[C@@H]([C@H]2Nc4cc(-c5ccccc5)ccc4O2)O3)cc1,0
S=c1[nH]ccn1-c1ccccc1Cl,0
CC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)O)cc1,0
CCN(CC)CCC[C@H](C)Nc1nncc2cc(Cl)ccc12,0
CCOc1cccc2cc(C(N)=O)c(=N)oc12,0
O=C(c1ccccc1)C(CCc1ccccn1)CCc1ccccn1,0
Cc1ccc(S(=O)(=O)F)c(Cl)c1,0
COc1oc([C@H]2C/C(=C/C(C)=C/C(C)=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C,1
COC(=O)C1CC(=O)Nc2c(cc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1=O,1
O=c1cccn[nH]1,0
NC(=O)c1ccccc1OCC(O)CO,0
CC(=O)Nc1nc(=O)c2cc[nH]c2[nH]1,0
NC(=O)c1nnsc1-c1ccco1,0
CCOC(=O)c1ccc(N(CC[C@@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1,0
OCCOc1cc(Cl)c(Cl)cc1Cl,0
CC(=O)Oc1cccc2c1C(=O)C(Br)(Br)CCC2,1
CC1CCCC(C)N1,0
CC(=O)CC(=O)NCC#N,0
N=C(N)Nc1ccc(N=C(N)N)cc1,0
COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)C3,0
O=C(O)c1cc(NCCO)c(C(=O)O)cc1NCCO,0
CC(C)(O)c1cccc(I)c1,0
O=C(NNc1c(O)[nH]c2ccccc12)C(Cc1ccc(O)cc1)=NC(=O)c1ccccc1,0
CC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)Sc1ccccc1N,1
CCOC(=O)NC(NC(=O)OCC)C(Cl)Cl,0
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,0
Oc1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1,1
O=C(O)c1ccc2c(c1)OCO2,0
CCCCCCCCCOC[C@H](O)COc1ccccc1[N+](=O)[O-],0
O=c1ccn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]1,0
COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c1OC,1
Cc1ccc(/C=C2/CNC/C(=C/c3ccc(C)cc3)C2=O)cc1.Cl,1
CC(=O)OCC1C(=O)OCC1C(=O)N1Cc2cc3ccccc3nc2C1,1
CCN(CC)c1ccc(C=Cc2cc(C)c3ccccc3n2)cc1,1
Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1[N+](=O)[O-],0
COc1ccc(C(=O)c2ccc(-n3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)cc2)cc1,1
ClCCOCCOc1ccc(Cl)cc1Cl,0
COc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(OC)cc2)cc1,1
COc1ccc([C@H]2OC[C@](C)([N+](=O)[O-])CO2)cc1,0
O=C(c1ccccc1)c1ccncc1,0
COc1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1OC,0
CC1(C)O[C@@H]2[C@H](O1)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2c1c[nH]c2c(N)ncnc12,1
CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C.[Cl-],1
Cc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12.Cl,1
O=C(c1ccccc1)C1C(c2ccccc2)C1[N+](=O)[O-],0
C[C@@H](NCCc1ccccc1)C1CCOC1=O.Cl,0
CC[C@H](C)[C@@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2C=CCN2C(=O)C(C)O)[C@@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@H]1O,1
Nc1c(Cl)cc(Br)c(Cl)c1Br,0
Nc1nc(N)c2cc(Sc3cccc(C(F)(F)F)c3)ccc2n1,1
Cc1nn(C)c(=S)n(C)c1=O,1
O=C(CC(=O)Nc1ccccc1Cl)NNC(c1cc(N=Nc2ccc(Br)cc2)ccc1O)[PH](=O)O,1
COC(=O)N=C(NC(=O)OC)Nc1ccc(Oc2ccccc2)cc1NC=O,1
CCN1Cc2nc3sc(C)c(C)c3c(=O)n2C=C1C,1
Nc1cc(Cl)cc(S(=O)(=O)O)c1O,0
Nc1ccc(S(=O)(=O)O)c(O)c1,0
O=[N+]([O-])c1cccc2c1[nH]c1c(-c3ccccc3)nccc12,1
Oc1c2c(c(O)c3ccccc13)C1(N=N2)c2ccccc2Oc2ccccc21,1
CO[C@H]1O[C@H](CO)[C@H](N=C(C)C)[C@@H]1O,0
N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1,1
COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2n2cc(Cn3cc(F)c(=O)[nH]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1,1
CCOC(=O)C12CCCCC1OC(=N)C2,0
Cc1cccc(-c2cc(=O)c3ccc(C)nc3[nH]2)c1,1
NC(=O)c1ccc[n+](CCc2ccccc2)c1.[Br-],0
O=C(C1=C(c2ccccc2)CCC1)c1ccccc1,0
C[C@H](c1ccccc1)n1c(N)c(-c2nc3ccccc3s2)c2ccc([N+](=O)[O-])cc2c1=O,1
CN(C)CCNC(=O)c1cccc2c1nc(-c1ccccc1)c1ccccc12.Cl,1
Oc1ccc2oc3c(O)c4ccccc4cc3c2c1,1
COc1ccc(N2C(=O)C(Cl)[C@H]2c2cc3cc(Br)ccc3nc2Cl)cc1,1
N=C(CC(=O)n1nc(-c2ccccc2)cc1N)c1ccccc1,1
COc1ccc(OC[C@@H](CO)N2CCN(c3ccccc3)CC2)cc1,0
Nc1ncnc2c1CN(Cc1ccccc1)CC2,0
COc1cc2c(cc1OC)C(=O)/C(=C/c1cc(C)cc(C)c1)C2,1
COc1ccc(C(O)=NCCN(C)C)c2nc3ccccc3nc12.Cl,1
C[C@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O,1
CC[n+]1cccc(O)c1.[Br-],0
COCCCN(C(=O)c1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
COc1ccc(/C=C(\C)[N+](=O)[O-])cc1,1
c1ccc(COC(CN2CCOCC2)c2ccccc2)cc1,0
O=C1C[C@@H](Sc2ccccc2)C2(OCCO2)[C@H]2ON3CCC[C@@H]3C12,1
CCCCCCCCCCCCCCCCC(=O)O,0
O=c1c(Br)ccc(Br)cc1Br,1
CCOC(=O)c1c(O)c(O)n(Cc2ccccc2)c1C(=O)OCC,0
CNC(=O)c1ccc(N)cc1,0
CN1[C@H]2CC[C@@H]1[C@@H](COC(=O)c1ccccc1)[C@@H](O)C2,0
COc1ccc(NP2(=O)NCCCN2)cc1,0
O=C(NC(=S)Nc1cccc(O)c1)c1ccco1,0
S=C1NC2(CCCCCC2)NN1c1ccccc1,1
CCOC(CCCCCOCc1ccccc1)OCC,0
COc1ccc(-n2c(O)c3c(c2O)-c2[nH]c4ccccc4c2C(C)C3)cc1,1
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2ccc3oc(=O)ccc3c2)cc1,1
Cc1cc(C)c(NS(=O)(=O)c2ccccc2)c(C)c1,0
Br.CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(C=CC(=O)C(C)(C)CN2CCCCC2)cc1,1
CCN(CC)CCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12.I,1
CNS(=O)(=O)c1ncnc2[nH]cnc12,0
Cc1cc(C)c2c(=O)cc(-c3cccc(Cl)c3)[nH]c2n1,1
CCCCC=C(C)C(C#N)(CC)C(=O)OC,0
CSC1=Nc2c(c(C)c(-c3ccccc3)n2CCCC(=O)O)C2=NC(=O)C[C@H](C)N12,0
C=CCONC(=O)Oc1ccccc1,0
NC(=S)NN=Cc1nccc2c(N)cccc12,1
CCCNC(=O)Nc1ccc(C)cc1C,0
C[N+](C)(C)CC1Cc2ccccc2C1=O.[I-],1
CNC(=O)NC[C@@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H]2OC(=O)C[C@H]21,0
COc1ccccc1C#C/C=C\C#Cc1ccccc1C#N,1
CCCC[Sn+2]CCCC.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F,1
CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1,1
C[C@]12CC[C@@H]3[C@H](CC[C@]45OC4C(=O)C4O[C@H]4[C@]35O)[C@@H]1CCC2=O,1
COc1cccc2c1C(=O)c1ccc3cc(CCl)cc(O)c3c1C2=O,1
O=C(N/N=C/c1ccccc1Cl)c1cccc2ccccc12,0
COc1ccc(-c2cn3ccnc3c(-c3ccc(Cl)cc3)n2)cc1,1
CCOC(=O)c1csc(NC(=O)COc2cccc(/C=C3\CSc4ccccc4C3=O)c2)n1,1
COc1ccc(-n2c(COc3ccc(F)cc3)n[nH]c2=S)cc1,0
COc1cccc2c1CCC(=O)C2,0
CCN(CC)C(=O)c1ccccc1Cl,0
Nc1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1,0
CCC(CC)NCCOC(=O)c1ccccc1.Cl,0
c1ccc([Sn](Sc2cccc3cccnc23)(Sc2cccc3cccnc23)c2ccccc2)cc1,1
COc1cc2c(cc1OCCCCN1CCN(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3Cl)CC1)N=CC1CCCN1C2=O,1
O=C1C(Br)=CC2(C=C1Br)CCN=C1C(=O)c3cccnc3C(=O)C12,1
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(/N=C/c5ccc(C(=O)OC(C(=O)O[C@H]6C[C@@]7(O)[C@@H](OC(=O)c8ccccc8)[C@@H]8[C@]9(OC(C)=O)CO[C@@H]9C[C@H](O)[C@@]8(C)C(=O)C(OC(C)=O)=C(C6C)C7(C)C)[C@@H](NC(=O)c6ccccc6)c6ccccc6)cc5)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
Oc1ccc2c(c1)OCCOCCOc1cc(O)ccc1OCCO2,0
O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@@H]1c1cccc2ccccc12,1
C1=C(c2ccccc2)C2CCCCC2C1,0
CSc1nc(S(C)(=O)=O)nc2[nH]c(=O)[nH]c12,0
Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1,0
O=C(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1,0
CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]1[C@@H]32,0
CCSC[C@@H]1C[C@@](O)(c2c(C)nn(Cc3ccccc3)c2C)C(=O)O1,0
ON=C(O)c1cc(O)c(O)c(O)c1,0
COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2C=C[C@@H]1NC2.Cl,1
CCN(CC)CCC[C@@H](C)Nc1ccnc(/C=C/c2ccc(Cl)cc2)c1,1
CC1(C)CC=C[C@@H](COC(=O)c2ccccc2C(=O)O)C1,0
COc1cc(/C=C2\Oc3cc(OCC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc(OC)c1OC,0
N=C(N)NS(=O)(=O)c1ccc(N=C2C(=O)Nc3ccccc32)cc1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4,1
CCC1(CC)[C@H](OC)NC(Br)=C(C#N)[C@@]1(C#N)C(N)=O,0
C=CCNc1ncnc2c1cnn2C.Cl,0
CCN(CC)CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC,1
COc1cc([C@H]2c3cc4c(cc3[C@@H](NCCN(C)C)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0
O=C1NC(=O)C2(CCCCCC2)N1,0
Br.COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N/NC1=NCCN1,1
C/C=C1\[C@@H](O)C[C@H]2[C@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,0
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,0
O=C(c1ccccc1)N1OCCC1Nc1ccc(Br)cc1,1
O=C1C(=Nc2cccc(Cl)c2)C(Cl)C(=O)N1Cc1ccccc1Cl,1
CCCCCCN(CCCCCC)C[C@H](O)c1ccc2c3c(cccc13)CC2,1
O=c1[nH][nH]c(=O)c2cc([N+](=O)[O-])ccc12,0
CCC[C@@H](C)C(CC)(C(=O)OCC)C(=O)OCC,0
CC1(C)C(N2CCCCC2)CS1(=O)=O,0
O=C(Nc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O,0
CCn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c21,0
NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1Cl,0
CCN(CC)CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC,1
O=[N+]([O-])c1cc(Cl)ccc1SSc1ccc(Cl)cc1[N+](=O)[O-],0
Nc1ncc(C(=O)O)c(-c2ccccc2)n1,0
CC(=O)O[C@@H](C)c1cc2c(s1)C(=O)c1scc([C@H](C)OC(C)=O)c1C2=O,1
O=C(O)CCN1CCN(CCC(=O)O)CC1,0
CN(Cc1ccccc1)CC(Cl)c1ccccc1.Cl,0
Clc1ccc(Cl)c2ccccc12,0
ICI,0
COc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1OC,1
CC1CC2Oc3ccc(Cl)cc3C(=O)N2O1,0
O=C(C=Cc1ccc2ccccc2n1)c1cc(Cl)ccc1O,1
C[C@H]1O[C@H](O[C@@H]2C[C@](O)(C(=O)CF)C=C3C(=O)c4c(c(O)c5ccccc5c4O)C(=O)C32)C[C@@H](N)[C@H]1O,1
Oc1c(Cl)cc(Cl)cc1C(c1cc(Cl)cc(Cl)c1O)C(Cl)(Cl)Cl,1
O=S(=O)(NC1CCCCC1)c1ccccc1,0
CNC(=O)C(C)C,0
COC(=O)/C=C\C(C#N)(C#N)/N=C/c1sccc1C,1
COc1cccc(N2CCN(c3cccc(C)n3)CC2)c1,0
Clc1ccc(NN=C(c2ccccc2)c2ccccn2)nc1,1
COc1cc(CN[C@@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc(OC)c1,1
Cc1ccc(/C=C2\CCCC(=Cc3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1,1
O=C(O)CSc1c(Cl)c(=O)oc2ccc(Cl)cc12,0
CCCCCCCCCC[n+]1ccn(C)c1.[Cl-],1
CN(C)C[C@@]1(C)Cc2ccsc2[C@@H]1O,0
Nc1nc(SC2CCCCC2)c2[nH]cnc2n1,0
CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc(OC)cc3OC)c2c1,0
Cc1ccc(CCNC(=S)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)cc1,1
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12,1
NS(N)(=O)=O,0
O=C1COc2cccnc2N1,0
Cc1ncc(CO)c(C)c1O.Cl,0
CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,1
COc1ccc2c(ccc3c(C(=O)NCCN(C)CCNC(=O)c4cn(C)c5c4ccc4cc(OC)ccc45)cn(C)c32)c1,1
O=C(O)c1cccc2c1-c1c(cccc1[N+](=O)[O-])C2,0
CCc1c(CO)c(-c2nc(C(=O)OC)cc3c2[nH]c2ccccc23)nc2cc(N(S(=O)(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)ccc12,0
O=C(CN1CCOCC1)N1CCOCC1,0
NCC1CCC(C(=O)O)CC1,0
O=C1CC2(CCN1)CCN(Cc1ccccc1)CC2,0
COC1C(=N)C(=O)c2nc(C)ccc2C1=O,1
O=C(O)C(C1CCCCC1)C1(O)CCCC1,0
Clc1nc(Cl)nc(-c2cccn2-c2ccccc2)n1,0
COc1cccc(C=Cc2cc(OC)c(OC)c(OC)c2)c1,1
Cc1nc(N)nc(N)c1Oc1ccc(Cl)cc1,0
CCSc1nnc(NC(=O)COc2ccc(Cl)cc2C)s1,0
Cc1ncc(N)c2c1OC(C)(C)OC2,0
O=C1C=C(Nc2ccccc2)C(=O)C=C1Nc1ccccc1,0
Nc1ccc2c(c1)[C@@H](O)c1cccc(C(=O)O)c1-2,0
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n(CCCc2ccccc2)c1=O,0
C/C=C\C1=NCCN1CCO,0
COc1cc2c3c(n(CCCNCCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
C=c1c2c(O)c3c(O)c(C)c4c(c3c1OC(C)=O)=C(OCO4)/C(C)=C/[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](OC(C)=O)C(C(=O)OC)[C@H](O)[C@H](C)[C@H](O)[C@@](C)(O)C=CC=C(C)C(=O)N2,0
CC(=O)Nc1ccc2c(c1)C(=Nc1ccc(C)cc1)c1ccccc1-2,0
Cc1ccc(-c2cn3ccnc3c(-c3ccc(Cl)cc3)n2)cc1,1
CC(=O)N(CC(=O)N(CC(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
CCO[Si](OCC)(c1ccccc1)c1ccccc1,0
CC1(C)CC(=O)C(c2ccccc2)(c2ccccc2)C(=O)C1,0
O=C1NC(=S)NC(=O)C1=Cc1cccc(Cl)c1,0
Cc1oncc1N=C1CC(=O)C(=O)c2ccccc21,1
CC(C)=CC=CC(C)c1c(O)c(O)c(C)c(O)c1Nc1ccccc1Cl,1
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCN[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c(OC)c2)ccc1OC(=O)CCN[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,1
CN(C)C=Nc1cc(Cl)ccc1Cl,0
O=C1c2ccccc2C(=O)c2c1oc(=O)c1ccccc21,1
CNc1ccc([N+](=O)[O-])cc1,0
COC(CCP(=O)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1,1
O=Nc1c(-c2c(O)[nH]c3ccc(I)cc23)[nH]c2ccccc12,1
Cn1c(=O)nc2n(-c3cc(Cl)ccc3Cl)c3ccccc3nc-2c1=O,1
O=c1cc(CCl)[nH]nc1CCl,0
CCCCCC(=O)N1CCCC1,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCn4ccc(CO)c4CO)cn3C)cn2C)cn1C,1
CN(C)CCC[C@@](C#N)(c1ccccc1)C1CCCCC1.Cl,0
CCCCCC[C@@H](C)NCCO,0
NC(=O)C1(NC2CCCCC2)CCN(Cc2ccccc2)CC1,0
Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,0
O=c1c2ccccc2c(=O)n(-c2ccccc2)n1-c1ccccc1,0
O=C(NCc1ccco1)Nc1cccc2ccccc12,0
O=C1NC(=S)NC(=O)C1=Cc1c[nH]c2ccccc12,1
C=CCCCCCCCCC(=O)[O-].CCCC[Sn+](CCCC)CCCC,1
CC(C)C(=O)NCc1ccccc1,0
Cc1cccnc1Br,0
CC(CC(C)(C)N1CC1)=NO,0
O=S(=O)(O)c1ccc(N=Nc2ccc(O)c3ccccc23)cc1.[Na+],0
CCOC(=O)c1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O,1
Nc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1,1
N#CCC(=O)c1ccc(N)cc1,0
CC(=O)CN1CCCCC1,0
CN(N=O)c1ccc([N+](=O)[O-])cc1,0
CC(=O)N(C)c1cccc2ccccc12,0
COc1ccc(-c2cc(-c3cccs3)n(N=O)c(=O)c2C#N)cc1,0
CCCn1c(=S)sc2c(=O)[nH]c(C)nc21,0
COc1cc(-c2ccc(NC(=O)NC3CC3)c(OC)c2)ccc1NC(=O)NC1CC1,1
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
NC(=O)OCCc1ccccc1,0
COCC(=O)[C@]1(O)C=C2C(=O)c3c(c(O)c4c(OC)cccc4c3O)C(=O)C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@@H](C)O2)C1.Cl,1
C=CCOn1c(C=C)nc2c(C)cccc21,1
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O,1
CCCCN(CCCC)P(=O)(Oc1ccccc1)Oc1ccccc1,1
CC1=Nc2ncncc2NC(=O)C1,0
O=C(O)c1cc(Br)c(O)cc1O,0
O=C(O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1,0
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],1
O=C(NN=Cc1c(O)ccc2ccccc12)C1CC1,1
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@H]5CO[C@@H](c6ccco6)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
CCN(CC)CCSc1c2ccccc2nc2c(OC)ccc(OC)c12,1
[N-]=[N+]=Nc1c([N+](=O)[O-])c(Cl)nc2ccccc12,1
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3ccccc3)C2)cc1,1
Oc1ccc(Cl)cc1,0
Cc1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1,0
CCCCSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
CCOC(=O)C(Cl)(Cl)Cl,0
CC1(C)C2CCC1(C)C(S)C2,0
CC[C@@]1(C(N)=O)C[C@@H]2C=C[C@H]1C2,0
C[C@@H]1Cc2ccccc2O1,0
