smiles
stringlengths 7
778
|
|---|
CC(O)(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccc2c(c1)OCO2
|
Cn1cc(C(=O)NC2CC3CCCC(C2)[NH+]3CC(=O)[O-])c2ccccc21
|
CC(SCc1ccccc1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
|
Cc1sc2nc(C(C)Sc3nnc(C[NH+]4CCCCC4)n3c3ccc(F)cc3)[nH]c(=O)c2c1C
|
CCCCCOc1ccc(c2ccc(C3=CCC(C(C)CCCCC)CC3)cc2)cc1
|
NC(N)=[NH+]CCC[NH2+]Cc1ccc(C2=CNC(CC(=O)CC3CC[NH2+]C3)=[NH+]C2O)cc1
|
[NH3+]C1CCCC1CCOCC(F)F
|
COCCOc1cccc(NC(=O)N2CCC(C)(C(=O)[O-])C2)c1
|
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2c2ccccc2Cl)cc1
|
COc1ccc(Cl)cc1C(Cl)c1cc(Cl)ccc1C
|
CC12CCC(C1)C(C)(C)C2NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCC(F)C2)c1
|
O=C([O-])C(=O)NCc1ccccc1Cl
|
CCc1ccc(c2cc(C)nc(C)n2)cc1
|
CC(C)Cn1ccc2cc(NC(=O)CCCc3nc(C(C)C)no3)ccc21
|
O=Cc1ccc2c(c1)OCC1(CO2)OCCO1
|
[NH3+]C1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccccc2)(OCc2ccccc2)C1OCc1ccccc1
|
O=C(CCl)N1CC[NH2+]C2CCCC1C2
|
CN(C)C(=O)C[NH+]1CCN(c2nc(c3n[nH]c(Cc4ccc(F)cc4)n3)c(O)c3ncccc23)CC1
|
C=Cc1cnc(C2(F)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1
|
CN(C(=O)C[NH+](Cc1ccccc1)Cc1ccco1)c1nccs1
|
CCc1cccnc1CNC(=S)NC1CCCC1
|
CC(CC(=O)NCCc1cccc(Cl)c1Cl)C1CCC[NH2+]C1
|
CC[NH+]1CCCC1Cn1c(CCOC)nc2cccnc21
|
Cc1ccc(OCCCC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
|
N#CC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1
|
CC(C)Cn1c(C(=O)NC2CC2)nnc1N1CCCC(OCC2CC2)C1
|
CC(CCc1ccccc1)NC(=O)CSCc1cccc(Cl)c1
|
COc1cc(C2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccccc2Cl)ccc1OC(C)C
|
O=S1(=O)Cc2cscc2C1
|
C#CCOC(=O)CCC(=O)OC(C)(CC)C(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCc1ccccc1)NC(=O)C[NH+]1CCOCC1
|
CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCSSCCC(=O)NCCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
|
CCC1c2[nH][nH]c(=O)c2C[NH+]1C1CC1
|
CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)c1ccccc1
|
CCOc1cccc(c2ncc(C3([NH3+])CC3)s2)c1
|
Nc1nc(N2CCOCC2)nn1C(=S)Nc1ccc(Cl)cc1
|
Oc1cc(F)cc(CNc2ccc(Br)cc2F)c1
|
CCOC1(C(Cc2c(Cl)c(C)nn2C)NN)CCCC1
|
Cc1sc(C[NH2+]C2CC2)cc1COCC1CC1
|
C[NH2+]CC(Cc1cc(F)ccc1Br)c1cccc(Br)c1
|
OCc1c(Cl)ccc2c(C(F)F)csc12
|
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(c2ccncc2)nc1OCC#CCOC(=O)Nc1ccccc1F
|
CCCn1cc(c2ccc(F)cc2C[NH2+]C(C)C)cn1
|
COC(=O)c1ccc2c(c1)NC(=O)C2C(=Nc1ccc2c(c1)CN(C(=O)C[NH+]1CCCCC1)C2)c1ccccc1
|
CCc1cc(S(=O)(=O)NC2COCC2Cc2ccncc2)ccc1OC
|
COc1ccc(C(c2ccccc2)C(C)C(=O)[O-])cc1OC1CCCC1
|
CC[NH+](CC)CCC(CCC(F)(F)F)[NH2+]C
|
CC(C)(C)CCC([NH3+])CSc1ccc(Br)cc1
|
O=C(NCC[NH+]1CCC=C(c2cccc3ccoc23)C1)c1ccc(F)cc1
|
O=C(C(=O)N1CC1)c1c[nH]c2ccccc12
|
O=C(Cc1cccc2cccnc12)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1
|
N=C1SCC(CCCCCCCCC(=O)[O-])S1
|
N#CC(Cl)c1cc(OCc2ccccc2)cc([N+](=O)[O-])c1
|
N#Cc1ccc(Nc2cc(=NC3CC3)n3ncc(=Cc4cc(O)[nH]c4O)c3n2)c(F)c1