CC(CC(=O)NNc1ccc([N+](=O)[O-])cc1)=NNc1ccc([N+](=O)[O-])cc1,1
CCCCc1[nH]ccc2c(C)c3nc4ccccc4c3cc12,1
CC1=C(C#N)C(=O)NC1(C)O,0
COc1cc(OC)c2ccc(=O)oc2c1,0
COC(=O)C(Cc1c[nH]cn1)NC(=O)CCCn1c(C)c(C)c2c1nc(SC)n1cc(O)nc21,0
COc1ccc2c(c1)nnc1c3cccnc3[nH]c21,1
COc1ccc(-c2ccc(OC)c(OC)c2OC)cc1,1
Cc1ccc([C@H](Cc2ccccc2)NC(CO)(CO)CO)cc1.Cl,0
C=CCN=C(NC#N)SC,0
CCOc1ccc(NC(=O)Nc2ccc(OCC)cc2)cc1,0
CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@H]1O,1
Cc1ccc(C2(C(=O)O)CCCCC2)cc1,0
O=C(O)C1OC1(c1ccccc1Cl)c1ccccc1Cl,0
CC(=O)Nc1ccc(C)c(C)c1,0
Cc1nnc2ccc3ccccc3n12,0
C1=CN2c3c4c(ccc3=C1)=CC=CN4[Ce]213(N2C=CC=c4ccc5c(c42)N1C=CC=5)N1C=CC=c2ccc4c(c21)N3C=CC=4.N#CS,1
ON1CCN=C1c1ccccc1Cl,0
O=[P@@]1(N(CCCl)CCCl)OCC[C@@H]2CCCCN21,0
COc1ccc(C2C3CCC(C3)C2N)cc1,0
COc1cc(C2=NN[C@H](c3ccc(N(C)C)cc3)C2)cc(OC)c1OC,1
COC(C)(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H]1CC=C2[C@@]3(C)[C@H](CC[C@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O[C@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@@H]1O,1
CC1CC(C)C(=NNC(N)=O)C(C(O)CC2CCC(=O)NC2=O)C1,1
CSc1nn(CCC#N)c(=O)[nH]c1=O,0
COc1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccc(N(C)C)cc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
O=P(O)(Cc1ccccc1)c1ccccc1,0
CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1[C@H]2O)OCCO4,1
COC1=C(OC)C(=O)C(SC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=CC1=O,1
COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)n(C)c2cc1C,1
CCc1cccc(CC)c1N1C(=O)CSCC1=O,0
CCCCCCCCCCCC(=NO)c1ccc(O)c2ncccc12,1
[O-][n+]1ccccc1S,1
CC/C(=C\c1ccc(Cl)cc1)c1nc(=O)c2ccccc2[nH]1,0
CC1(C)O[C@@H]2[C@H](O1)[C@H](n1c(I)c(C#C[Si](C)(C)C)c(=O)[nH]c1=O)O[C@H]2CO[Si](C)(C)C(C)(C)C,1
O=C1N(Cl)[C@H]2[C@H](N(Cl)C(=O)N2Cl)N1Cl,0
CCCCOC(=O)C1CC[C@H]2[C@@H]3CCc4cc(OC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)ccc4[C@H]3CC[C@]12C,1
COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)c2ccccc2C3=O)cc1,1
Nc1ccc(C(=O)c2ccc(N)c(Br)c2)cc1Br,1
Cc1ccc(C(=NN=C(N)N)c2ccc(C)cc2)cc1,1
CC(=O)OC(C(=O)[O-])c1ccccc1.CCCC[Sn+](CCCC)CCCC,1
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc(C#N)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
COC(=O)CCc1ccccc1,0
CC(C)(C)c1ccc(OCCCCCCN2CCNCC2)cc1,1
S=c1[nH]c2cc(-c3ccccc3)ccc2o1,0
CSc1nc(N)c2c[nH]nc2n1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCCN(C)C)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C(NCCCCCCNC(=O)NCc1ccco1)NCc1ccco1,0
OCCN1CN(c2ccccc2)C(=S)N(c2ccccc2)C1,0
Cc1nc2ccc(-c3ccccc3)cc2s1,0
Cc1ccc(O)c(NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c1,0
Cc1cc(O)cc(C)c1Cl,0
CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)c3ccccc3n2)cc1,0
Oc1c[nH]c(=S)[nH]1,0
O=C1c2ccccc2C(=O)N1CN1CCOCC1,0
C1CNCCN1.Nc1ccc(S(=O)(=O)O)cc1,0
COc1cccc2c1C(CCCC(=O)O)CCC2,0
O=C(O)c1nnc(C(=O)O)nn1,0
NCc1cccnc1,0
N#Cc1c(Br)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12,1
NC(=O)C=Cc1c[nH]c2nccnc12,1
O=C1C=CC(=O)N1C(=O)NCNC(=O)N1C(=O)C=CC1=O,0
COC(=O)C1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O.[Cl-].[H+],0
COCO[C@@H]1CC[C@H]2C3=C(C=C[C@]12C)C1=C(CC3)CC(=O)CC1,0
Clc1ccc(CSc2ccnc(SCc3ccc(Cl)cc3Cl)n2)c(Cl)c1,0
[O-][S+]1c2ccccc2Oc2ccccc21,0
CC1(C)N=C(N)N=C(N)N1CCCCc1ccccc1.Cl,1
CC(C)SCCCC(=O)O,0
O=C(O)C(F)(F)F.c1ccc(CNCCCNCCCCNCCCNCc2ccccc2)cc1,1
Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,0
CCN(CC)CCC(CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(Cl)cc1,1
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1OC,1
O=C(Nc1cc(Cl)ccc1Cl)[P@](=O)(O)c1ccccc1,0
O=P(O)(O)OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O,1
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](Nc2ncnc3[nH]cnc23)O[C@@H]1[C@@H](O)CO,1
O=C(O)C1[C@H](c2ccccc2)c2ccccc2[C@@H](O)[C@H]1CO,0
COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c(=O)n(C)c3c2cc1OC,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(=O)c4c(-c5ccc(O)cc5O)nc(Nc5cccc(O)c5)nc4[nH]3)cc2)n1,0
Nc1ccn([C@H]2C=C[C@H](CO)O2)c(=O)n1,0
CN(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl,0
Nc1cc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-],1
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NO,1
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1OC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,1
CC(C)Oc1ccc(C(=O)OCCN2CCCC2C)cc1,0
Nc1cc(OCC(=O)O)c(Cl)cc1Cl,0
CN(C[C@H](O)c1ccccc1)c1ccccc1,0
O=C1NC(CCCl)C(=O)NC1CCCl,0
CCS(=O)(=O)Nc1cccc(Nc2c3cccc(C)c3nc3c(C)cccc23)c1OC.CS(=O)(=O)O,1
COC(=O)/C(=C/N1CCN(C(=O)c2ccco2)C1=S)C(C)=O,1
CC(C)[C@@H](Cl)CC[C@](C)(Cl)C(=O)CBr,1
COc1ccc(C(SCC(N)C(=O)O)(c2ccccc2)c2ccccc2)cc1,1
O=C(CCl)NC(Cc1c[nH]c2ccccc12)C(=O)O,0
O=C(Oc1cccc2cccnc12)c1ccccc1,0
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2cccs2)cc1,1
CC(C)(C)C(=O)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-],1
C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.[Cl-],1
COc1cc(OC)c2ccc(=O)oc2c1,0
Clc1cccc(I)c1,0
Cn1c(=O)c2[nH]c(Cc3ccsc3)nc2n(C)c1=O,0
Cc1[nH]c(N)nc(=O)c1CCC#N,0
COc1ccc(OC)c([C@@H]2CCCc3c2cnc2nc(N)nc(N)c32)c1,1
CC(=O)c1ccco1,0
C[C@]12CC[C@@H]3c4ccc(O)cc4C=CC3[C@@H]1CC(=NO)[C@H]2O,0
CN(C)Cc1cc(Cl)cc(CN(C)C)c1O.Cl,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CC(=O)Oc1ccccc1F)C2,1
CCOC(=O)C1CN(C(=O)OCC)CC1=NNC(N)=O,0
Cc1ccccc1Nc1ncnc2[nH]ncc12,0
CCOc1cc(C=CC(=O)C(C(=O)C=Cc2ccc(OC(=O)CNc3nc4ccccc4[nH]3)c(OCC)c2)C(=O)CNc2nc3ccccc3[nH]2)ccc1OC(=O)CNc1nc2ccccc2[nH]1,1
CCOC(=O)C1CCCN1C(=O)C1(NC(C)=O)CCCC1,0
Cc1oc2ccccc2c(=O)c1C(=O)c1ccc(O)cc1,0
Cn1c(=O)c(C#N)c(-c2ccco2)n2c(=S)[nH]nc12,0
C=C1C[C@H]2O[C@@]2(C(=O)O[C@H]2CC[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1=O,1
Cc1c2c3cc(O)ccc3nc-2n(C)c2ccccc12,1
O=C1C=CC(=O)c2c1cc1ccccc1c2O,1
COc1ccc2c(c1)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2,1
COc1ccc(C(=O)c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1,1
Cc1cn([C@H]2C[C@@H](O)[C@H](CNC(=O)CBr)O2)c(=O)[nH]c1=O,1
Nc1ccc2c(c1)nnn2-c1ccccc1,0
CCOC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1,0
CN(C)c1ccc(/C=C/C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc4ccc(Cl)cc4)n3)cc2)cc1,1
CC[C@@H](C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4cc(O)ccc34)[S@@+]([O-])CC(NC(=O)CNC1=O)C(=O)NC(CC(=O)O)C(=O)N1C[C@H](O)CC1C(=O)NC([C@H](C)[C@@H](O)CO)C(=O)N2,1
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)C(C)C(=O)C(C)[C@@H](O)C(C)C(=O)C(C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@@H](C)O)O1)[C@@H]2C,1
NC1=NN(O)C2=CC([N+](=O)[O-])C=CC2=N1,0
CN=C(N)NN=C(c1ccccc1)c1ccc(Br)cc1,1
O=C(c1cccs1)C1NO[N+]([O-])=C1c1cccs1,1
Cc1ccsc1/C=N/NC(N)=S,0
Nc1cc(C(=O)Nc2cccc(C3=NCCN3)c2)ccc1C(=O)Nc1cccc(C2=NCCN2)c1,0
Cn1c(N)c(NC(=S)NC2CCCCC2)c(=O)n(C)c1=O,0
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccncc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
Oc1cc(Br)cc2cc(Cl)cnc12,1
Nc1ncc(-c2ccc(Br)cc2)s1,0
N#CC1=C(c2ccccc2)C(c2nc3ccccc3[nH]2)C2SC(=Cc3ccccc3)C(=O)N2C1=N,1
C[C@]12CCCCC1C(=O)C2(Cl)Cl,1
O=c1[nH]cc(Cc2ccccc2)c(=O)[nH]1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1.CCS(=O)(=O)O,1
COc1ccc2nc(CC(=N)c3ccc(N(C)C)cc3)ccc2c1,0
O=C1C(Cl)=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl,0
CC(O)C(N)=O,0
N#CN=C(N)N,0
COc1cc(OC)c(-c2ccc(OCc3ccccc3)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2,1
COc1cccc(C=NNC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c1O,1
COC(=O)N1CCN(c2ccc(C)cc2)CC1,0
CCN(CC)CCNc1ccc2nnn3c4ccc([N+](=O)[O-])cc4c(=O)c1c23,1
CC(=O)OC1CC2CCC1(c1ccccc1)C2,0
CCOC(=O)c1sc2nc(-c3ccccc3)nn2c1CBr,1
ClCCn1cnc2c(SCc3ccccc3)ncnc21,1
CC1=C[C@@H]2O[C@H]3C[C@H](OC(=O)/C=C/C=C/[C@@H](OCCC4=CC(=O)OC4)[C@@H](C)O)[C@@](C)([C@@]2(CO)CC1)[C@]31CO1,1
O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+],0
CCNC1(C(=O)O)CCCCC1,0
C=CC1(O)CCCCC1,0
OCc1ccc2c(c1)CC1(Cc3ccc(C=NO)cc3C1)C2,1
O=C(CNC(=O)OCc1ccccc1)OC(c1ccccc1)c1ccccc1,0
CC(C)COC(c1ccccc1)c1ccccc1,0
NC(=O)OCC(CO)(c1ccccc1)c1ccccc1,0
CC(=O)OCc1ccco1.Cl,1
O=c1[nH]c(=O)c(=[N+]([O-])O)c(=O)c1=O,0
CCOC(=O)C(=Cc1cccnc1C)C(=O)OCC,1
Cc1cc(Cl)cc2c1S/C(=C1\Sc3c(C)cc(Cl)cc3C1=O)C2=O,0
C1[C@H]2C[C@H]3[C@@H]1[C@H]3/C2=N\N=C1/[C@H]2C[C@@H]3[C@H](C2)[C@H]13,0
CCOc1ccccc1NC(=O)c1cc2ccccc2cc1O,1
O=C(Nc1cc(Cl)ccc1O)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
O=C(OCCc1ccccn1)c1cccc([N+](=O)[O-])c1,0
O=C(CCCCCC1CCCCC1)OCCCl,0
O=C(CCl)c1cccnc1C(=O)O,0
COc1cc(CCC(=O)N=CC(=O)NN=C(C)C)cc(OC)c1OC,0
Cc1nc(Br)c(Br)c(C)c1Br,0
c1ccc(CO[C@H]2CO[C@H](c3ccccc3)OC2)cc1,0
O=c1cc(O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1,0
CC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2)c1,0
CC1(C)C=Cc2c(cc(O)c3c(=O)c4cc(Cl)ccc4[nH]c23)O1,1
CC(C)(C)CC(C)(C)NCc1cc(C(C)(C)C)cc(CNC(C)(C)CC(C)(C)C)c1O,1
CSC(N=CN(C)C)=NN=Cc1ccc(Cl)cc1,0
COCCCN=C1S[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)C1C#N,0
O=C(OC/C=C1\C=C(OC(=O)c2ccccc2)/C(=N/N(C(=O)c2ccccc2)c2ccccc2)O1)c1ccccc1,1
COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2c2ccccc2)OCO4)c1O,1
CCCCOP(N)(=O)OCCCC,0
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)/C=C/c1ccccc1)C2.Cl,0
N#CCCc1ccc(O)cc1,0
CC(C)(CCCCC(C)(C)NC[C@H]1COc2ccccc2O1)NC[C@@H]1COc2ccccc2O1.Cl,1
CCN(CC)CCNc1cccc(Cl)c1,0
CC(=NCc1ccccc1)c1ccccc1O,0
CCCC[Sn+](CCCC)SCC[N-]S(=O)(=O)c1ccc(C)cc1,1
CC(C)Cc1cccc2c1CCCC2,0
O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,1
COc1cc2c(cc1I)-c1c(cc(OC)c(OC)c1OC)CCC2NC(C)=O,1
Fc1cc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)cc2Cl)c(Cl)cc1Cl,0
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C,0
CNC(N)=S,0
O=C(CN1C(=O)c2ccccc2C1=O)c1ccccc1,0
COc1ccccc1NC(=S)NN=C(c1ccccc1)c1ccccn1,1
Cc1ccc(-c2nc(N)c(C#N)c3c2CCOc2c-3ccc3ccccc23)cc1,1
O=c1[nH]cc(S)c(=O)[nH]1,0
CN1CC(=Cc2ccc(Cl)cc2)C(=O)C(=Cc2ccc(Cl)cc2)C1.Cl,1
CC(=O)NCC(O)c1ccc([N+](=O)[O-])cc1,0
COc1c2ccoc2c(OC)c2oc(=O)ccc12,0
O=C(c1ccccc1)C1OC1C(=O)c1ccccc1,1
COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1.O=C(O)C(F)(F)F,1
CN(C)c1ncc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2ccccc12,1
CCOc1cc2c(cc1O)C(=NO)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
Nc1ccc(C(=O)NCCSCCN2CCOCC2)cc1,0
O=C(NN=C1CCCCC1)c1ccc([N+](=O)[O-])cc1,0
Cc1c(N)nc([C@H](CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)N[C@@H](C)[C@@H](O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCN[C@@H](C)c3ccccc3)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)c1c[nH]cn1.O=S(=O)(O)O,1
O=c1cc(CCl)occ1O,0
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1ccccc1,0
CCOC(=O)CN1CCC(C2(c3cc4ccccc4[nH]3)OCCO2)CC1,0
O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(-c2ccccc2)cc1,1
CC(C)c1cc(C(C)C)c(CCN(C)C)c(C(C)C)c1,0
CCN(CC)CCNc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-].O=C(O)C(F)(F)F,1
CC[C@]12C[N@@+]3([O-])CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@H](C3)[C@H]1O2,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccco3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
OC(Cc1ccccn1)C(Cl)(Cl)Cl,0
CC(C)(c1ccccc1)C(C)(C)c1ccccc1,0
O=[N+]([O-])c1cc(Cl)ccc1Cl,0
O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCl)cc1C2=O,1
CN(C)C(C)(CO)CO,0
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1Nc1cccc(C(F)(F)F)c1,1
C=CC[N+](CCO)(CCO)CCCCCCCCCCCCCCCCCC.[Cl-],1
CSc1nc(Cl)cc(-c2ccccc2)n1,0
CN(C)COC(=S)SP(=O)(Oc1ccc(Cl)cc1Cl)SC(=S)OCN(C)C,0
Cn1c(Cl)c(/C=C2/C(=O)Nc3ccccc32)c2ccccc21,1
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCC[Sn+](CCCC)CCCC,1
N#Cc1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,1
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2Cl,1
Cc1ccc([C@H]2NC(=S)N3[C@H](c4ccc(C)cc4)NC(=S)N23)cc1,1
OC[C@H](O)[C@H](O)[C@H](O)c1cnn(-c2ccccc2)n1,0
Nc1c(N[C@H]2C=C[C@@H](CO)C2)c(=O)c1=O,0
O=C1C=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1c1ccccc1,1
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC(=O)C=Cc3ccc(O)c(O)c3)CC[C@@H]12,1
CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1.CS(=O)(=O)O,1
O=C1C(=Cc2ccccc2)C2C(=Cc3ccccc3)C(=O)C(=Cc3ccccc3)C2C1=Cc1ccccc1,1
CCOC(=O)C(Cc1ccc(C)cc1)(NC(C)=O)C(=O)OCC,0
COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,1
COC(=O)N[C@H]1C[C@H]2C=C[C@@H]1[C@H]1C=C[C@H]12,0
CC(C)(C)c1nc2c(o1)/C(=N\c1ccccc1)c1ccccc1C2=O,1
O=C(/C=C/c1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4)c1ccccc1,1
CCOC(=O)C1C[C@@H]2O[C@@H]2CC1C(=O)OCC,0
Oc1[nH]c(O)c2c1-c1[nH]c3ccccc3c1C1CCCC21,1
CC(=NNC(=O)NN=C(C)c1ccccn1)c1ccccn1,1
C[C@H]1CN=C(c2ccccc2)O1,0
N.S=C(S)Nc1ccc(Cl)cc1,0
O=S(=O)(O)c1ccc2ccc(O)cc2c1,0
S=P(Nc1ccccc1)(Nc1ccccc1)c1ccccc1,0
CCCCCCC(=O)c1cccnc1,0
Nc1cccc(C(=O)O)c1,0
CCCCCCC[C@@H](CC(=O)NC(CO)C(=O)N[C@@H](CO)CC(C)C)OC(=O)C[C@H](CCCCCCC)OC(=O)C[C@H](CCCCCCC)O[C@H]1O[C@H](C)[C@H](O)[C@H](O[C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2OC(C)=O)[C@@H]1O,1
O=C(OC1CCCC1)c1ccc(Cl)cc1Cl,0
N=C(N)c1nn(C2OC(CO)C(O)C2O)c2[nH]cnc(=O)c12,1
CCCCCNC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O,1
Cc1cccc2c(N)c3cccc(C(=O)NCCN4CCOCC4)c3nc12.Cl,1
COc1cccc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c1,1
COc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2N(C)C)cc1,0
CN(C)CCNC(=O)c1cccc2[nH]c(-c3ccc(Cl)cc3)nc12.Cl,1
O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCC2)cc1NN=C(c1ccc(O)cc1)c1ccc(O)cc1,1
Cc1cc(N)c(S(=O)(=O)NO)cc1Cl,0
COc1cccc(C2c3cc4c(cc3OC(O)C2C)OCO4)c1OC,1
Clc1ccccc1-c1nc2ccccc2s1,0
CCOC1=C2C=C(c3ccc(F)cc3)C(=O)O[C@@H]2Oc2ccccc21,0
CC(C)(C)NC(=S)NN=Cc1ccccn1,1
S=c1oc(-c2cc(Cl)cc(Cl)c2Cl)nn1CN1CCOCC1,0
Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(Cc1ccccc1)C2,1
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2cc(OC)c(OC)cc12,1
S=C1NCN(CC2CC2)CN1,0
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)C3CCCCC3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
COc1ccccc1CN1CCCO[P@]1(=O)Nc1ccccc1C,0
CCOC(=O)[C@]12CC[C@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC,1
O=C1/C(=C/c2ccncc2)[C@@H](n2cccc2)c2c(Br)sc(Br)c21,1
CC(=O)Nc1cc(C(c2ccccc2)c2ccccc2)cc(C(c2ccccc2)c2ccccc2)c1C,1
C[C@H]1O[C@@H]2C[C@@H](Nc3c2ccc2c3C(=O)c3ccccc3C2=O)[C@H]1O,0
C[C@@H]1CC(=O)NC(=O)N1Cc1ccccc1,0
COc1ccc(C(C)Nc2cc(OC)c(OC)c(OC)c2)cc1,1
C=C[C@@H](COC(=O)C(C)(C)OC(C)=O)c1ccc(OC(=O)C(C)C)c(OC)c1,1
CCCCCCCCCCNP(=S)(Cl)Cl,0
COc1cc(C=C2CC(C)CC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,1
CCN(CC)c1ccc2cc(-c3nnc(-c4ccccc4O)o3)c(=O)oc2c1,1
CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O,1
CCOC(=O)COC(=O)c1ccccc1C(=O)OC,0
N#CCCN(CCC#N)N=Nc1[nH]cnc1C(N)=O,0
NS(=O)(=O)c1ccc(-n2ncc3c2ncn2c(=S)[nH]nc32)cc1,0
CC(C)Oc1c(N(Cc2ccccc2)c2ccccc2C2SCCCS2)c(=O)c1=O,1
CCC1C(=O)NC(=O)C1(C)c1ccccc1,0
CCC(CC)NCCOC(=O)c1ccccc1,0
COc1cccc(CCNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)c1,1
CC(=O)Nc1cc(=O)c2cccnc2[nH]1,0
COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2C(C)=O)cc1OC,0
Fc1cc(-c2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc(Cl)cc2)c(Cl)cc1Cl,0
O=C(/C=C1\Sc2ccccc2N=C1CC(=O)c1ccccc1)c1ccccc1,1
O=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1,0
COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,1
COc1ccc2[nH]c(-c3ccccc3)c(C=C(C#N)C#N)c2c1,1
CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.[O-2],1
Cn1c(=O)c2c(nc(Cc3ccc(N)cc3)n2C)n(C)c1=O,0
Cc1ccc(N2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)cc1,0
CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1(C)C,0
O=C(O)C1C(C(=O)O)[C@H]2CC[C@@H]1CC2,0
Oc1c2c(c(O)n1-c1ccccc1)[C@]1(c3ccccc3)C(c3ccccc3)=NN(c3ccccc3)CN1C2,1
NC(=O)c1ccc(OCc2ccccc2)nc1,0
CCOC(=O)c1ccccc1SC(C[N+](=O)[O-])c1ccccc1,1
CCOC(=O)C=C(C)Sc1cc(O)c2ccccc2c1O,1
N[C@H](N/N=C/c1ccc(Br)cc1)N[N+](=O)[O-],1
CC1CC(=O)C(=O)[C@@]2(C)C1C[C@H]1OC(=O)C(OC(=O)CC3=CCCC3)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]13[C@H]42,1
O=C1C[C@H]2[C@@H](CCC23OCCO3)c2ccc3ccccc3c21,0
CNCCN[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)C2=C(O)OC[C@@H]21)OCO3.Cl,1
COc1cc(C2c3cc4c(cc3OC(NN)C2C)OCO4)cc(OC)c1OC,1
O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(F)c1,0
CC(C)(C)CC(C)(O)C(C)(O)CC(C)(C)C,0
O=C(O)c1cc(N2C(=O)C=CC2=O)cc(N2C(=O)C=CC2=O)c1,0
Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-],0
NS(=O)(=O)c1ccccc1,0
Cc1ccccc1C1(O)c2ccccc2-c2ccccc21,0
O=C(CC(=O)Nc1ccccc1)NN[C@@H](Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O,1
C[C@H]1CCC[C@H](CC(N)=O)CC1,0
CC(=O)OC[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1COC(C)=O,0
CCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,1
CCCCC(C(O)c1ccccc1)N(CCCC)CCCC,0
COc1cc(C(=C(CC(=O)O)C(=O)O)c2ccc3c(c2)OCO3)cc(OC)c1OC,0
COc1ccc2nc(C)cc(NCCCCCCCCCNc3cc(C)nc4ccc(OC)cc34)c2c1,1
CC1CN(Cc2ccco2)C(=S)N(c2ccccc2)C1=O,0
O=c1[nH]c(CN2CCC[C@H]2c2nc3ccccc3s2)nc2sc3c(c12)CCC3,0
CCc1cc(O)c([N+](=O)[O-])c(C)c1[N+](=O)[O-],0
C=CCCCCCCCCCC[C@]1(O)C=CC2=[N+](CCCCCN=C(N)N)CCCN21.Cl.[Cl-],1
C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1,1
C=C1C(=C)C(=O)C(c2cc(O)c3ccccc3c2O)=C(C2=CC(=O)c3ccccc3C2=O)C1=O,1
COc1ccc([C@@H]2CCc3cc(OC)c(OC)cc3[C@H]2NC=O)cc1OC,0
[I-].c1ccc([P+](CCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
COc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1OC,0
NC(=O)NC(=O)c1nccnc1C(=O)O,0
O=[N+]([O-])c1ccc(O)c(CNCc2ccccc2)c1,0
CC(=O)OC(C)C(=O)c1c2cccc(O)c2c(O)c2c(O)cc(C)cc12,1
Nc1nc(=O)c(N=Nc2ccc(S(=O)(=O)c3ccc(N=Nc4c(N)[nH]c(N)nc4=O)cc3)cc2)c(N)[nH]1,0
CC(CC(C)(C)C)C(=O)NC(N)=O,0
COc1cc2c(cc1OCCCCN1CCN(C(=S)SCCC(C#N)(c3ccccc3)c3ccccc3)CC1)N=CC1CCCN1C2=O,1
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccccc3)[C@H]3COC[C@H]23)OCO4)cc(OC)c1O,1
CC(=O)CCN1C(=O)c2ccccc2C1=O,0
COc1ccc(-c2cncn2-c2cc(OC)c(OC)c(OC)c2)cc1F,1
O=[N+]([O-])C=CC(F)(F)F,0
CC=C(CCC1NCCC2c3ccccc3NC12)[Si](C)(C)C,1
C=CC(=O)Nc1ccccc1,0
COc1ccccc1NC(=O)N(O)C1(C#N)CCCCC1,0
CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3O,1
O=c1nc2c(c[nH]1)CCc1cn(-c3ccccc3)cc1-2,0
COc1cc(C2c3cc4c(cc3C(NC(=O)c3ccc(C(C)=O)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CC(=O)C1COC(=O)C1,0
O=C1c2[nH]c(=O)[nH]c(=O)c2CN1Cc1ccccc1,0
CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2C=CCN2C(=O)C(C)O)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)CC1O,1
CCOC(=O)C1CCCCC1C(=O)OCC,0
CN(C)CCCCC(C(=O)CBr)(c1ccccc1)c1ccccc1,1
COc1ccccc1/C=C(/C(=O)c1ccccc1)c1ccccc1,0
S=C(NCc1ccccc1)C(=S)NCc1ccccc1,0
O=C(CN1C(=O)c2ccccc2C1=O)N1CC1,0
Nc1ncnc2c1ncn2[C@]1(CF)O[C@H](CO)[C@@H]1CO,0
O=C(O)CC(c1ccccc1)C(C(=O)O)c1ccccc1,0
Cc1ccc(S(=O)(=O)CC#N)cc1,0
COc1ccc(C2OCCO2)cc1,0
COc1ccc(Cn2c(C)nc3c2C(=O)c2ccccc2C3=O)cc1,1
O=S(=O)(O)C(Br)(Br)Br,0
COc1ccccc1C1C2=C(COC2=O)Oc2cc3c(cc21)OCO3,1
O=C1NC(=O)C2(CCCC2)N1,0
Cc1cccc(N2CCC3(CC2)C(=O)NC(=O)NC3=O)c1,0
Cc1cccc2[nH]c3c(c(O)cc4[nH]c5cccc(C)c5c(=O)c43)c(=O)c12,1
CC(=O)c1ccc(Oc2ccc(C(C)=NN=C(N)N)cc2)cc1.ON(O)O,1
Br.C(CSC1=NCCN1)CSC1=NCCN1,0
CC(CCc1ccccn1)C(=O)c1ccccc1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
C=C1[C@H](OCC(C)C)[C@@H](OC(=O)C(C)CC)[C@@H](O)C(C)(C)C=CC(C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@H]1OC(=O)C(C)CC,1
O=S(=O)(c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1,0
O=[P@]1(c2ccccc2)Nc2ccccc2N1c1ccccc1,0
NC(=O)C1(Nc2ccccc2)CCCC1,0
c1ccc(-c2cnc(C3CCCCC3)o2)cc1,0
CCOc1cccc(C=Nc2ccccc2SSc2ccccc2N=Cc2cccc(OCC)c2O)c1O,1
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)cnc2n1,1
S=c1[nH]cnc2[nH]cnc12,1
C[N+](C)(C)CC(=O)O.[Cl-],0
O=C(C=Cc1ccc(Br)cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,1
CCOC(=O)/C(C#N)=C(\C)c1ccccc1,0
Cc1ccc(C(=O)Cc2ccccc2)cc1,0
CCN(CCNc1ccc(C)c2sc3ccccc3c(=O)c12)CC(C)(C)O.Cl,1
COC(=O)C1=C(C(=O)O)CCCCCC1=O,0
C=C1C(=O)O[C@H]2[C@H](OC(C)=O)[C@@H](C)CCC/C(C)=C/CC[C@]3(CO3)[C@H](O)C[C@@H]12,1
CCCC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,1
CSc1nc(=O)cc(C(=O)O)[nH]1,0
Cc1ccc2[nH]c3c(C)c4c(c(C)c3c2c1)CN(C)C=C4,1
NNC(=O)Cc1cc(=O)[nH][nH]1,0
Cc1cccc(C=NNC(=S)Nc2ccccc2)n1,1
CC(=O)c1ccc(N=Nc2c(N)[nH]c(N)nc2=O)cc1,0
Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,1
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc(F)cc3)[C@H]3COC[C@H]23)OCO4)cc(OC)c1O,1
C=c1nc2sc(C)cn2c1=Cc1c(O)[nH]c2ccc(F)cc12,1
N#CC1C(=O)NC(c2ccccc2)=C[C@@H]1c1ccccc1,0
OCC1CCCCC1,0
CC(C)=CCC/C(C)=C\C(N)=O,0
Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,0
CCN1CCCSC1=S,0
CCCCC1(CCO)C(=O)NC(=S)NC1=O,0
O=C(c1ccccc1)c1cc[n+](C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1,1
CCC(C(=O)OC)C(=O)c1ccccc1,0
Cc1cccc(NC(=S)N(CCC#N)C2CCCCC2)c1,0
CC(C)CN1CCC(=O)NC1=S,0
CCCCC1(CC)COC(C)(c2ccccc2)OC1,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NNC(=S)NCc4ccccc4)ncnc32)cc1,1
CC(CN1CCCCC1)=NO,0
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1cccc(Cl)c1,1
O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,1
CN1c2ccccc2[Sn](C)(C)c2ccccc21,1
COc1cc(C(=O)NC(=S)Nc2csc(-c3ccc(F)cc3)n2)cc(OC)c1OC,0
Nc1ccccc1C#C/C=C\C#Cc1ccccc1C#CCO,1
Cc1cc2nc(CC(C(F)(F)F)C(F)(F)F)oc2cc1C,1
O=C1c2ccccc2C(=O)c2c(NC[C@H](O)CN3CCOCC3)cccc21,0
Cc1cc(NCCCN(C)C)c2ccc3c(ccc4c(NCCCN(C)C)cc(C)nc43)c2n1.Cl,1
C[C@H](Cl)CN(C)Cc1ccccc1.Cl,0
COc1ccccc1Cn1c2c(c3c(C(=O)NCCN(C)C)c(O)ccc31)C(=O)c1ccccc1C2=O,1
COC(=O)c1[nH]cnc1[N+](=O)[O-],0
COc1cc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)cc(OC)c1OC,1
CC(=NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(C(C)=NNC(=S)Nc2ccc([N+](=O)[O-])cc2)n1,1
Cn1cc(C2NC(=O)c3ccccc3N2)c2ccccc21,1
COc1cc(C=C2CCCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,1
CC(=O)NC1=C(N2C[C@H]2C)C(=O)C(NC(C)=O)=C(N2C[C@H]2C)C1=O,0
N#Cc1c(NC(=O)c2ccco2)[n+]([O-])c2ccccc2[n+]1[O-],0
COc1ccc2c(c1)C(=Cc1cc(OC)c(OC)c(OC)c1)C(=O)N2,1
O=C(O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccc(Cl)c(Cl)c1,0
C[n+]1c2ccccc2c(Nc2ccc(N3CCCCC3)cc2)c2[nH]c3ccccc3c21.[Cl-],1
CC(C)(C)CC(C)(C)N(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1,1
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccc(O)cc1,1
CCN(CC)CCC[C@H](C)Nc1ccnc2c(OC)cccc12,0
CC(=NO)c1ccc(Nc2nc3ccccc3c3occc23)cc1,1
Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1,1
CC(C)(C)c1cc(C(=O)C=Cc2cc[nH]n2)cc(C(C)(C)C)c1O,1
COc1cc2c3c(n(CCCN(CCO)CCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
O=C(NCCCCC(Cl)C(=O)O)c1ccccc1,0
Oc1ccc(C=NNc2nnc(NN=Cc3ccc(O)cc3O)c3ccccc23)c(O)c1,1
O=c1[nH]c(=S)c2[nH]c(=S)n(-c3ccccc3)c2[nH]1,0
CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1c1ccccn1,0
Nc1cccc2cccc([N+](=O)[O-])c12,0
Cn1c(C=C[N+](=O)[O-])cc2ccccc21,1
Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(OC3C(=O)NN)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,1
COc1cccc2[nH]cc(C(=O)C(=O)Nc3cc(C)on3)c12,0
ON=C(C1CC1)C1CC1,0
CCCCCSc1c(Cl)c(Cl)c(SCCCCC)c(Cl)c1Cl,0
ClCc1nn(-c2ccccc2)c(CCl)c1CCl,1
O=C(OCCOC(=O)N1CC1)N1CC1,0
COc1ccc(N=C2CSc3nnc(-c4cc(F)c(Cl)cc4Cl)n3N2)cc1,1
CN(CCCN(C)CCC1CCCCC1)CCC1CCCCC1.Cl,1
Cl.[O-][n+]1c2cc(CN3CCOCC3)c(CN3CCOCC3)cc2[n+]([O-])c2c(O)cccc21,1
CN1CC[C@@](O)(c2ccc(F)cc2)C(C(=O)c2ccc(F)cc2)C1,0
CCc1ccc(C(C#N)=CC=Cc2ccccc2)cc1,1
O=[Se]([O-])[O-].[Na+].[Na+],1
O=C(CCl)N1c2ccccc2Oc2ccc3ccccc3c21,1
COc1cc2[nH]c(-c3ccc(-c4nn[nH]n4)cc3)nc(=O)c2cc1OC,0
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CCCC(N)C(=O)[O-])[C@H]2SC1.[Zn+2],0
CCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CNCCN(CC)CC)c(OCC)c2)ccc1OC(=O)CNCCN(CC)CC,1
O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccc(Cl)cc1,1
COc1ccc(CCC(=O)O)c(C(CC(=O)O)C(=O)O)c1OS(=O)(=O)c1ccc(C)cc1,0
CC(=O)O[C@@H]1C=C2CC(=O)C3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(OC)cc1,0
COc1cc(C2=C(C#Cc3ccccc3)COC2=O)cc(OC)c1OC,1
CCCCCCCCCCCC[SH](C)C,1
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=S)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,1
Cc1ccc(OCc2ccccc2)cc1,0
Cc1ccccc1N1CCNCC1.Cl,0
CCOC(=O)COc1ccccc1/C=C1\CCC(CN(C)C)C1=O.Cl,1
Cc1cc(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C)o1,0
OC(COc1ccccc1)COc1ccccc1,0
CC(=O)[O-].Cc1c2cc[n+](C)c(C)c2cc2c1[nH]c1ccccc12,1
CC(=O)Nc1ccccc1[N+](=O)[O-],0
CCOC(=O)C(=O)N=Nc1nc2c(O)c3ccccc3c(O)c2s1,1
Cl.O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)cc1,0
O=c1oc2ccccc2cc1-c1csc(Nc2ccc(F)cc2)n1,1
Cc1ccc(Nc2cc(O)c(NO)c3ccccc23)cc1,1
CC(CCc1cccc2ccccc12)(C(=O)O)C(=O)O,0
COc1ccc2cc(CNCCOCCOCCNCc3ccc4cc(OC)ccc4c3)ccc2c1.Cl,1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1,0
Cc1cc(C(C)C)c(C)cc1C(C)C,0
ClC1C2CC(c3ccccc32)C1Cl,0
O=NN(Cc1ccccc1)Cc1ccccc1,0
Cc1cc(C)c(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1,0
OCC1(CO)CCCC(CO)(CO)C1O,0
CCOc1cccc(Cc2c[nH]c(=O)[nH]c2=O)c1,0
Cc1ccc(C2(C)OCCCO2)cc1,0
Nc1nc(N)c2c(n1)CCC(S(=O)(=O)c1ccc3ccccc3c1)C2,1
CN(C)c1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1,1
CCC(C)(C(C#N)C(N)=O)C(C#N)C(N)=O,0
CN(C)S(=O)(=O)Nc1cccc(Br)c1,0
CS(=O)(=O)c1ncc(Br)cn1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1.CCS(=O)(=O)O,1
Cc1ccc(S(=O)(=O)N/N=C2\CCCc3ccccc32)cc1,0
Cl.O=C1/C(=C/c2ccccc2)CNC/C1=C\c1ccccc1,1
CC(=O)N=C(N)NN=C(C)C=NN=C(N)NC(C)=O,0
CC12CCCC(CC(=O)O)(C1)NC(=O)C2,0
CCOC(=O)CCC(NC(=O)c1ccc(NC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)cc1)C(=O)OCC,1
CCC(=O)OC1CCC(C(C)CC)CC1,0
O=C(NCc1ccccc1)Nc1cc(Cl)ccc1Cl,0
Cc1ccccc1Nc1nc(N)nc(C)c1Br,0
COc1cc(OC)c2cc(C(=O)O)c(=O)oc2c1,0
CCN1C(=O)NC(=O)C2(CCCC2)C1=O,0
CN(CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,1
COc1cccc2c1O[C@H](c1ccc(Cl)cc1)C([N+](=O)[O-])=C2,1
CCOC(=O)C(Cc1ccc(O)cc1)Nc1nc(=O)c2c(=O)oc(Cl)cc2o1,1
COc1cc(N[C@@H]2CCCC[C@@H]2O)c2nc(-c3ccc(Cl)cc3)ccc2c1,1
CC(OC(=O)Nc1cccc(Cl)c1)C(=O)OC1CCCCC1,0
O=c1c2c3c(sc2n2c(CSc4nn5cc(-c6ccccc6)nc5s4)nnc2n1Cc1ccccc1)CCCC3,0
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C(=O)COS(=O)(=O)c3ccc(Br)cc3)CC[C@@H]12,1
COc1cc[n+]([O-])cc1,0
O=C(Cc1ccccc1)NCO,0
O=C(C=Cc1ccccc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,1
CN(C)CCNC(=O)c1cccc2cc([N+](=O)[O-])ccc12.Cl,1