|
O=[N+]([O-])c1ccc(C23CCC([N+](=O)[O-])(CC2)CC3)cc1
|
O=C(c1c[nH]c(=O)[nH]1)N1CC[NH+](CCO)CC1
|
Cc1csc(c2ccc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)cc2)n1
|
CCSc1ccc(C(C)NC(=O)NCCOC)cc1
|
CCC1=CCC[NH+](Cc2c(C(CC)(C(=O)CO)c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CC[NH+]6CCC43C65)[nH]c3ccccc23)C1
|
Cn1ccc(CC2CCCC2)c1N
|
C[NH+](C)C1CCN(S(=O)(=O)c2cccnc2N)CC1
|
ClCc1ccccc1Cn1cnc2nc(Cl)ncc21
|
O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1nc2ccccc2[nH]1
|
O=C1OCCN1Cc1cc(Br)ccn1
|
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)Cc2csc(c3ccc(C(F)(F)F)cc3)n2)c1
|
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccccc1OCc1ccc(Cl)cc1
|
c1ccc(Nc2nncn2c2ccccc2)cc1
|
COc1cnc2c(c3cc4c(Cl)ccnc4[nH]3)cn(CC(=O)N(C)OC)c2c1OC
|
O=C(Oc1ccccc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
|
COc1ccc(NC(=O)NC(C)C(C)C)cc1n1nnnc1C
|
CC(=O)Nc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc34)s2)c1
|
CCc1ccc(C([NH3+])c2cccc(OC)c2)cc1CC
|
COc1ccc(N)c(Oc2cccnn2)c1
|
COc1ccc(C(N)=O)cc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3c(F)cccc3F)cc2C)CC1)C(C)C
|
Cc1cc2c(cc1N)CN(C(=O)OC(C)(C)C)CC2
|
COc1ccc(n2ncc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c2C(F)(F)F)nn1
|
CCOc1ccccc1OCCC(=O)NNC(=O)COc1ccccc1C#N
|
CN(C)c1cc(Br)c(C=O)s1
|
CCc1ccc(C(C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1
|
O=C([O-])C1(n2nnnc2CCOc2ccccc2)CCC1
|
CC(C(O)c1ccc(F)cc1)[N+](=O)[O-]
|
COc1ccc(CC(=NO)c2cc(C(=O)[O-])ccn2)cc1
|
CCC([NH2+]C1CCSc2ccccc21)C1CC1
|
Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(c3cnco3)cc2)cc1
|
Cn1c(=O)n(CC(O)COC(=O)c2c3ccccc3cc3ccccc23)c(=O)n(CC(COC(=O)c2c3ccccc3cc3ccccc23)OC(=O)c2ccccc2)c1=O
|
CC(=O)NC1CCC(NC(=O)N2C3CCCC2CC3)CC1
|
CC(=O)C(N=Nc1cc(Cl)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1)C(=O)Nc1ccc(NC(=O)C(N=Nc2cc(Cl)cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)C(C)=O)c(C)c1C
|
C1=CC2CC(O1)OCC2OCc1ccccc1
|
NC(=O)CC([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)[O-])C(=O)[O-]
|
O=c1oc(=O)c2c1c(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(=O)oc(=O)c1c2c1cc(C(F)(F)F)cc(C(F)(F)F)c1
|
[O-]c1c(F)c(F)c2c(F)c(F)c3c(O)c(F)c(F)c(F)c3c2c1F
|
CCCN(CC(=O)[O-])c1nc(c2ccccc2)ns1
|
Cc1cc(NC2CC=CCC2)nc(c2ccc([N+](=O)[O-])cc2)n1
|
CC(C)C[NH+]1CCOc2ccccc2CCCCC2(CCN(C(=O)Cc3ccccc3Cl)CC2)C1
|
O=C(CCOc1ccc(Cl)cc1)NCc1cccnc1N1CCOCC1
|
CCC(C)(OC)c1nc(C[NH3+])cs1
|
CC(C)(C)c1ccc(c2c(P(=O)([O-])[O-])ccc(c3ccccc3)c2c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
|
O=C(Cc1cccc(Cl)c1)N1CC[NH2+]CC1c1cccnc1
|
O=S1(=O)CCC(SCc2ccc(Br)cc2)C1
|
O=C(Cc1ccccc1OC(F)(F)F)c1c([O-])c2cccnc2n(c2cccc(OC(F)(F)F)c2)c1=O
|
CCn1nc(C(=O)N2CCN(c3cc(OCC(F)(F)F)ncn3)CC2)cc1C(F)(F)F
|
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