CCOC(=O)C1=CC[C@@H](n2cc(F)c(=O)[nH]c2=O)O1,0
CC1=CSC2=NCCCCN12,0
C#C[C@@]1(O)[C@H](CO[P@](=O)(O)OC[C@@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)O[C@@H](n2ccc(N)nc2=O)[C@H]1O,1
C1CCC(N2CCN(C3CCCCC3)CC2)CC1.Cl,0
C=CCCC1(CC)C(=O)NC(=O)NC1=O,0
Br.COc1ccc(C(=O)C(CN(C)C)c2ccccc2)cc1,1
COc1cc([C@@H]2c3cc4c(cc3[C@@H](/N=C/c3ccc(C(=O)OC(C(=O)O[C@H]5C[C@@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]7[C@]8(OC(C)=O)CO[C@@H]8C[C@H](O)[C@@]7(C)C(=O)C(OC(C)=O)=C(C5C)C6(C)C)[C@@H](NC(=O)c5ccccc5)c5ccccc5)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C1OCCC1=NO,0
O=C1C=Cc2c(Cl)sc(Cl)c21,1
O=C(O)CCSc1nc2ccccc2s1,0
COc1cc2c(C=C3C(=O)N(C)c4ccc(O)cc43)c[nH]c2cc1C,1
COC(=O)/C=C\C(C#N)(C#N)/N=C/c1ccsc1,1
CCN(CC)C(=S)NN=Cc1cc(OC)ccc1O,1
COc1ccc(NC(=O)N2CC2)cc1,0
CCOC(=O)c1sc2nc(-c3cc4ccccc4o3)cc(-c3ccc(Cl)cc3)c2c1N,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)ccc1OCCN1CCCCC1,1
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC,0
Cl.c1ccc2cc(CNCCOCCOCCNCc3ccc4ccccc4c3)ccc2c1,1
CC(C)CCOC(=O)c1ccccc1,0
Cc1ccccc1N1CCN(C(C)(C)C#N)CC1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)C(N)CS.Cl,1
OC(Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)nc(CC(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,1
Cc1nc(C(=O)Nc2ccccc2)c[nH]1,0
COc1ccc(C2=NNC(=O)c3ccccc3N2c2nc(-c3cccs3)nc3cc(OC)c(OC)cc23)cc1,1
CC(=O)NN1CCN(C)CC1,0
C=C1C(=O)OC2CC1C(OC(=O)C=Cc1ccccc1)CC(C)=CCCC(C)=CCCC2(C)O,1
NC(=O)COc1ccc(Cl)cc1Cl,0
CCCCCCNC(=S)NN=C(C)c1ccccn1,1
CC(=O)O.Cc1cc(C)c(C)cc1C,1
NC(=O)CNCc1ccc([As]=O)cc1,0
COc1ccc(C=C2CN(C)CC(=Cc3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC.Cl,1
Cc1ccc(-c2ccc3c(c2)Sc2ccccc2O3)n1C,1
CCCc1nc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)n1,0
O=c1[nH]c(-c2ccc(Cl)cc2)cc2ccsc12,1
CN1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1,0
O=[N+]([O-])c1ccc2ncccc2c1Cl,1
Cc1cc2nc(CC(C(F)(F)F)C(F)(F)F)oc2cc1C,1
COC(=O)c1ccc(/N=N/N(C)C)cc1,0
COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O,0
Cn1nc(C(=O)O)c(=O)[nH]c1=O,0
COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)CC2CN(C(C)=O)[C@H]1CC2=O,1
CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1,0
CN1C(=O)CC(=N)C1=O,0
C[C@H](O)c1ccc(C(C)(C)C)cc1,0
CCN(CC)CCCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,1
O=C(Nc1ccccc1O)c1ccccc1Nc1ccnc(C(F)(F)F)c1,0
Cn1c(O)c(C(=O)NC2CCCCC2)c(=O)n(C)c1=S,1
CC(=O)[O-].[Hg+]c1ccccc1,1
CCN(CC)c1ccc(/C=C/C=C(/C#N)C(N)=S)cc1,1
NC(=O)c1n[nH]c(=S)[nH]c1=O,0
CCOC(=O)c1c(NC(=O)CSc2n[nH]c3nc4ccccc4n23)sc(CC)c1C,0
CCOC(=O)c1ccc(N(C[C@@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1,0
COc1cc(-c2[nH]nnc2-c2cccnc2)cc(OC)c1OC,0
Cc1cccc([N+](=O)[O-])c1Cl,0
CCCCCCCCCCCCCC[C@H](O)C[N+](C)(CCO)CCO.[Cl-],1
Cc1c(C(C)C)cc(C(C)C)cc1C(C)C,0
Cl.NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nncs1,0
CCCCCCCC[Sn+2]CCCCCCCC.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,1
c1cc(N2CCCCC2)nc(N2CCCCC2)n1,0
COc1ccc(OC)c(/C=C/[N+](=O)[O-])c1,1
COC(=O)c1c[nH]c(=S)n1Cc1ccccc1,0
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)O[C@@H]2CN(C)[C@H]3C1)OCO5.Cl,1
CN(c1ccccn1)c1ncnc2[nH]ncc12,0
CC(c1ccccc1)N1CC(C)(c2ccccc2)N(O)C(c2ccccc2)C1C,1
Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,1
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3cccc(OCCN4CCOCC4)c3)C[C@@H]12,1
C=COC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
O=S(=O)(Cc1ccccc1)C(Cl)(Cl)c1ccccc1,0
Cc1sc2nc(-c3ccccn3)c(/C=N/N=C(N)N)n2c1C.Cl,1
CC12CCC3C4=C(CCC3C1CCC2OC(=O)N(CCCl)N=O)CC(=O)CC4,1
Oc1ccc2ccccc2c1C=Cc1ccc2c(Br)cc(Br)c(O)c2n1,1
CCCCC1CCC(=O)O1,0
O=C(CCSSCCC(=O)On1c(O)ccc1O)On1c(O)ccc1O,0
NC(=O)C=Cc1c[nH]c2nccnc12,1
CCSc1nc(N)c2cnn(CC)c2n1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NCc1ccc(C#N)cc1)CC2,1
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CC1,0
O=C(Nc1ccc(Cl)cc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21,1
COc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(OC)c1OC,0
COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)CCO)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=C1c2ccccc2C(=O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@@H]1O[C@@H]1[C@@H]3O,1
O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)c1ccccc1,0
O=C(O)c1ccccc1Cl,0
Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12,0
Cc1ncc(COCc2ccccc2)c(CO)c1OCc1ccccc1,0
CC(=O)Nc1nc(C)c(C(=O)N/N=C/c2ccco2)s1,0
CC(C)CC(=O)Cc1ccccc1,0
C=C1Sc2ccccc2N1C,0
C=C(COC(C)=O)[C@H]1CC/C(C)=C/CC/C(C)=C/CC[C@@]2(C)O[C@H]2C1,0
CC1(C)C=CC(NNC(=O)c2cccnc2)C(=O)C1,0
CCCCCCCCC[Si](F)(CCCCCCCC)CCCCCCCC,0
Cn1c(=O)c2[nH]c(NN=Cc3ccc(F)cc3)nc2n(C)c1=O,0
O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,0
CN(C)C(=O)SC1=C(c2c(Cl)cccc2Cl)C(=O)c2ccccc21,1
CCOc1cccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1O,1
Cc1ccc(S(=O)(=O)N(CCCc2c(C)[nH]cnc2=O)c2ccccc2)cc1,0
C#CCOC(=O)Nc1ccccc1,0
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2ccccc2s1,1
CCCCCCCCCCCCCCCCc1cc(O)oc1O,0
CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)OC(C(C)(C)C)N2,1
CCN(CC)CCC(=O)c1cccc([N+](=O)[O-])c1,0
CS(=O)(=O)O.Cc1cnc(C=NNC(N)=S)c2cccc(N)c12,1
CC(=O)[C@]1(C)C(=O)N(c2ccc(C)cc2)C(=O)N1c1ccc(C)cc1,0
Cc1ccc(N2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1,0
CC1(C)C=Cc2c(O)c(O)c3ccccc3c2O1,1
CC(CC#N)OC(=O)c1cccc([N+](=O)[O-])c1,0
CCCCCCCC(=O)OC,0
C=C1C(=C)C(=O)C(c2c(-c3cc(O)c(=C)c(=C)c3O)c(O)c3ccccc3c2O)=CC1=O,1
CCOC(=O)CCCCCCCCC(=O)Nc1ccc(-n2[nH]c(=O)cc2C)cc1,0
CC(O)C(=O)N(C)c1ccccc1,0
COc1ccc(-c2[nH]c3ccc(OC)cc3c2C=C(C#N)C#N)cc1,1
CC(C)C1(C)NC(=O)NC1=O,0
Cc1cccc([C@H](O)[C@@H](O)c2cccc(C)n2)n1,0
CC/C(Cl)=N/OC(=O)Nc1ccc(F)cc1F,1
Nc1nc2c(C(=O)N3CCCC3)nnn2c2ccccc12,0
CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,1
CCCc1ccc(OC)cc1,0
O=C(c1ccccc1)c1cc(Cl)ccc1OCCCCN1CCN(CCCCOc2ccc(Cl)cc2C(=O)c2ccccc2)CC1,1
CCn1c2ccccc2c2cc(/C=C(/C#N)C(N)=O)ccc21,1
CN(C)c1ccc(-c2cc(-c3ccc(Nc4nc(Nc5ccc(F)cc5)nc(Nc5ccc(F)cc5)n4)cc3)nc(N)c2C#N)cc1,0
COc1cc2c(cc1C)=NC(=O)C=2Cc1c(Cl)[nH]c2cc(C)c(OC)cc12,1
Oc1ccc(Cc2[nH]c(=S)[nH]c2O)cc1,0
COc1ccc(C(CC(=O)c2ccc3c(c2)OCO3)C(=O)O)cc1OC,0
COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1,1
C[As](=O)(O)c1ccc(C(=O)O)cc1,0
CC(=NNC(=S)N1C[C@H]2CC[C@H](CC2)C1)c1nccs1,1
O[C@@H](c1ccccc1)c1n[nH]c(=S)n1-c1ccc(F)cc1,0
CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
CC/C(=C\c1ccc(OC)c(OC)c1)c1nc(=O)c2ccccc2[nH]1,0
Oc1cccc2c(Cl)ccnc12,1
CCC(=O)[C@](CCN(C)C)(c1ccccc1)c1ccccn1,0
COc1cc2c(C=C3C(=O)Nc4ccccc43)c[nH]c2cc1C,1
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)NCCN4CCOCC4)C(CC(OC4OC(C)C(O)C(N)C4O)/C=C/C=C/C=C/C=C\C=C/C=C/C=C/C2C)O3)cc1,1
COc1ccc2c(CN3CCCC[C@H]3CO)cc3cc(OC)c(OC)cc3c2c1,1
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1,0
CC(=O)CCN(Cc1ccccc1)Cc1ccccc1,0
O=C(O)C=C1c2ccccc2-c2ccccc21,0
COc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1OC,0
CCN(CC)c1ccc(N=O)cc1,1
NCc1c(Cl)c(Cl)c(Cl)c(CN)c1Cl,0
Cc1nc2cc3ccccc3cc2s1,0
O=C1C=CC(=O)N1c1ccc(Nc2ccccc2)cc1,0
Cn1c(=O)c2c(nc(OCc3ccccc3)n2C)n(C)c1=O,0
N#Cc1c(C(C#N)C#N)nc2sc3cc(Cl)c(Cl)cc3n2c1=N,0
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([Se]Cc2ccccc2)CC(=O)O1,1
C=c1nc2sc(C)cn2c1=Cc1c(O)[nH]c2ccc(OC)cc12,1
Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-],0
O=C1CCCCCCCCCCCN1,0
CC(CS[As](C)C)C(=O)N1CCCC1C(=O)O,1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,1
CC1=CC(=O)C[C@@H](C)C1,0
CCCC[Sn+2]CCCC.COc1cccc(C(=O)[O-])c1[O-],1
Cc1ccccc1-n1c(O)c2c(c1O)C1C=CC2O1,0
Cl.O=C(CCN1CCOCC1)/C(=C/c1ccccc1)c1ccccc1,1
C/C=C(\CC)C1(CC)C(=O)NC(=S)NC1=O,0
O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1,0
N#C[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccccc1,1
CC(=O)O.Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc([N+](=O)[O-])c2)n1,1
c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2,1
CC(=O)c1cc2c(cc1C)CCCC2(C)C,0
CCCOCc1c[nH]nn1,0
CN(N=O)C1CCCCC1,0
Nc1ccccc1C#C/C=C\C#Cc1ccccc1C(F)(F)F,1
COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccco1,0
BrCc1ccc2ccc3ccc(CBr)nc3c2n1,1
COc1cc([N+](=O)[O-])c2ncccc2c1O,1
CNc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
Nc1ccc(C(=O)NN2C(=O)C(Cl)[C@H]2c2ccccc2Cl)cc1,1
COc1cc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,1
CCOc1ccc(NC(=O)C(C)O)cc1,0
C[C@@H]1CCC(=O)C12OCC(C)(C)CO2,0
NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(=O)O,1
C=C(CN1CCc2c([nH]c3ccccc23)C1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc([N+](=O)[O-])cc1,0
CC1(C)C(=O)C(=O)C=C2C1CC[C@@H]1[C@]2(C)C(=O)C[C@]2(C)[C@H]([C@@](C)(O)C(=O)C[C@@H](O)C(C)(C)O)[C@H](O)C[C@@]12C,1
Cc1[nH]c(Nc2nc3ccccc3s2)nc(=O)c1CCO,0
O=c1[nH]c(=S)[nH]cc1Oc1ccc(Cl)cc1,0
CCCCC(SC(CC)(C(C)=O)c1ccccc1)C(N)=O,0
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(Br)o1,0
O=C1NC(=O)C(=Cc2ccc(-c3ccccc3)cc2)C(=O)N1,0
O=C(OCCn1c(O)c2c(c1O)[C@H]1C=C[C@@H]2C1)C1C(C(=O)OCCn2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)[C@H]2C=C[C@@H]1C2,0
CC(C)(O)c1ccccc1,0
O=c1[nH]c(-c2ccccc2)nc(CN2CCCCC2)c1O,0
CCOC(=O)N1CC1,0
CN=C(N)NN=C(C)c1ccc2oc3ccc(C(C)=NN=C(N)NC)cc3c2c1,1
COC(=O)C1=C(C(=O)OC)N(c2ccncc2)C(c2ccco2)=C[C@@H]1c1ccccc1[N+](=O)[O-],1
CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
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)O[C@H]2C)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)O[C@H]3C)c3nc(-c4ccccc4)c(=O)oc3c1C)N2,1
COc1ccc(Cl)cc1C=CC=NNC(=O)c1ccncc1,0
Nc1[nH]nc2ncccc12,0
Nc1nc(N)c(C=Nc2ccc(Br)cc2)c(Nc2ccc(Br)cc2)n1,1
O=C(O)c1cccc2c1-c1ccccc1C2=O,0
CN(C)c1ncnc2[nH]ncc12,0
C=c1c(C)ccc2c(O)c(O)c3ccc(C)c(=C)c3c12,1
O=C(CO)NCCO,0
Cc1cccc(C(=O)N(C(=O)c2cccc(C)c2)N(C)C)c1,0
CCN(CC)CC(O)c1ccc(Cl)c(Cl)c1,0
COCC(=O)C1(O)C=C2C(=O)c3c(c(O)c4c(OC)cccc4c3O)C(=O)C2C(OC2CC(N)C(O)C(C)O2)C1,1
CC(=O)O.CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CC)CC)cc1C2=O,1
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)Nc5nccc(C)n5)cc4)cc3)cc2)n1,0
COc1ccc(-n2c3c(c4cc(O)ccc42)C(=O)c2ccccc2C3=O)cc1,1
Cc1cc2n(n1)-c1ccccc1-c1ccccc1C(=O)N2C,0
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[n+]([O-])c(N)c12,1
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)N/N=C/c3ccccc3)[nH]c(=O)c12,0
c1ccc(Cn2cc3c(c2)-c2oncc2CC3)cc1,1
Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)C(C(=O)NCNc3ccc(C(N)=O)cn3)C(=O)C(N(C)C)[C@H]1C2.Cl,1
C[As](C)SCC1OC(O)C(O)C(O)C1O,1
COc1cc(/C=C/C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OCCCOc1cc2c(cc1OC)C(=O)N1CCCC1C=N2,1
O=Cc1ccc([N+](=O)[O-])o1,0
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc([N+](=O)[O-])ccc1Cl,1
CCN(CC)C[C@H](OC(=O)c1ccc(N)cc1)c1ccccc1.Cl,0
COc1ccc2nc3ccccc3c(NCCCCCCN(CCCl)CCCl)c2c1.Cl,1
CN(C)CCNC(=O)c1cccc2c1nc(-c1ccccc1)c1ccccc12.Cl,1
N=C(N)NN=Cc1ccc(C(=O)O)cc1,0
COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1O,1
C=C1C[C@@](COc2ccc3ccc(=O)oc3c2)(c2ccccc2)OC1=O,1
CCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1,0
O=C(NNC(=O)c1cccc2ccccc12)c1cccc(Br)c1,0
Nc1cccc(S(=O)(=O)O)c1,0
N#CC1c2ccccc2C=CN1C(=O)N(c1ccccc1)c1ccccc1,1
CCSC(SCC)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)c1ccccc1,0
CCOc1cccc(OCC)c1,0
Cc1ccc2c(c1)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-],0
CN(C)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23.Cl,1
Cc1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2cccc(C(F)(F)F)c2)cc1,1
Cc1ccc(C(C)C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1,1
c1ccc(C(=NNc2ccc3ccccc3n2)c2ccccn2)cc1,1
Brc1ccc(-c2[nH]c3ccccc3c2C=NNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1,1
N=C(Nc1ccc(N)cc1)C(=N)Nc1ccc(N)cc1,0
CN(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)N[C@@H](Cc5ccccc5)c5nccs5)CC[C@]4(C)[C@H]3CC[C@]12C,1
Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO,1
ClCc1nnc2n1-c1ccc(Cl)cc1SC2,1
O=C1c2ccccc2C(=O)c2c(NCCCNCCO)ccc(NCCCNCCO)c21,1
OCCCN=NNc1ccc(-c2nc3ccccc3[nH]2)cc1,1
CCOC(=O)CCC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC,0
ClC(Cl)=C(c1ccccc1)c1ccccc1,0
CNC(=S)C(=NNc1[nH]cnc1C(N)=O)C(N)=S,1
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,1
CC(=O)OCCN1C(=O)c2ccccc2C1=O,0
O=C(NCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,1
O=C(Oc1ccc(Cl)cc1)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1,1
COC(=O)c1ccc(Cn2cnc3c(N)ncnc32)cc1,0
S=c1[nH]nc(NC2CCCCC2)s1,0
O=C1c2ccccc2-c2c1nc1ccccc1[n+]2[O-],0
N#Cc1ccc(CCl)cc1,0
Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)cc1,0
NC(=S)N1N=C2c3ccccc3CCCC2C1c1ccccc1,1
Oc1cc(Br)cc2cccnc12,1
CCS(=O)(=O)O.Cc1cc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)ccc1S(=O)(=O)F,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)C3CCCCC3)C3CCCCC3)C[C@@](O)([C@@H](OC(=O)C3CCCCC3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
C[C@@](O)(c1ccccc1)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1,0
COc1cc(N=Nc2ccccc2C(=O)O)ccc1O,0
COc1ccc2c(c1)C(=O)C1NC(=O)NC(=O)[C@@]1(Br)N2,0
NC(=O)CCC(C(=O)O)N1C(=O)c2ccc(O)cc2C1=O,0
C[C@@]1(C(OC(=O)c2cccc3ccccc23)C(N)=O)CO1,1
Cc1cccc(C(=O)O)c1O,0
O=C1N(Cl)C2(c3ccccc3)N(Cl)C(=O)N(Cl)C2(c2ccccc2)N1Cl,0
CCCOS(=O)(=O)c1ccccc1,0
CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1,0
COc1ccc(OC)c([C@H]2CCc3c(cnc4nc(N)nc(N)c34)C2)c1,1
Cc1ccc2nc3c(C(=O)NCCN(C)C)cccc3nc2c1.Cl,1
C[C@@H]1CCCC[C@@H]1CO,0
CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl,1
CCOC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1,0
CC(=Cc1ccc2c(c1)OCO2)[N+](=O)[O-],1
O=c1[nH]n(-c2ccccc2)c2ccccc12,0
O=C(c1ccccc1)C(Br)C(Br)c1cccc([N+](=O)[O-])c1,1
Cc1ccc(S(=O)(=O)N/N=C2/CCc3ccccc32)cc1,0
Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,0
CC1(C)[C@H]2CC[C@@]13CC(=O)O[C@H]3C2,0
S=C(NC1CCCCC1)NC1CCCCC1,0
Cc1cccc(N=NC(C#N)C#N)c1,0
CCOc1ccccc1/C=N/N1CCCCCC1,0
CC1=CC(C)(C)NC(=S)N1c1cccc(C)c1,0
CC(=O)O.Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1,1
Cl.O=C1C(=Cc2ccc(Cl)cc2Cl)SC2SC=C(c3cccc([N+](=O)[O-])c3)N12,1
COc1ccc(NC/C=C/C(=C/COC(C)=O)OC(C)=O)cc1,1
CC(=O)N[C@H]1CCC(=O)C=C1c1ccccc1,0
O=C(Nc1ccccc1)Nc1ccccn1,0
COC(=O)c1cc(C)nc2c(C)cc3[nH]c4ccccc4c3c12,1
N#CCCC(=O)c1ccccc1,0
O=c1c2c3c(sc2nc(N/N=C/c2cn(-c4ccccc4)nc2-c2ccc(Cl)cc2)n1Cc1ccccc1)CCCC3,0
CCOC(=O)c1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C#N)cc1,1
Nc1c(S(=O)(=O)O)[nH]c(=O)[nH]c1=O,0
CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](OC(C)=O)C[C@@H]3C[C@]4(CC[C@@]32C)OOC2(CC[C@H](C)CC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@@]12C,1
CCCCC(=O)c1ccc(F)cc1,0
Nc1nc(N)c(CCCCc2ccccc2)c(/C=C/c2ccc([N+](=O)[O-])cc2)n1,1
CC(=Nc1ccccc1Cl)c1c(O)cc(C)oc1=O,0
COc1cc(OC)cc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c1.Cl,1
COc1ccc(/C=C2/CCC(CN3CCOCC3)C2=O)cc1.Cl,1
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)oc(=O)c1ccccc12,0
CC[C@@]1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0
N#CC1C(=N)O[C@H](c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N,0
Oc1cccc(-c2ccccc2)c1,0
O=[N+]([O-])C(F)(CN(COCN(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
CCCCNCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)[C@H](O)[C@H](C)NC(=O)C(NC(=O)c3nc([C@H](CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](OC(N)=O)[C@@H]3O)c3c[nH]cn3)[C@H](C)O)n2)n1.O=S(=O)(O)O,1
CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+],0
C=CCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC=C,0
C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)C(OC)=CC(C)=CC(C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@H](O[C@H]2C[C@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C,1
CC(C)(C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1,0
CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-],0
COc1ccc(C2(C)C(C#N)C(=O)NC(=O)C2C#N)cc1,0
COc1cc2c(cc1OC)C(=O)C(Br)CC2,1
CCS(=O)(=O)O.O[C@H]1C[C@H]2CC[C@@H](C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21,1
CCNC(=O)c1ccc(Cl)cc1,0
COc1ccc(-c2nc3ccccc3c(=S)n2OC(C)=O)cc1,1
CCOC(=O)c1sc(NC(=O)Nc2ccccc2)nc1C,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1)C3=O,1
O=C1c2ccccc2C(=O)c2c(C=CN3CCCCC3)ccnc21,1
COC(=O)C1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O)[C@@H](O[C@@H]8OC[C@@H](O)[C@@H](O)[C@@H]8O)[C@@H]7O)[C@@H](O[C@@H]7OC[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O,1
O=C1/C(=C(/Br)I)c2ccccc2-c2ccccc21,1
CN1CCN(CC/C=C2\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,1
CN(C)C=Nc1c2ccccc2nc2ccccc12,1
COc1cc(-c2ccc(N)c(OC)c2)ccc1N,0
COc1ccccc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,0
CCc1ccccc1NCCO,0
COc1cccc(N[C@@H]2c3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)C3C(=O)OC[C@@H]32)OCO4)c1,1
CCN1C[C@H]2[C@@H](C1)[C@]1(C)CC[C@H]2O1,0
Oc1ccc(O)c2c1[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl,1
OC1C(O)C(O)C(O)C(O)C1O,0
c1ccc(CN=C(NCc2ccccc2)NCc2ccccc2)cc1,1
CC1=CC2OC34COC3CC(OC(=O)C(F)(F)F)C4(C)C2(C)CC1,0
CCCN1C(=O)/C(=C/c2ccc(SC(F)(F)F)cc2)S/C1=N\c1ccc(OC)cc1,1
O=C1N=c2ccc(Br)cc2=C1c1[nH]c2ccccc2c1O,1
O=[N+]([O-])c1cccc2[nH]ncc12,0
COc1cc(NC(=O)OCc2ccccc2)c2ncccc2c1,0
O=C1CCCCN1c1ccccc1C#C/C=C/C#Cc1ccccc1C(F)(F)F,1
CC1(O)c2ccccc2-c2ccccc21,0
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1[C@H]2O,0
CCCC(=O)Oc1ccc(C(C)(C)C)cc1Br,0
O=C1C(Cl)=C(N2CCSCC2)C(=O)c2c(O)ccc(O)c21,1
CC(=NNC(=S)Nc1ccccc1C)c1ccccn1,1
CCN(CC)c1cccc(S(=O)(=O)O)c1,0
CC(CN(C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
CNC(=O)Sc1ccc(C)c(N(C)C)c1,0
O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,0
Cc1ccc(N=Nc2c(N)nn(-c3ccccc3)c2N)cc1,1
CC12CCCCC1C(C(N)=O)C(=O)O2,0
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
C=CCC1(CCC)C(=O)NC(=S)NC1=O,0
CCN(CC)CCOC(COc1cc(C)cc(C)c1)COc1cc(C)cc(C)c1,1
O=C(COc1ccc(/C=C2\COc3ccccc3C2=O)cc1)Nc1nccs1,1
CS(=O)(=O)O.Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3cc(O)ccc3c12,1
CN(C)CCC(=O)C1CC1,0
Cc1ccccc1NCS(=O)(=O)O,0
CCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCC,0
C=COCCCOc1ccccc1,0
COC(=O)c1c2c(cc3c1C[C@]1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2,1
Cc1cc(C)c(O)c(C(C)(C)C)c1,0
O=C(NC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1,0
O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1,0
CC1S[C@@H](c2ccc(OCc3ccccc3)cc2)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)C1=O,1
CCNC(=S)Nc1c(O)n(C)c(=O)n(C)c1=O,0
COc1ccc2nccc(C=O)c2c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,1
Brc1ccc(-c2ccccc2)cc1,0
COc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cncnc2-3)cc1,1
CC(=O)Oc1cccc(C)c1[N+](=O)[O-],0
CCCCCOc1ccc(N=C2C(=O)c3c(O)ccc(O)c3C(=O)C2Cl)cc1,1
N#CCCN1CCN(c2ccccc2)CC1,0
C=O.CN(P(F)F)P(F)F.CN(P(F)F)P(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe],1
NC(=O)CC(NC(=O)C(F)(F)F)C(=O)O,0
Nc1cccc(C(O)=NO)c1,0
Br.CC(=O)/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)C(C)CN(C)C,1
O=C1NC(=O)C(CCOc2ccccc2)(CCc2ccccc2)C(=O)N1,0
COCCN1CC[C@H](CO)C1,0
O=C(/C=C/c1ccccc1)Cc1ccccc1,0
N#Cc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1C#N,0
CCCCNC(=O)c1ccccc1C(=O)NC1(C(=O)NCCCC)CCCC1,0
COc1cc(C2c3cc4c(cc3C(NS(C)(=O)=O)C3COC(=O)C23)OCO4)cc(OC)c1OC,1
COc1ccccc1C=NN=C(NN=Cc1ccccc1OC)NN=Cc1ccccc1OC,1
COC(=O)c1ccccc1N=NNc1ccccc1[N+](=O)[O-],0
NS(=O)(=O)c1ccc(NC(=S)N=Cc2c(O)[nH]c3ccccc3c2=O)cc1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccccc2)c(Cl)c1.CCS(=O)(=O)O,1
Oc1cc(O)c(CN2CCOCC2)cc1CN1CCOCC1,0
O=C1Nc2c(ccc(Cl)c2Cl)C1=Cc1cc(Br)c(O)c(Br)c1,1
CCOC(C)C=O,0
CN(C)NC(=O)Nc1ccccc1,0
CC1CC(=O)C(=O)[C@]2(C)C1C[C@@H](O)[C@]13CO[C@]4(C)C1C(=O)O[C@@H]4[C@H](O)[C@@H]32,1
Cc1cccc(NC(=O)NNC(=O)c2ccncc2)c1NC(=O)NNC(=O)c1ccncc1,0
CN(C)c1ccc(-c2cc(-c3ccc(Nc4nc(Nc5ccccc5)nc(Nc5ccc(Cl)cc5)n4)cc3)nc(N)n2)cc1,1
Cc1cc(I)cc(I)c1O,0
COc1cc2c(cc1N)-c1ccc(N)cc1C2=O,0
CCN(CC)CCCOC(=O)c1cc2ccccc2s1,0
Oc1c2c(c(O)n1SC(Cl)(Cl)C(Cl)Cl)C[C@@H](SS[C@H]1Cc3c(c(O)n(SC(Cl)(Cl)C(Cl)Cl)c3O)C[C@@H]1Cl)[C@H](Cl)C2,1
N#CC(=Cc1cccc(Br)c1)C(=O)c1ccccc1,0
C=C(C=O)CCC[C@H](C)[C@@H]1CC[C@@]23C[C@@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]2O)[C@]13C,1
O=C(O)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1,1
CN(CCCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2)CCCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2,1
CC(=O)Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,1
CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1C[C@H](C)O,1
CNCC/C=C1\c2cc3c(cc2-c2c1c1cc(OC)c(OC)cc1c(=O)n2C)OCO3,1
Nc1nc(=S)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1,1
O=C(COc1cccc(/C=C2\Cc3ccc(Cl)cc3C2=O)c1)Nc1nc2ccccc2s1,0
Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1/C=N/c1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1,1
CN(C)c1cccc(-c2cc(=S)c3cc4c(cc3[nH]2)OCO4)c1,1
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](O)[C@@H]1CCCN1C3,1
CCCCCCCCCCCCCCCCCC[SH](C)CC,1
CC(C)(C)CC(C)(C)c1ccc(O)c(Cl)c1,0
CN(C)CC1CCCC1=O.Cl,1
CCCCCCCCCCCCCCCCC(Oc1ccc(Cl)cc1Cl)C(=O)O,0
CC(C)(O)C(=O)O,0
O=S(=O)(O)c1cc(I)c(O)c(I)c1.[Na+],0
NC(=S)c1c(N)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12,1
CC(C)(c1ccc(O)cc1)c1ccc(O)c(C(=O)O)c1,0
COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1,1
Cc1cc2nc(C=C(C(F)(F)F)C(F)(F)F)sc2cc1C,1
CCCC[Pb](Cl)(CCCC)CCCC,1
Cc1nc2c(N)nn(C)c2nc1C,0
CCOC(=O)C1=NOC2(C=C(Br)C(=O)C(Br)=C2)C1,1
O[C@@H](c1ccccc1)c1nc2ccccc2[nH]1,0
Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O.[Na+],0
COc1ncnc2c(N[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)ncnc12,1
N#CC1=C(C#N)C(=O)c2c(c(O)c3ccccc3c2O)C1=O,1
ON=Cc1cc2c(cc1Br)OCO2,0
COc1ccccc1/C=N/N=C(N/N=C/c1ccccc1OC)N/N=C/c1ccccc1OC,1
CC(=O)OC[C@]12CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C)[C@@H]1C[C@@H](C1=CC(=O)O[C@H]1O)O2,1
COc1cc([C@H]2NCC(=O)N2O)cc(OC)c1OC,0
CC(C)(C)c1ccc(OCCCl)c(Cl)c1,0
COc1ccc(-c2cc(-c3cccs3)n(Cc3ccccc3)c(=O)c2C#N)cc1,0
C[C@@H](O)C(NC(=O)OC(C)(C)C)C(=O)O,0
O=[N+]([O-])c1cccc([As](Cl)Cl)c1,1
O=[N+]([O-])c1cccc(C=NNc2ccc3ccccc3n2)c1O,1
Nc1c(Cl)ncnc1Nc1ccc(C(=O)O)cc1,0
Clc1cc(Cl)c(OCC#CI)cc1Cl,1
OCCSc1ncnc2[nH]cnc12,0
CCOP(=O)(Nc1ccc2c(c1)/C(=N/NC(N)=S)c1ccccc1-2)OCC,0
O=C1C(=O)c2cccnc2-c2ncccc21,1
c1ccc(Oc2ccccn2)cc1,0
CC(C)CC(C)NCCOC(=O)c1ccccc1,0
Cc1cc2nc(Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C.Cl,0
CCC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,0
COc1cccc(CC(=NO)c2cccc(OC)c2)c1,0
N=S(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-],1
NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CCC2=O)cc1,0
NC(=NO)c1ccc(Cl)cc1,0
CN(C)CCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21,1
O=[N+]([O-])c1cc(S(=O)(=O)F)ccc1Cl,0
Oc1c(Cl)cc2cc1-c1cc(cc(Cl)c1O)CCc1c(Cl)cc(c(O)c1Cl)-c1cc(Cl)c(O)c(Cl)c1C=C2,1
O=C(COc1cccc(/C=C2\COc3ccccc3C2=O)c1)Nc1nccs1,1
CO[C@@H]([C@H](C)[C@@H]1OC(=O)C=CC=C(C)C[C@@H](OC)[C@H](OC)C2=CC(=O)O[C@@H]([C@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H]1C)[C@H]2O)[C@@H](C)CCC(=O)C(C)[C@@H](C/C=C/N(C)C=O)OC,1
Cl.c1ccc([C@@H]2CN3CCSC3=N2)cc1,0
CC(C)CC[C@@]1(CCO)C(=O)N=C(N)NC1=O,0
Cn1cnc(N)c1C(N)=[SeH],1
O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1ccc(Cl)cc1.[I-],0
CCCC[Sn+](CCCC)SCC(=O)[O-],1
Oc1cc(CNC2CCCCC2)c(O)cc1CNC1CCCCC1,0
Oc1ccc(OCCOc2ccc(O)cc2)cc1,1
COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCO)CCN=1,1
CN(C)c1ccc(C(=S)c2ccc(N(C)C)cc2)cc1,1
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1.Cl,1
O=C(Cn1c(CO)nc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1,0
CCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.Cl,1
NC(=O)NC(=O)c1cccc(NC(=O)CBr)c1,1
Cc1ccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Cl)cc1Cl,1
COc1cc(C=NNC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)ccc1O,0
O=C1c2cc(Br)ccc2-c2ccc(Br)c3cccc1c23,0
CCO[C@@H]1Oc2ccc(F)cc2-c2oc(=O)ccc21,0
COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2cccc(C(=O)O)c2OC)cc1,1
CC(=O)C1(O)C(C)CC2C3CC(F)C4(O)CC(O)CCC4(C)C3CCC21C,0
CCCC(C)(COC(N)=O)COC(=O)NC(C)C,0
COc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)oc(=O)c2)ccc1O,1
CCCCC(=O)NN=Cc1c(O)ccc2ccccc12,1
CCCCCCCCCCCC1=NC(C)(C)CO1,0
C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)C(=CC)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(C)=NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O,1
CC(=O)Nc1ccc(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1,0
Cc1ccc(NC(=O)c2ccccc2C)cc1,0
ON=C(O)c1cccc(OCc2ccc(Br)cc2)c1,1
[I-][Sb+3]12([S]=C(N3CCSCC3)[S-]1)[S]=C(N1CCSCC1)[S-][Sb+3]1([I-])([S]=C(N3CCSCC3)[S-]1)[I-]2,1
C[C@@H](c1ccccc1C(=O)O)c1cc(F)cc2ccccc12,0
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1,0
COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O.CS(=O)(=O)O,1
N#CC(C#N)C=NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0
CCCCCC(CC)(C(=O)OCC)C(=O)OCC,0
Cl.O=C1c2[nH]cc(CN3CCN(CCO)CC3)c2C(=O)c2c1c(O)c1ccccc1c2O,1
COC(=O)c1cc2oc(/C=C3/SC(=S)N(N)C3=O)cc2n1Cc1ccccc1,1
O=C(O)CNC(=O)Nc1ccccc1,0
COc1cc2c(cc1O)[C@@H]1[C@@H](O)[C@@H](O)C=C3CCN(C2)[C@@H]31.Cl,1
Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1,0
CCCCN(CCCC)CNC(=O)c1ccccc1,0
CCOc1ccc(N2C(=O)C(C)CNC2=S)cc1,0
NC(=S)NN=Cc1ncccc1O,1
O=C(NC1CCCCC1c1ccccc1)c1ccccc1,0
CCCCOCCOC(=O)CCCCCC1CCCCC1,0
CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)c(N)c1,0
CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O,1
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Oc2ccccc2)cc1,0
C[C@]12CC(=O)C3[C@@H](CC[C@H]4CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,0
CCOC(=O)c1c[nH]n2c(=S)ncnc12,0
COc1cc(/C=C\c2ccc(SC)cc2)cc(OC)c1OC,1
CC(=O)[O-].CC(=O)[O-].COc1cc([Hg+])c(OC)c(NC(=O)CC(C)=O)c1[Hg+],1
CCCCC(CC)CN(CC(CC)CCCC)N=O,0
COc1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1,0
O=S(=O)(c1ccc(/N=C/c2cccs2)cc1)c1ccc(/N=C/c2cccs2)cc1,0
CC1CCCC(C)(C)C1NCCOC(=O)c1ccc([N+](=O)[O-])cc1,0
O=C(O)C=CC(=O)Nc1cccc2c1-c1ccccc1C2=O,1
CCN1Cc2c(/C=C/c3ccccc3)nc3ccc(OC)cc3c2N(c2cccc(Cl)c2)C1,1
Oc1ccc(-c2ccccc2)cc1,0
O=C1CCN(Cc2ccc(Cl)cc2Cl)C(=O)N1,0
CC(C)[C@@]1(C2CCCC2)NC(=O)NC1=O,0
CC(=O)Nc1nc(C)c(C(=O)NNC(=S)Nc2ccc(F)cc2)s1,0
C=c1ccc2c(O)/c(=C/c3cccc(OCC(=O)c4ccccc4)c3)oc2c1,0
CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],1
Cc1ccc(OCC2=NN3C(=O)/C(=C\c4ccc([N+](=O)[O-])o4)S[C@@H]3N2)cc1,1
CCS(=O)(=O)O.Cc1cccc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)c1,1
CC(O)CC(C)(C)O,0
CSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2.O=C(O)/C=C\C(=O)O,1
O=[N+]([O-])c1ccc(N=Nc2c(O)[nH]c3ccc(Br)cc23)c([N+](=O)[O-])c1,1
O=C(Nc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O)c1ccccc1,0
CCCCCCC(C)=O,0
Cc1cccc(NC(=S)NCCc2ccccn2)c1,0
O=C(NP(=O)(N1CC1)N1CC1)OCc1ccccc1,0
COc1cc([C@@H]2CC(c3c(C)[n+]([O-])c4ccccc4[n+]3[O-])=NN2)cc(OC)c1OC,0
C/C=C/C(=O)OCCc1ccccc1,0
CC(=NNC(=S)N1CCCCCC1)c1ccccc1O,1
O=C1OCC(C#Cc2ccccc2)=C1Br,1
CNC1(C(N)=O)CCN(Cc2ccccc2)CC1,0
COc1ccccc1[C@H]1C2=C(COC2=O)OC(C)(C)Oc2cc3c(cc21)OCO3,1
Cl.O=c1cccc(O)[nH]1,0
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NC3CCCC3)n2)cc1,1
Cc1cc(C)n2ncnc2n1,0
Br.O=S(=O)(c1ccccc1)n1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21,1
CO[C@@H]([C@H](C)[C@@H]1OC(=O)CC=CC(C)=C[C@@H](OC)CC2=CC(=O)O[C@@H]([C@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H]1C)[C@H]2O)[C@@H](C)CCC(=O)C(C)[C@@H](C/C=C/N(C)C=O)OC,1
CSc1nc2c(c(C)c(C)n2CCCC(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)c2nc(O)cn12,0
CCOC(=O)C1C(CC)=NC(=O)N(C)[C@@H]1c1ccccc1,0
[Cl-].c1cc2c3c(c1)c1cc4c(cc1c[n+]3CC2)OCO4,1
CC(C)CCON=Cc1ccccn1,0
Nc1ccc2c(c1)C(=O)c1ccc(Br)cc1-2,0
Nc1ccc(CC(=O)O)cc1S(=O)(=O)O,0
CC(O)c1ccc(C(C)(C)C)cc1,0
CC(=NNC(=S)Nc1ccccc1Cl)c1ccccn1,1
O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccccc1,1
CC1CCC(=O)N1c1ccc(N)cc1,0
COc1ccc(-c2cc(-c3ccc(Nc4nc(Nc5ccccc5)nc(Nc5ccc(Cl)cc5)n4)cc3)nc(N)c2C#N)cc1,1
COc1cc(C2c3cc4c(cc3C(NC(=O)c3ccc([N+](=O)[O-])cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CC1OC(OC2C(COc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OOC(CO)C2O)C(O)C(O)C1O,0
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4cc(C(F)(F)F)n(C(C)=O)n4)CCC32)C1,1
Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(Cc2cc(C)cc(C(C)(C)C)c2O)c1,1
O=c1[nH]c(O)c2n1CCC2,0
Cc1cn2c(/C=N/N=C(N)N)c(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)nc2s1.Cl,1
CC(=NO)c1cccc(Nc2c3ccccc3nc3occc23)c1,1
COc1ccc(-c2cc(-c3cccs3)n(S(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,0
N#CC1=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@@H]2S/C(=C\c3ccccc3)C(=O)N2C1=N,1
Cc1c(C)[n+]([O-])c2ccccc2[n+]1[O-],0
CCOC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1,0
Fc1ccccc1-c1ccccc1,0
CC(C)(CCO[N+](=O)[O-])C(=O)O,0
O=[N+]([O-])c1ccccc1-c1ccccc1[N+](=O)[O-],0
C[C@]12CC[C@](C)(O1)c1c2c(O)n(-c2nccs2)c1O,0
O=C(O)CC(=O)O,0
COC(=O)c1ccc2c[nH]nc2c1,0
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)NN=Cc3ccc(O)cc3)[nH]c(=O)c12,0
COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.O=C(O)C=CC(=O)O,0
CCOC(=O)C1=C(C(=O)OCC)SC2(S1)C(C(=O)OCC)=C(C(=O)OCC)Sc1c2ssc1=O,1
CCOC(=O)CCc1ccco1,0
CCOC(=O)c1ccccc1C(=O)c1ccccc1,0
CCOC(=O)c1c2c(n(Cc3ccccc3)c1C)C(=O)C(=O)c1ccccc1-2,1
Cc1ccc(S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,0
Cn1ccc(=O)c(S(N)(=O)=O)c1,0
NC(=O)OC1CCCCC1,0
CCc1ccccc1O,0
CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1,0
O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,0
CC(=O)C1=NNC[C@@H]1c1ccccc1,0
O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2)c2ccccc21,0
CC(C)(Br)C(=O)C(C)(C)Br,0
O=C1C(=O)C(c2ccccc2)C(=O)C1c1ccccc1,0
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,1
COc1cc2c(cc1OCCCCC(=O)Nc1ccc(-c3nc4ccccc4s3)cc1)N=CC1CCCN1C2=O,1
O=C(CCSCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1,0
CN1CCCC(NC(c2ccccc2)c2ccccc2)C1,0
O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc([N+](=O)[O-])c21,0
CCOC(=O)C1OC1(C)c1ccccc1,0
CN(C)c1ccc(C=Cc2ccnc3ccccc23)cc1N,1
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(C)C)c2c1,1
CC(=O)C1=CC=CC1=NNc1ccccc1,1
CCCCCCCCCCCCCCCCCCOC[C@H](C[N@+]1(C)CC[C@@H](O)CC1)OCC.[Br-],1
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1.CCS(=O)(=O)O,1
O=C1c2scc(-c3ccc(Cl)cc3)c2-n2cccc21,1
CCN(CC)CC(O)c1c(OC)ccc2ccccc12,0
O=[N+]([O-])c1ccccc1[C@H]1C=C(c2ccco2)N(c2ccncc2)c2c(O)oc(O)c21,1
Cc1cccc(C(=O)c2ccccc2Cl)c1O,0
NC(=O)c1ccc(N=Nc2c(O)[nH]c3ccccc3c2=O)cc1,0
Nc1c(Cl)cc(S(N)(=O)=O)cc1S(N)(=O)=O,0
N#Cc1cnn2ccn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c12,0
CC(C)Cc1ccc(CC(C)C)c(O)c1,0
CCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1,1
CCN(CC)CCNC(=O)C(Cl)=C1C(Cl)=C(Cl)C(Cl)=C1Cl,1
COc1cc(C(=O)Cl)cc(OC)c1OC,0
CC/C(Cl)=N/OC(=O)Nc1ccccc1OC(F)(F)F,1
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,1
COC(=O)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1,0
O=c1cc(-c2cccc3ccccc23)[nH]c2ncccc12,1
N#Cc1ccc(S(=O)(=O)O)c2ccccc12,0
O=c1c2ccccc2n(-c2ccccc2)c2ccccc12,0
CC1=NC=NC2C(=O)NN=C(C)[C@H]12,0
O[C@@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2C1,0
C[C@]12C[C@@H]3C[C@H]1C(C(=O)O2)C3C(=O)O,0
CCOc1ccc(NC(=S)NC(=O)c2ccco2)cc1,0
O=C(c1ccccc1)c1ccc[nH]1,0
O=C(NNc1c(O)[nH]c2ccccc12)C(Cc1ccc(O)cc1)=NC(=O)c1ccccc1,0
O=C1C(=O)C(c2ccccc2)C(=O)C1c1ccccc1,0
CCCCOc1ccc(OCCCCCCCCCC[N+](C)(C)C)cc1.[Br-],1
CC(C)C1CCC(C(C)(C)O)CC1,0
Nc1cnc(Nc2ccc(Br)cc2)nc1N.O=S(=O)(O)O,0
COC(=O)C1=C(OC)C(=O)O[C@]12C(=O)N(C)c1ccc(Cl)cc12,0
S=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1,1
CN(C)c1nc(N)nc(Nc2ccc(Br)cc2)c1N=O,0
CN(CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1,0
N.O=S(=O)(O)c1ccc(O)c(O)c1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(C)=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1OC1CC(N)C(O)C(C)O1)C3=O,1
CCOC(=O)CCc1nc2ccccc2[nH]1,0
O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccc(Cl)cc1,0
CCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1.[I-],1
COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@@H]3Cc4c(OC(=O)CO)c(C)c(OC)c(O)c4[C@H](CNC(=O)C(C)=O)N3[C@@H](C#N)[C@H](C2)N1C,1
S=C(Nc1ccccc1)Nc1nccs1,0
O=C(c1ccc(N2CCOCC2)cc1[N+](=O)[O-])N1CCOCC1,0
CCCCC(S(C)(=O)=O)S(C)(=O)=O,0
Cc1ccc(SSC[C@@H](O)[C@@H](O)CSSc2ccc(C)cc2)cc1,1
COC(=O)C1=CS[C@]2(S1)C(C(=O)OC)=CSc1c2ss/c1=N\c1ccccc1,1
O=C(O)C(c1ccccc1)[C@H]1CCCC[C@H]1O,0
Cc1ccc(C[As](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
CCOC(=O)c1cccc(NC(=O)CI)c1,1
NC(=S)NN=Cc1ccc(OC(=O)COc2ccc(Cl)cc2)cn1,1
CC1(C)O[C@@H]2[C@H](O1)[C@@H](n1cnc3c(=S)[nH]c(N)nc31)O[C@@H]2CO,0
COc1cc(OC)cc(C2(C#N)CCN(C)CC2)c1,0
COC(C(=O)C(O)C(C)O)[C@@H]1Cc2cc3cc(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)C1O[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)O1,1
CCCn1c(N)c(N(CCOC)C(=O)COc2ccc3ccccc3c2)c(=O)[nH]c1=O,0
Cc1ccc(C(C)(C)C)c(O)c1,0
COc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC(=O)N1CCOCC1,1
COC(=O)/C=C\C(C#N)(C#N)/N=C/c1cc(Br)cs1,1
Cc1ccc2c(C)c(C)c(=O)n(C)c2c1,0
O=C(Nc1cc(Cl)ccc1C(=O)O)c1cccc(C[n+]2ccccc2)c1.[Cl-],0
O=C1CC(=O)c2c(c(O)c3ccccc3c2O)C1=O.O=S(O)O,0
CN(C)c1ccc(/C=C/c2cccc[n+]2C)cc1.[I-],1
COC(=O)C1=NN(c2ccccc2)[C@@H]2N1c1ccccc1N1C(C(=O)OC)=NN(c3ccccc3)[C@@]21C,0
CC(Cc1ccco1)C(=O)NC(N)=O,0
Oc1ccc(Cl)cc1C=NN1CCCCCC1,0
CCC1([N+](=O)[O-])COC(c2ccc(OC)cc2)OC1,0
O=C(Nc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1,0
ON(/N=N/c1ccc(Cl)cc1)c1ccccc1,0
CC1CC(=O)N(CCc2ccccc2)C(=O)C1,0
COc1cc(C2C3=C(O)OCC3C(OCCN(C)C)c3cc4c(cc32)OCO4)cc(OC)c1O.Cl,1
CC(=O)OC[C@@H](CS[As](C)C)OC(C)=O,1
CC(NNC(C)c1ccccc1)c1ccccc1,0
CCN(CC)CC(=O)c1ccc(Br)cc1,0
Nc1nc(=O)c2nc(CCNc3ccc(C(=O)O)cc3)cnc2[nH]1,0
C[C@@]12OO[C@@H](c3ccccc31)c1c2ccc2ccccc12,1
N#Cc1c(Nc2ccccc2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],1
Cc1nnnn1-c1ccccc1,0
ClCc1ccc(Cn2cnc3ncnc(Cl)c32)cc1,1
C[C@@H](CN(C)C)CN1c2ccncc2Sc2ccncc21,0
O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3CCCCC3)cc2)cc1,0
COc1cccc2c1C(=O)C(=O)c1c-2oc(=O)c2cc(C)cc(OC)c12,1
O=NN(CCCl)C(=O)NC1CCCCC1,0
CCCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1N(CC)CC,0
Cc1c2cc[nH]cc2c(C)c2c1nc1ccc(O)c(OCC(F)(F)F)c12,1
CCSc1nc(=S)cc(C)[nH]1,0
CC1([N+](=O)[O-])COP(=O)(NCc2cccnc2)OC1,0
CCOC(=O)C1(C(=O)OCC)[C@@H]2C=C[C@@H](C2)[C@H]1C,0
CC1CN1P(=S)(c1ccccc1)N1CC1C,0
CC(=O)c1ccc(Cc2ccc(C(C)=O)cc2)cc1,0
CCCCN(CCCC)c1nn[nH]n1,0
Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)OC2=O,0
CC[C@H](C)C(NC(=O)c1ccccc1)C(=O)O,0
COc1ccc2cc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2c1,1
Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(N(C)C)cc1,1
NC1(C(=O)O)CSSC1,1
CC[C@]1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)NC(=O)N(c2ccccc2)C1=O,1
O=C(Oc1ccc(Cl)cc1Cl)Sc1nc(O)cs1,0
O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1Cl,0
CCOC(=O)N(C(C)C)[N+](=O)[O-],0
C=C(c1ccc(F)cc1)C1CC1,0
CC[Sn](Cl)(CC)CC,1
COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)=NC(=O)c1ccccc1,0
COc1ncnc2c(NC3OC(CO)C(O)C3O)ncnc12,1
COc1cccc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1,1
Oc1ccc(N=Nc2nccs2)c(O)c1,1
COc1ccc(CNc2nc(NC3CCCCC3)nc(NC3CCCCC3)n2)cc1,1
CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)/C=C\C(=O)O,0
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)C(F)CC4[C@H]3CC[C@]12C,0
C=C(Cl)[C@](Cl)(CBr)CC[C@H](Cl)C(C)(C)Cl,1
COc1ccc(-c2nc3sccn3c2-c2cc(-c3ccc4cc(OC)ccc4c3)on2)cc1,0
CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1,1
C=CCC1C(=O)CCC[C@@H]1CC=C,0
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCC(=O)Nc3nccs3)cc1)O2,1
C=CCOc1c(Cl)cc(Cl)cc1Cl,0
CCc1c(C)[nH]c2nncn2c1=O,0
CCOC(=O)c1sc2[nH]c(/C=C/c3cccc(OC)c3OC)nc(=O)c2c1C,0
CC(C)C(=O)CO,0
c1ccc2c(NCCCCCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1,1
C[C@@]12OC(C(=O)C13CCC3)c1c2c(O)c2c(O)ccc(O)c2c1O,1
COC(=O)c1csc(C2OC(CO)C(O)C2O)n1,0
NC(=O)c1c(NC(=O)COC(=O)Cc2ccccc2F)sc2c1CCC2,0
Cc1ccc2sc(C)cc(=O)c2c1,0
CCCCCCCCCCCCCCCCCCO[P@](=O)([O-])OC1CC[N+](C)(C)CC1,1
CNc1c(NC)n(C)c(=O)n(C)c1=O,0
C=CCSc1ncnc2[nH]cnc12,0
Cc1cc(=O)c2c(o1)C(=O)c1occc1C2=O,0
Oc1ccc2ccccc2c1CN1C[C@H]2CC[C@H](CC2)C1,0
CC1=C(Cl)[C@@H](P(=O)(c2ccccc2)c2ccccc2)C[P@@](=O)(c2ccccc2)C1,0
CSC1=NCCCC1,0
CCn1cnc2c(=S)[nH]cnc21,0
CCOC(=O)CNC(=O)CCCCSc1ncnc2[nH]cnc12,0
O=C(c1cc2c(C(F)(F)F)onc2c2ccccc12)C(F)(F)F,1
O=C1NC(=S)NC(=O)C1=Cc1cccc([N+](=O)[O-])c1,0
COc1cc([C@@H]2c3cc(OC(C)=O)c(OC)cc3CC3C(=O)OC[C@@H]32)ccc1OC(C)=O,0
CO[C@@H]1C[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@H](C)[C@@H]1O,1
COc1ccccc1CC(=O)c1ccccc1OC,0
O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,1
COc1cc(/C=C/C(=O)OC/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC,0
Cc1n[nH]c(SCC(=O)O)n1,0
O=c1cc(CSc2cccnc2)occ1O,0
O=[N+]([O-])c1ccc(NN=C2c3ccccc3Cc3ccccc32)c([N+](=O)[O-])c1,1
CC(C)(C)c1ccc(S(=O)(=O)OCC(=O)Nc2cccc(C(=O)O)c2O)cc1,0
Oc1ccc2ccc(Cl)cc2c1,0
O=C1C=CC(c2ccccc2)(c2ccccc2)CC1,0
CC(C)OC(=O)c1cccc([N+](=O)[O-])c1,0
Cn1c2c(c3cccc(Cl)c31)[C@@H](C#N)C1(CCOCC1)NC2=O,0
CCc1c(C)cc(C#N)c(=N)n1C(C)(C)C,0
CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0
CCOC(=O)C(=Cc1ccc(C(=O)OC)cc1)C(=O)OCC,1
CCSC(=O)N1c2ccc(OC)cc2C=CC1C#N,1
CCN(CC)c1ccc(/N=N/c2ccc(-c3nc4ccc[n+](C)c4s3)cc2)cc1.[I-],1
Cc1ccc(Br)cc1C(=O)O,0
Cc1cccc(NC(=O)C(C)C)c1,0
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCCCC1,0
CCCC[Sn+2]CCCC.O=C([O-])Cc1ccc(F)cc1.O=C([O-])Cc1ccc(F)cc1,1
COc1ccc(C(=O)CC=Nc2ccc([N+](=O)[O-])cc2Br)cc1OC,0
N#CCCN(CCC#N)c1ccc(C(Sc2ccccc2)C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Sc2ccccc2)cc1,1
O=c1[nH]c(=O)c2[nH]c(=S)n(-c3ccccc3)c2[nH]1,0
CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Br)cc1,0
Cc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2)Sc2cc(Cl)c(C)cc2S(N)(=O)=O)cc1,1
Br.CN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1,0
COc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12,1
C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C\CC#CCCCCCC/C=C/[C@H](O)C#C,1
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccnc1Nc1cccc(C(F)(F)F)c1,1
Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H](C(C)(C)C)C[C@H]1c1c-3c(O)n(-c2ccc3c(c2)OCO3)c1O,1
COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC,0
Nc1ccc(OC(=O)Nc2ccc(O)cc2)cc1,0
C[C@H](O)CNc1[nH]c(N)nc(=O)c1N=Nc1ccccc1,0
O=C1CC(=NCCNCCO)C(=O)c2c1c(O)c1ccccc1c2O,1
Cc1ccc(SCCC(=O)O)cc1,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CO2,1
COc1cc(-c2[nH]nnc2-c2cnccn2)cc(OC)c1OC,0
CNC(=S)N(C1CCCCC1)C1CCCCC1,0
Cc1nccnc1N1CCCCC1.O=S(=O)(O)O,0
CCOC(=O)CC(=O)NC(C)(C)CCCCC(C)(C)NC(=O)CC(=O)OCC,0
[O-][n+]1cccc(O)c1,0
CC(=O)O.CC[C@H](N)Cc1c[nH]c2ccccc12,0
O=C(O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1,0
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,0
CC(=O)N(C)c1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1.Cl,1
O=C1NCC(c2ccccc2)(c2ccccc2)C(=O)N1,0
Cn1c(=O)c2nc(NCc3ccccc3)sc2n(C)c1=O,0
O=C(N[C@H](Cc1ccccc1)c1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4)c1ccccc1,0
O=C1CS[C@@H](c2ccc(F)cc2)N1NC(=O)C(O)(c1ccccc1)c1ccccc1,0
O=c1cc(-c2ccc3ccccc3c2)[nH]c2ncccc12,1
CC(C)(Cl)[C@@H](Cl)CC/C(CBr)=C(\Cl)CBr,1
O=C(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1,0
O=C1C(=NCCF)C(Cl)C(=O)c2ncccc21,1
O=C(O)Cn1c(O)c2c(c1O)C1CCC2C1,0
CCn1cnc2c(SC)ncnc21,0
Cc1ccc2[nH]c(-c3c(CCCO)noc3N)nc(=O)c2c1,0
CC(Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)O,0
O=c1cc(O)[nH]c2ccccc12.[Na+],0
CCOC(=O)c1cccc(OCC)c1,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1,1
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,1
COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1C[C@@H](F)CC1C=N3)N=CC1C[C@@H](F)CN1C2=O,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(=O)CO)CC1OC1CC(O)C(O)C(C)O1)C3=O,1
O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1,0
CC(C)N(Cc1ccccc1)c1c(Cl)ssc1=O,0
CCOC(=O)C(=O)N[C@@H]1CC=CC[C@@H]1c1ccc2c(c1)OCO2,0
Cc1cc(=O)[nH]c2c3c(ccc12)OC(C)(C)C=C3,1
CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(-c3ccccc3)cc2)n(C)c1C,1
CCN(CC)C(=S)NN=Cc1cc([N+](=O)[O-])ccc1O,1
CN=C(NCCCOC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NCCCOC)cc3)cc2)cc1,0
Cn1c(=O)c2c(nc(CCCc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2C)n(C)c1=O,0
[F-].[F-].c1ccc([Sn+2]c2ccccc2)cc1,1
O=S1(=O)CCN(C2CC2)CC1,0
c1ccc(N(c2ccccc2)c2ccccc2)cc1,0
COc1cc2c(cc1C[N+](C)(C)CSc1ccccc1)-c1ccccc1CC2.[Br-],1
C#CC[N+](CCO)(CCO)CCCCCCCCCCCCCCCCCC.[Cl-],1
O=S(=O)(Nc1ccccc1)c1ccc(C2CC3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)cc1,1
Oc1ccc2ccccc2c1CN1CCOCC1,0
CC(=O)C(=Cc1c(-c2ccccc2)[nH]c2ccccc12)S(C)(=O)=O,1
CCCCCCCCCCCCCCCCCCCCBr,0
N#Cc1nc(Nc2ccc(Cl)cc2)sc1N,1
C=C(c1ccccc1)c1sc(=S)[nH]c1O,0
CC1=CC(C)(C)NC(=S)N1c1ccc2ccccc2c1,0
COc1cc2c(cc1OC(C)=O)C(=O)CCCC2,0
CN(C)CCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2,1
Cc1ccc(S(=O)(=O)OC2COCOC2C(OS(=O)(=O)c2ccc(C)cc2)C2OCOCC2OS(=O)(=O)c2ccc(C)cc2)cc1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(=O)CO)CC1OC1CC(N)C(OC2CCCCO2)C(C)O1)C3=O.Cl,1
CC1c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)C(N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl,1
C=CCCC1(CC(C)C)C(=O)NC(=S)NC1=O,0
Nc1ccc2c(c1)C(=NO)c1ccccc1-2,0
ON=C1c2ccccc2-c2ccc(O)cc21,0
C[C@@H]1O[C@@H](CC(=O)O)Cc2c1c(O)c1c(O)cc(C3=CC(=O)C4=C(C3=O)C(=O)C3=C[C@@H](CC(=O)O)O[C@H](C)C3C4=O)c(O)c1c2O,0
C[C@@H]1CCCN1CCC(C(N)=O)(c1ccccc1)c1ccccc1,0
N#Cc1ccccc1Cl,0
CCOCCc1c(O)[nH]c(SC)nc1=O,0
CC(=O)N(c1ccccc1)c1nc2ccccc2s1,0
O=c1ccc(Cl)n[nH]1,0
CCC(=O)c1ccc(OC)c(OC)c1O,0
O=C1C(=Cc2ccc(Cl)cc2)CCCC1=Cc1ccc(Cl)cc1,1
CC(=O)N1CCN(C(C)=O)c2ccccc21,0
S=C(NCCN1CCOCC1)C(=S)NCCN1CCOCC1,0
CC(=O)N1OC(C)CC1Nc1ccc(Br)cc1,1
CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-],1
Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1,0
CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2[nH]nc(C(C)C)c2n1,1
CCOC(=O)N1C2CCCCC21,0
O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)C2(Cl)CC=CCC12Cl,1
C/C=C/c1ccc(OC)cc1,0
CC(C)=CC(=O)OC(=O)C=C(C)C,0
COc1ccccc1NC(=O)Nc1cc(C(C)C)ccc1C,0
CCN(CC)CC(O)CN(CC)CC,0
CC(=O)Oc1ccc2c3c1[C@@H]1O[C@@H]1c1cccc(c1-3)[C@@H]1O[C@H]21,1
Cc1ccc2c(c1)nc1c3ccccc3nc(-c3ccccc3N)n21,0
c1ccc(C2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1,0
Cc1cccc(C)c1NC(=O)NCc1ccco1,0
O=C1c2ccccc2C(=O)c2c(NCCCN3CCOCC3)ccc(NCCCN3CCOCC3)c21,1
COc1ccccc1C(C(=O)O)c1ccccc1,0
CCc1ccccc1N,0
CCOC(=O)c1c2c(c(C)n1C)-c1oncc1CC2,0
Cc1cc(NC(=O)NC(=O)c2ccccc2N(C)C)ccc1Oc1ncc(Br)cn1,1
Cc1cccc(N=C2SC3(CCCC3)NC(=O)C2C#N)c1,0
COc1cc(Nc2nnc3n2S(=O)(=O)c2cc(C)c(Cl)cc2S3)cc(OC)c1,1
NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O,0
CS(=O)(=O)c1ccc(C(=O)O)cc1,0
CCOC(=O)CSCC(=O)OCC,0
Nc1nc(N)nc(N)n1,0
O=C1CO[C@H]2CCCC[C@@H]2O1,0
Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1,0
N#CC1C(=N)n2c(sc(=Cc3ccc(Cl)cc3)c2=O)=C(c2nc3ccccc3[nH]2)C1c1ccc(Cl)cc1,1
CC1(C)COC(c2ccc(CC(Cc3ccc(C4(C(C)(C)C)OCC(C)(C)CO4)cc3)C(=O)O)cc2)(C(C)(C)C)OC1,1
O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl,1
COC(=O)CC[C@@H](C)[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@]12C,0
COc1cc([N+](=O)[O-])c2nc(C)ccc2c1[N+](=O)[O-],0
O=C(CNCCCCCNCC(=O)OC1CCCCC1)OC1CCCCC1,0
COc1cccc2c1[C@H](CO)N1[C@H](C#N)[C@H]3CC(C(=O)O)[C@@H]([C@@H]1C2)N3C,1
O=NC(=CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)C(=O)Nc1c(Cl)c(O)c2ccccc2c1O,1
CC1CCCN(CCC(=O)c2ccccc2)C1,0
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O[C@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C,1
O=C1C=CC2c3c(c(O)n(-c4ccccc4)c3O)C1N2Cc1ccccc1,1
c1ccc2scnc2c1,0
Cc1nc2ccccc2c(N)c1-c1cc(C)c2c(C)nc3ccccc3c2n1,1
O=c1[nH]c2ccccc2n1C1=CCNCC1,0
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccccc2)c1.CCS(=O)(=O)O,1
CC(=O)c1c(O)c(CSCc2ccccc2)n(C)c1O,0
CO.COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1,1
Cc1ccc(NC2(C#N)CCN(Cc3ccccc3)CC2)cc1,0
CC(=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1,0
C[C@H]1CN1C1=CC(=O)c2c(c(CO)cn2C)C1=O,1
O=C(C=Cc1cccc2ccccc12)c1cccc2ccccc12,1
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)ccc3nc2-1,1
C[C@]1([N+](=O)[O-])CO[P@@](=O)(NC2CC2)OC1,0
O=COCCCOCCCOc1ccccc1,0
COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1,1
CC1(C)O[C@@H]2O[C@@H]3[C@H](O[C@@H](c4ccccc4)O[C@@H]3CN)[C@@H]2O1,0
COC(=O)C1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@@]1(C)C(=O)OC,0
COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccccc2)cc1,1
Cc1cccc(C(=O)c2ccc(Cl)cc2)c1O,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=NO)cc(OC)c1OC,1
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.CS(=O)(=O)[O-],1
O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])cc1,0
N#CC(=Cc1cccc(F)c1)C(=O)c1ccccc1,0
N#CC(C#N)=C/C=C(\Sc1ccc(F)cc1Cl)c1ccc(Cl)cc1,1
COC(=O)C(c1ccccc1)C(Cl)(Cl)Cl,0
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[Cl-].[Cl-].[H+],0
COc1cccc(-c2cc(=O)c3cc(N4CCCCC4)ccc3[nH]2)c1,1
CC(=O)OCCOCCOC(C)=O,0
CNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
NC(=O)c1ccc(Cl)c(Cl)c1,0
Cl.NC(=NO)c1cn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]cnc(=NO)c12,1
COc1cccc(-c2c(-c3ccccc3)[nH]c(C)c2C(=O)ONC(=O)c2ccccc2)c1,1
CC(=O)Nc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1,1
c1cc2c(cc1N=C1NCCO1)CCCC2,1
Nc1ccc2c(c1)C(=O)NC2=O,0
CC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],1
O=C(O)C(F)(F)F.O=C1C(Br)=C[C@@]2([N+](=O)[O-])CCN=c3c(O)c4c5c(c3=C2C1Br)=NCCC=5C=N4,1
C#CCN=C(N/N=C/c1ccc(Cl)cc1)NS(=O)(=O)c1c[nH]ccc1=S,0
CCOC(=O)c1c[nH]c2c(OC)ccc(OC)c2c1=O,0
O=[N+]([O-])c1cccc(NP(=O)(N2CC2)N2CC2)c1,0
COc1cc(/C=C/C(=O)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)c2)cc(OC)c1OC,1
CC(=NNc1ccc([N+](=O)[O-])cn1)c1ccc(N)cc1,0
c1ccc(C2OCCN2c2ccccc2)cc1,0
Cc1ccc(C(=O)CCl)o1,1
CCOC(=O)c1c(C)n(CC(C)C)c2c1cc1oc(=O)c(=O)n3cnc2c13,1
O=C(c1ccccn1)N1CCN(C(=O)c2ccccn2)CC1,0
COc1ccc2sc3cccc(NCCN(C)C)c3c(=O)c2c1,1
COc1ccc(OC)c(C=Cc2ccnc3ccccc23)c1,1
O=C1C(Cl)=C(OCCCCl)C(=O)c2c(O)ccc(O)c21,1
CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,0
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)C3C(=O)C[C@@]21C,0
CCN(CC)CCNc1c(OC)cc(C)c2sc3ccccc3c(=O)c12.O=C(O)C=CC(=O)O,1
CC(=O)OCCSC#N,0
CCCCCN(CCCCC)N=O,0
CCN(CC)CCN1CNC(=S)NC1,0
C[C@@H]1CN(C=O)[C@@H](C)CN1C(=S)Nc1ccccc1,0
COc1ccccc1NC(=O)CCl,0
CN(C)C(=S)NN=CC(=NNC(=S)N(C)C)c1ccccc1,1
C/C=C(/CC[C@@H]1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C,1
Nc1c(C(=O)c2ccccc2)sc2nc(-c3cc4ccccc4o3)cc(-c3ccc(Cl)cc3)c12,0
O=C(OC[C@H](O)[C@H](O)[C@@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1,0
O=C(Nc1ccc(S(=O)(=O)F)cc1)Oc1ccccc1,0
CCCn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O,1
O=C(O)CC=CBr,0
O=C(O)C1CCC(=O)N1C(=O)OCc1ccccc1,0
CCCN(CCC)CCc1cccc2[nH]c(O)cc12.[Cl-].[H+],0
Cc1nc(N)nc(N)c1CCCCc1ccc(N)cc1.O=S(=O)(O)O,1
CC(C)NCCCCCCl,0
c1ccc(CN2CCOC2)cc1,0
CC(=O)Nc1cccc(C(=O)O)c1,0
CCCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1,1
O=C(O)C[n+]1ccccc1.[Cl-],0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C2OC(C)(C)OC(C2C)C(C)C(OC(C)=O)C1C,1
C[C@@H]1CC[C@H]2C(COCC3=C(C(F)(F)F)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4,1
N#Cc1ccc(OCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)cc1,1
ClC1C2CC3C(C2)C13,0
Brc1nsc(SSc2nc(Br)ns2)n1,0
CC(C)COC(=O)N1c2ccccc2C=C[C@@H]1OCC(C)C,0
Cc1cc(O)c(C(C)C)cc1O,0
O=C(Nc1ccccc1)OCCCCOC(=O)Nc1ccccc1,0
[C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)C(=C)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1,1
CN(C)CC1CCC/C(=C/c2ccc(OC(=O)/C=C/c3ccc(Cl)c(Cl)c3)cc2)C1=O.Cl,1
O=C(O)c1ccccc1-n1c2ccccc2c2ccccc21,0
CCOC(=O)C(Cc1ccnnc1)=NO,0
COc1cc(NCCCCN=C(N)N=C(N)NC(C)C)c2ncccc2c1,1
COc1ccccc1N1CCN(C(=O)CCCl)CC1,0
COc1ccc(N[C@H]2Oc3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2C)OCO4)cc1,1
Cc1ccc(/C(Cl)=C/C=C(C#N)C#N)cc1,1
O=C1CCCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3,1
O=c1nc(Nc2cccc(Cl)c2)oc2cc(Cl)oc(=O)c12,1
CC(=CC(C)c1ccccc1)[N+](=O)[O-],0
CCCCn1cnc2c(SCCc3ccccc3)nc(N)nc21,0
N#Cc1c(NC(=O)c2ccco2)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-],0
COc1cc([N+](=O)[O-])c2nc(C(=O)O)ccc2c1,0
CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(S(=O)(=O)N=C(N)N)cc3)c3ccccc3nc12,1
COc1ccccc1/C=C1\Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]2C1=O.Cl,1
O=C1C(=O)c2c(nc3ccc(Cl)cn23)-c2ccccc21,1
CCOC(=O)c1[nH]c(C)c2c1CCc1cncnc1-2,0
C1CCC(C2CCCC2)CC1,0
CC(C)CNS(=O)(=O)c1ncnc2[nH]cnc12,0
O=c1c(/C=C/c2ccco2)nnc2sc(Nc3ccc(Cl)cc3)nn12,0
O=c1cc(-c2cccc(OC(F)(F)F)c2)[nH]c2ccc(N3CCCC3)cc12,1
CCOCC(C)C(OCC)OCC,0
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(F)cc2F)cc1,1
c1nc(SSc2ncnc3[nH]cnc23)c2[nH]cnc2n1,1
Cc1cc(=O)[nH]c(NN=Cc2c(Cl)cccc2Cl)n1,0
CCOc1ccc(N2C(=O)C(C)CNC2=S)cc1,0
CC=CC(O)c1ccccc1,0
CC(=O)CC(=O)Nc1cccc(Cl)c1,0
CCC(=Cc1ccc(Cl)c(Cl)c1)[N+](=O)[O-],1
CCC(CCc1ccccn1)C(=O)c1ccccc1,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)ccc1OCCCn1ccnc1,1
CC1=NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)C2(CCCCC2)C1C(=O)Nc1ccccc1,1
Cc1ccc(NSc2ccccc2[N+](=O)[O-])cc1,1
COc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1,0
O=C1C2CCC1C(N1CCCC1)CC2,0
N=c1c2ccccc2nc2n1CCCCC2,0
CC1(C)N=C(N)N=C(N)N1c1cccc(C#N)c1.CCS(=O)(=O)O,1
C[C@H](O)CC(=O)CO[C@@H]1C2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@H](O)[C@H]1O)OCO4,1
O=[N+]([O-])c1cc2no[n+]([O-])c2cc1N1CCCCC1,1
CN(C)c1ccc(C(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1,1
c1ccc(-c2ccc([C@H]3CCCN3)cc2)cc1,0
Brc1ccc(CN(Cc2ccccc2)C2CCCCC2)cc1,0
O=C(c1ccccc1)c1ccccc1C(=O)N(CCO)CCO,0
COc1cc(C2c3cc4c(cc3C(NCCNCCO)C3COC(=O)C23)OCO4)cc(OC)c1O,1
NC1(C(=O)O)CSSC1,1
Cc1c(-c2ccccc2Cl)nc2ccccc2c1C(=O)O,0
CC1(C)C2CC1C(CCCCCC1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12,1
CC(C)COC(=O)Cc1ccccc1,0
Cc1ncc([N+](=O)[O-])n1CCO,0
NC(C=O)C(O)C(O)C(O)CO.[Cl-].[H+],0
NS(=O)(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1,0
O=[N+]([O-])c1ccc(Sc2cccc[n+]2[O-])c2nonc12,1
CO[C@@H]([C@H](C)[C@H]1OC(=O)C=CC=C(C)C[C@@H](OC)[C@@H](OC)C2=CC(=O)O[C@@H]([C@@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](O)C[C@H](OC)/C=C/[C@@H]1C)[C@H]2O)[C@H](C)CCC(=O)C(C)[C@@H](CC(=O)O)OC,1
CCOC(=O)C(C(C)=NCC(C)C)c1cc(O)c(O)c2c(C)cc(=O)[nH]c12,1
NC(CO)(CO)c1ccccc1,0
Oc1cccnc1CN1CCCC1,0
COc1cc([N+](=O)[O-])c2ncccc2c1[N+](=O)[O-],1
N#CC(c1ccccc1)C1CCCCC1,0
O=[N+]([O-])c1cccc(Oc2ncccc2[N+](=O)[O-])c1,0
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)NN1C(=O)NC2(CCCCC2)C1=O,0
N#C/C(=C\c1c(Cl)cccc1Cl)c1ccccc1,1
Nc1cc2c(O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O,0
Cc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1,0
O=C(O)c1ccc(Cl)nc1,0
O=C1CCCC1C(=S)Sc1cc(O)[nH]c1O,0
CCCC[Sn+](CCCC)Sc1ncccc1C(=O)[O-],1
CC1CN(Cc2ccccc2)C(=S)NC1=O,0
CC(=O)N=C1C(=O)c2nc3n(c2C(=O)C1C)CC[C@@H]3OC(=O)CCl,1
CN(CCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc12)CCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc12.Cl,1
CCOn1nnc2c(Cl)c3[nH]ccc(=O)c3cc21,0
Cc1ccc(C(=O)O)c(C(=O)O)c1,0
O=C(/C=C/c1ccccc1Br)c1ccccc1,1
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,1
CCCCCNC(=O)c1ccc(Cl)cc1Cl,0
OC[C@H]1O[C@H]2[C@@H](NC(=S)N2c2ccccc2)[C@@H](O)[C@@H]1O,0
Cl.N=C(NC1CCCCCC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CCCCCC4)cc3)CC2)cc1,1
COc1ccc(NC(=S)Nc2ccccn2)cc1,0
Clc1ccccc1CN1COc2c(ccc3cccnc23)C1,1
O=C1C=Cc2cc3ccccc3c3cccc1c23,1
COc1ccc2c(c1C)CC[C@](C)(C#N)C2=O,0
S=C1SCC(COc2ccc(Cl)cc2)S1,0
COC(=O)C=CC=C(c1ccccc1)c1ccccc1,1
COCCNC(C(=O)c1ccccc1)c1ccccc1,0
CCN(CC)CCNc1ccc2ncn3c4ccccc4c(=O)c1c23.Cl,1
CC1(C)CCCCC1C=CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1
O=c1[nH]cc(CN2CCOCC2)c(=O)[nH]1,0
CC(=O)Oc1ccccc1C=CC(=O)C=Cc1ccccc1OC(C)=O,1
Cc1ccc(/C=C2\CCCC(CN3CCCCC3)C2=O)cc1.Cl,1
O=C(Nc1ccc2c(c1)[C@@H](N1CCOCC1)c1ccccc1-2)C(F)(F)F,0
CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(C)c3nc12.O=S(=O)(O)CCO,1
O=C(c1ccc(Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1)N1CCOCC1,0
COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=CC1=O,1
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccc(C(F)(F)F)cc1,1
O=c1c(=NO)c([N+](=O)[O-])c[nH]n1-c1ccccc1,1
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=N/OCCN3CCCCC3)CC[C@@H]12.Cl,1
Oc1cccc2cc(Br)cnc12,1
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)COc1ccc(N(CCCl)CCCl)cc1,1
C=CCNC(=S)NN(C)C,0
NC(CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(=O)O,0
CN(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,0
CCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1,1
Nc1ccccc1Sc1cc(O)n(-c2ccc(Cl)c(Cl)c2)c1O,0
COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1,0
CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1,0
COC(=O)Cc1[nH]cnc1C(N)=O,0
CC(C)(CN1CCCCC1)C(=O)C[C@@H](SCCS(=O)(=O)O)c1ccc(Br)cc1.Cl.[Na+],1
O=C1O[C@@](c2ccccc2)(c2ccc(O)cc2)c2ccccc21,0
O=c1[nH]c(=S)[nH]c(O)c1-c1ccccc1,0
COc1ccc(OC)c(N[P@]2(=O)OC[C@](C)([N+](=O)[O-])CO2)c1,0
O=C(O)C1C[C@H]2CC[C@@H]1CC2,0
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1ccc2c(c1)OCO2,0
NC[C@@H](O)CNCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC/C=C\CCNC[C@H](O)CN,1
O=C(C1=C(c2ccccc2)CCC1)c1ccccc1,0
CC(=O)OCOC1C(COC(C)=O)OCOC(COC(C)=O)C1OCOC(C)=O,0
I[Bi]1(I)SC(N2CCSCC2)=[SH]1,1
O=C1CC(c2cc3ccccc3o2)=NCCNC1=O,0
CN(C)CCCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23.Cl,1
CC(C(=O)c1cccs1)C(=O)C(F)(F)F,0
CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12,0
OCC1(CO)COC2(CCCC2)N1,0
Cc1ccc(C2=C(c3ccc(C)cc3)CS(=O)(=O)C2)cc1,0
O=C(CCl)N1c2ccccc2Sc2ccc3ccccc3c21,1
N#CC1(Nc2ccc(S(N)(=O)=O)cc2)CCCC1,0
O=[N+]([O-])c1ccc(/C=N/c2ccccc2)cc1,0
Cc1ccc(OCc2ccccc2Br)cc1,0
Nc1nc(SCc2ccccn2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,0
COC(C)(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@@]23C[C@@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]2O)[C@]13C,1
CCCCn1c(-c2cccc(OC)c2)nc2cc(OC)c(OC)cc2c1=O,0
CN(C)CCNC(=O)c1cccc2nc3c(C(=O)NCCN(C)C)cccc3nc12.Cl,1
Cc1cc2c(s1)C(=O)c1ccsc1C2=O,1
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3COC(=O)N32)cc(OC)c1OC,1
CCCCCCCCC=CC1CCC(CN(C)C)C1=O.Cl,1
Nc1cc(Br)ccc1Br,0
CC1CCN(C(=O)CC#N)CC1,0
Cc1ccc(CN2CC[C@H]3CC[C@H](C3)C2)c(O)c1,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CO2,1
O=C(O)c1c(-c2ccc(Cl)c(Cl)c2Cl)nc2n1CCS2,0
COc1ccc(NC(=O)C(O)c2ccccc2)cc1,0
N#Cc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1NS(=O)(=O)c1ccc(N)cc1,0
O=C1NC(c2ccccc2)Nc2ccccc21,1
COc1ccc(-c2[nH]nc(N)c2-c2ccccc2)c(O)c1,0
C[C@H]1O[C@@H](O[C@@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC(C(=O)O)[C@H](O)[C@@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O[C@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O,1
CC[C@@H](C)P(=O)(N1C[C@H]1C)N1C[C@H]1C,0
CCCCCCOC(=O)CC1CC(C(C)=O)C1(C)C,0
O=[N+]([O-])c1ccc(C=Nc2cccc(C(F)(F)F)c2)cc1,0
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3F)cnc2n1.O=C(O)C(F)(F)F,1
C[C@H](O)C[C@H](O)C[C@@H]1CCCO1,0
CCCCC[C@@H]1C(C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC,0
Cc1ccc([S@@+](c2ccccc2)c2cc(C)ccc2C)cc1.[Br-],1
CCO.Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1,1
BrCC(Br)(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1,1
ClCCN1CCCCCC1,0
CN(C)CCNC(=O)c1cccc2[nH]c(-c3ccncc3)nc12.Cl,1
O=S(=O)(Nc1cccc(O)c1)c1ccccc1,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)[C@H]2c2cc(Br)ccc2O)cc1,1
COc1ccc([C@@H]2CC(c3c(O)ccc4c(C)cc(=O)oc34)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,0
C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C,1
CCOC(=O)CCC(N)C(=O)NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OCC.O=C(O)C(F)(F)F,1
C[C@H](Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C)C1CCCCC1,0
O=Nc1ccc(O)c2ncccc12,1
COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
Nc1ncnc(Nc2ccccc2Oc2ccccc2)n1,0
CNC(=S)n1cnc(N)n1,0
O=c1oc2ccccc2c2c1C(c1coc3ccccc3c1=O)c1c(c3ccccc3oc1=O)O2,0
CC(=O)c1cccc(OC(=O)Oc2cccc(C(C)=O)c2)c1,0
Oc1ccc2ccccc2c1CN1CCCCC1,0
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)CCl,1
Nc1cccc2c(=O)[nH][nH]c(=O)c12,0
COC(=O)C1=CN(CC2=CC(=O)C(C)=CC2=O)C=C(C(=O)OC)C1c1cc(OC)ccc1OC,1
O=C(NCc1ccco1)Nc1ccc([N+](=O)[O-])cc1,0
C=C1C(=O)O[C@H]2CC(C)=CCC[C@@]3(C)O[C@](C)(CC[C@@H]3I)[C@@H](I)C[C@@H]12,1
Nc1ncnc2c1N=C1c3ccccc3CCC1[C@@H](c1ccc(F)cc1)N2,0
Cc1[nH]c(C(Cl)(Cl)Cl)nc(=O)c1SCCO,0
CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])o2)cc1,1
N[P@](=O)(Oc1c2occc2cc2ccc(=O)oc12)N(CCCl)CCCl,0
O=C(O)Cc1ccc(C2CCCCC2)cc1,0
CC(=NNC(=S)N1CCCCCC1)c1nccnc1C,1
COc1cc([C@@H]2C3=C(CCC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
C=c1c(O)cc(-c2c(-c3cc(O)c(=C)c(=C)c3O)c(O)c(=C)c(=C)c2O)c(O)c1=C,1
O=[N+]([O-])c1cc2cccnc2c2ncccc12,0
C=CCOC(=O)CC(C)=O,0
CCc1s/c(=N\N=C(/C)c2cccs2)n(-c2ccccc2)c1O,0
O=c1c(Cl)c(Cl)cnn1-c1ccccc1,1
CCCCCC(N)=O,0
CCN(CC)CCNc1n[n+]([O-])c2ccccc2[n+]1[O-].O=C(O)C(F)(F)F,1
N#CC(c1ccccc1)c1ccc(N=O)cc1,1
Cc1ccc(C2=C(c3ccccc3)C(c3ccccc3)Oc3ccc(C)cc32)cc1,1
O=C(O)C(F)(F)F.Oc1c2c3c(c4c1NCC[C@]41C=C(Br)[C@@H](O)C(Br)=C1)=NCCC=3C=N2,1
CN1CN(C)CN(C)C1,0
COc1cc2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(Cl)n(Cc3ccccc3)c2cc1C,1
C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1,1
NC(C(=O)O)C(O)c1ccco1,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3ccccc3c1)CN2.Cl,1
CCOC(=O)C1N(Cc2ccccc2)C(=O)c2c(Cl)cc(Cl)cc2N2CCC(=O)[C@@]12C(=O)OCC,0
C(=NNc1nc2ccccc2s1)c1cccc2ccccc12,0
C[C@H]1CC[C@H](SCc2ccccc2)CC1,0
NC(=O)SCC(N)C(=O)O,0
COc1cc(/C=C/c2ccccc2)oc(=O)c1,0
CCCCCCCCCCCCCCC[C@@H]1C[N+](C)(C)CCO[P@@](C)(=O)O1.[Br-],1
CC(=O)O[C@H]1Oc2cc(C)c(C)cc2-c2oc(=O)c(-c3cc4ccccc4oc3=O)cc21,0
NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1,0
C=C(C)CC1(CC)C(=O)NC(=S)NC1=O,0
CCCC1=NC(=O)N[C@H](c2ccc(OC)cc2)C1C(=O)OCC,0
CC(=O)C=CC1=C(C)CCCC1(C)C,0
C[N+](C)(C)Cc1ccccc1.[I-],0
CCOC(=O)CCC(NC(=O)C(N)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OCC.O=C(O)C(F)(F)F,1
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2Cl)cn1,0
CC1=C[C@H]2CC(C)=C(CC[C@]3(C)CC[C@H](C(C)C(=O)O)OO3)C(C)(C)[C@@H]2CC1,1
Oc1c(CN2CCN(c3ccccc3)CC2)cc(Br)c2cccnc12,1
CC1=NS(=O)(=O)NC(C)(C)C1,0
c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1,0
CC1=C(N2CC2)C(=O)c2ccccc2C1=O,1
Cc1c(N=Nc2c(O)[nH]n(-c3nc(-c4ccccc4)c(C#N)c(=O)n3C)c2=O)c(=O)n(-c2ccccc2)n1C,0
OC(c1ccccc1)C(c1ccccc1)N1CCOCC1,0
c1ccc2c(-c3ccnc(-c4c[nH]c5ccccc45)n3)c[nH]c2c1,1
BrCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,1
CCOc1ccc2ccccc2c1,0
N=C(N)NN=CCO,0
CCOC(=O)Cc1ccccn1,0
O=[N+]([O-])c1[nH]cnc1Br,0
COc1ccc(C(Cl)=C(C=O)c2ccc(F)cc2)cc1,1
O=C(Nc1cccc(S(=O)(=O)F)c1)Oc1ccc([N+](=O)[O-])cc1,0
O=C(O)CN(CCO)CC(=O)O,0
N#CC(c1ccccc1)c1ccc(N=O)c(Br)c1,1
CC(C)(C)C#C[PH](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F,1
N#Cc1ccc([C@@H]2SCC(=O)N2NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1,0
c1ccc2sc(SSN3CCOCC3)nc2c1,0
Cn1c(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O,0
Cc1cccc2c(=NCCCN(C)C)c3c([N+](=O)[O-])ccc(C)c3[nH]c12.Cl,1
CCCCn1c(N)c(N(CC)C(=O)Cc2c(Cl)cccc2Cl)c(=O)[nH]c1=O,0
O=[P@]1(NC2CCCC2)OCC2(CO[P@](=O)(NC3CCCC3)OC2)CO1,0
Cn1ccnc1S/C(=C\C=C(C#N)C#N)c1ccc(Cl)cc1,1
CC(=O)NC[C@H]1c2c(n(C)c3c(Cl)c(Cl)ccc23)C(=O)NC1(C)C,0
CCC[n+]1cc2cc(OC)c(OC)cc2c2c1-c1cc3c(cc1C2)OCO3.[Cl-],1
S=C(NCNC(=S)c1ccncc1)c1ccncc1,0
C=C(C)CSc1ncnc2[nH]cnc12,0
O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1,0
CCCCCC[C@H](C)OC(=O)Nc1cccc2ccccc12,0
Cc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl,1
CCc1c(N)nc(N)nc1Nc1ccc(C)c(C)c1,0
COc1ccc(C=C2C(=O)ON=C2C)cc1,0
CCOC(=O)c1cnc(N)nc1-c1ccccc1,0
CCCCCOc1ccccc1[N+](=O)[O-],0
COc1cc(/C=C2/CCS(=O)(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC,1
Fc1cc(-c2cc(-c3ccc4c(c3)OCO4)[nH]n2)c(Cl)cc1Cl,1
COc1cccc(-c2cc(=O)c3c(C)ccnc3[nH]2)c1,1
CC1(C)C=C2OC3=C(C(=O)CC(C)(C)C3)C(CC(c3ccccc3)c3ccc(O)c(O)c3O)C2C(=O)C1,1
CCOP(=O)(CC[Se][C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O)OCC,1
COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,1
Clc1ncc(C(Cl)(Cl)Cl)nc1-c1ccccc1,1
COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(Cl)cc3)c3nc(C#N)c(C#N)nc32)cc1,1
O=[N+]([O-])c1ccc(COP(=O)(OCc2ccc([N+](=O)[O-])cc2)OCc2ccc([N+](=O)[O-])cc2)cc1,0
C=CCNC(=S)N=CC(C(C)=O)C(=O)Nc1ccccc1C,0
NCC(=O)CCC(=O)O.[Cl-].[H+],0
CC[C@@]1(CC(C)C)SC(=N)NC1=O,0
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO[P@@](=O)(OCc3ccc([N+](=O)[O-])o3)N(CCCCCl)C[C@H](O)CO)O2)cc1F,1
CCCCCCCCCC=CCCC(=O)N=CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](Nc2ncnc3[nH]cnc23)O[C@H]1[C@H](O)CO,1
Cn1c(=O)c2[nH]c(NN=Cc3cccc(Br)c3)nc2n(C)c1=O,0
OCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,1
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1,1
CC(O)C(=O)O.N,0
CSc1nc(N)nc2c1ncn2Cc1ccccc1,0
O=C(O)c1ccccc1C(=O)c1cc(Cl)cc(Cl)c1O,0
COC(=O)Cc1[nH]c(=O)[nH]c1C(=O)OC,0
Oc1ccc(Cc2ccccc2)c2cccnc12,1
Clc1nc2ccccc2nc1CI,1
CCCC[C@H](CCCCC[C@@H](CCCC)NCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2.Cl,1
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1NC(C)=O,0
CCCCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO,1
Cl.O=c1c(C=Nc2nc(-c3ccc(O)c(O)c3)cs2)c(O)oc2ccccc12,1
C1COC2(CCC3(CC2)OCCO3)O1,0
NC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1,0
CCOC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@H]3c1ccc(Cl)cc1,1
COc1ccc2cc(-c3cc4ccc(OC)cc4oc3=O)c(=O)oc2c1,0
Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)O,0
CCOC(=O)C(=CC(=O)O)C(C(=O)OCC)C(=O)OCC,0
CC(C)(C)CC(C)(C)c1ccc(O)cc1,0
CCOC(=O)C1(NC(=O)C(CO)NC(C)=O)CCCC1,0
COC(=O)C1C2C[C@H](CC2=O)C1C(=O)OC,0
Cn1c(=O)c2[nH]c(CCC3CCCC3)nc2n(C)c1=O,0
Cn1cc2c(c1-c1ccccc1)CCc1cnoc1-2,0
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5ccncc5)[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1,1
CC(=NNC(=S)NC(C)(C)C)c1ccccn1,1
Cc1csc(-c2cn(C)c3c2C(=O)C(=N)CC3=O)n1,1
CCOC(=O)c1c(N2CCN(C)CC2)[nH]c(=O)c(C=Nc2ccc(OC)cc2)c1O,0
CNCCc1ccc(OC)c(OC)c1.Cl,0
S=c1[nH]cnc2nc[n-]c12.S=c1[nH]cnc2nc[n-]c12.[Pd+2],1
O=c1c2ccccc2n(C[C@H](O)CN2CCCC2)c2ccccc12,0
COC1=CC(=O)O[C@@](C)(c2ccccc2)C1,0
O=C(O)c1ccccc1Cc1ccc2c(c1)CCCC2,0
Clc1ccc(CSc2cc(SCc3ccc(Cl)cc3Cl)nc(SCc3ccc(Cl)cc3Cl)n2)c(Cl)c1,0
O=C1C(=NCCO)C(Cl)C(=O)c2c(O)ccc(O)c21,1
O=C1C(=NO)C[C@@H](c2ccccc2)N1c1ccccc1,0
Oc1ccccc1C=NNC(=S)Nc1ccc(F)cc1,1
COc1cc2cc(C(=O)Nc3cc4cc5ccccc5n4[nH]3)[nH]c2c(OC)c1OC,1
O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1,0
COC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CCC3,1
Cc1ccc(C(=Nc2ccccc2)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(-c2ccc(Cl)cc2)[n+]3C)cc1.O=S(=O)([O-])C(F)(F)F,1
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]3C[C@@H]3ON=C(C)[C@@H]32)C1,0
O=C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1
CN(C)CCNC(=O)c1cccc2cc3ccc4ccccc4c3nc12.Cl,1
CCCCNC1(C#N)CCN(Cc2ccccc2)CC1,0
O=C(Nc1ccccc1)Nc1ccccc1C(=O)O,0
O=C(N/N=C/c1cccc2ccccc12)C1CC1,0
COc1cc2c(cc1C)NC(=O)/C2=C/c1ccccn1,1
COc1ccc2nc3c(=C(O)NCCCN(C)CCCNC(O)=c4ccc5c6c4nc4ccc(OC)cc4c6nn5CCN(C)C)ccc4c3c(nn4CCN(C)C)c2c1,1
COc1cccc(OC)c1C=C1OC(=O)c2cccc(OC)c21,1
CN(C)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1,0
CN(C)CCN=C(O)c1cccc2nc3cc(Cl)ccc3nc12.Cl,1
O=c1oc2ccccc2cc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1,1
O=C(Oc1ccc(-c2ccc(Br)cc2)cc1)c1ccco1,0
O=c1nc2c(c[nH]1)CCc1c-2cn(Cc2ccccc2)c1-c1ccccc1,0
C#CC1(OCC2CO2)CCCCC1,0
CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1,1
CSc1nnc2c(=O)[nH]c(=O)n(C)c2n1,0
Nc1ccc(S(=O)(=O)Nc2ncc(O)cn2)cc1,0
CN(C)CCCC(C#N)c1ccccc1,0
CCCCCCNC(=S)NN=C(C)c1ccccn1,1
C[Si](C)(C)c1ccc(CC2(Cc3ccc([Si](C)(C)C)cc3)CCNC2)cc1,1
CCN(CC)CCC=C(c1cccs1)c1cccs1.O=C(O)C(=O)O,0
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)N(C(=O)/C=C/c1ccccc1)CC3,1
CCOC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O,0
CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccccc1)c1cc(C(C)(C)C)ccc1[C@]2(O)C(F)(F)F,1
Cc1ccc2nc3c(C(O)=NCCN(C)C)cccc3cc2c1.Cl,1
CC(=O)Nc1ncc(Sc2ccc([N+](=O)[O-])cc2)s1,0
CN(CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O)CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O,1
CCSc1ncnc2c1ncn2C1OC(CO)C(O)C1O,1
O=c1[nH]c(COc2ccc(F)cc2)nc2sc3c(c12)CCC3,0
CC(=O)c1cc(C)oc1C,0
O=C(O)[C@@](O)(c1ccc(Cl)cc1)C1(O)CCCC1,0
O=C1OCC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1O2)OCO3,1
CC[C@]1([N+](=O)[O-])CO[C@H](/C=C/c2ccccc2)OC1,0
O=[N+]([O-])c1ccc2c(c1)Cc1cc(F)ccc1-2,0
C#CCOC(=O)CCC(=O)OCC#C,0
O=C1OCC/C1=C/c1ccccc1,0
COc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2O)cc1OC,0
CN(Cc1ccccc1)C1=CC(=O)C(N(C)Cc2ccccc2)=CC1=O,0
CCN(CC)c1ccc2c(c1)Oc1ccc(N(CC)CC)cc1C21Oc2ccccc2-c2c1c1ccccc1n2CC,1
O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21,1
O=C(CCCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1,0
O=[N+]([O-])c1cccc2c1CCC2,0
