smiles
stringlengths 7
778
|
|---|
CN(C)c1ccc(NC(=S)N(CCC[As](C)C)Cc2cccc3ccccc23)cc1
|
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNc1ccc(=S)c2no[nH]c1-2
|
[NH3+]C(CCC(=O)[O-])C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]
|
CC[NH+](CC)C(CNC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccc1
|
CC(C)COCCN1C(=O)C2(CCCC2)[NH2+]C1C(C)C
|
COc1cccc(CCNc2ccnc(Nc3ccc(Cl)c(Cl)c3)n2)c1
|
CC(C)(C)C(=O)NCCNS(=O)(=O)Cc1ccccc1
|
O=C(Nc1cn(C2CCCCC2)nc1c1nc(F)c(F)cc1F)c1coc(c2cn[nH]c2)n1
|
Cc1nn(C2CCS(=O)(=O)C2)c(C)c1C[NH+](C)Cc1csc(COc2ccc(F)cc2)n1
|
CC(C)[NH2+]CCCCOc1ccccc1C(=O)NN1c2ccccc2CCCC1C(=O)c1ccccc1
|
CCOc1cc(CN=C=O)cc(O)c1OC
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CCCCCCCC(C=O)CCC(C)=O
|
Nc1ncc(c2nc(OC3CCOCC3)cc(N3CCOCC3)n2)c(N)n1
|
Cc1cc(CC2(F)CCC[NH2+]C2)n(C)n1
|
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(F)ccc3n2C)cc1
|
C[NH2+]CC(O)COc1cccc(c2nc(N(C)c3cnc(OC)nc3)cc(c3c(C)noc3C)n2)c1
|
CCC(=S)Nc1c(Cl)cccc1COc1ccc(CC)cc1C
|
Cc1ccc(c2cc(C(F)(F)F)nn2c2ccc(S(=O)(=O)[N-]C(=O)OCC3CN([N+]([O-])=NOCN4C(=O)c5ccccc5C4=O)C3)cc2)cc1
|
Cn1nnc2nc(Nc3cnn(C4CCOCC4)c3)nc(NC3CCC([NH+]4CCOCC4)CC3)c21
|
Cc1cc(NC(C)(C)C)ncc1c1sc(C(=O)NC2(CO)CCC2)nc1C(=O)N1CCCC1C
|
C[NH2+]C1CCC(C(C)C)CC1Cc1c(F)cccc1Cl
|
C=CCCC1CCC(c2ccc(COc3ccc(OCCC)c(F)c3F)cc2)CO1
|
CC(C)c1oc2c(CO)c(=O)ccc-2c(O)c1c1ccc(Cl)cc1
|
Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)c2ccc(F)cc2)cc1
|
Cc1ccnc(Cl)c1NC1CSc2ccccc21
|
CC(CNCC(F)(F)F)[NH+](C)C
|
CCc1ccc(C(c2ccc(OC)cc2OC)N2CCC[NH2+]CC2)s1
|
CCN(CC)C(=O)c1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4F)c3C)CC2)cc1Cl
|
O=C(CCc1nc(c2ccc(I)cc2)no1)NCc1ccc2c(c1)OCO2
|
CCNS(=O)(=O)c1sc(NC(C)=O)nc1C
|
Cc1sc(C(=O)OCCc2ccc3c(c2)CCO3)cc1N
|
O=C1OCCC1=COCCOC=C1CCOC1=O
|
O=C(C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccc(Oc2ccccc2)c1
|
CS(=O)(=O)N1CCN(C(=O)C=Cc2cccc([N+](=O)[O-])c2)CC1
|
COc1cccc(c2cc(c3ccc(C(=O)NCCC(c4ccccc4)c4ccccc4)cc3)[nH]n2)c1
|
COc1ccc(N2CC[NH+](CCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1
|
Cc1ccc(CCNC(=O)CCCCl)cc1
|
O=C(Nc1ccc(C=Cc2ccc(NC(=O)C3CCCN3C(=O)c3cnc[nH]3)cc2)cc1)C1CCCN1C(=O)c1cnc[nH]1
|
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N3CC[NH+](Cc4c(Cl)cccc4Cl)CC3)o2)c1
|
CCc1cc(C)cc(C=NC2CCCCC2N=Cc2cc(C)cc(CC)c2O)c1O
|
CC([NH3+])C(c1ccc(Br)s1)N1CCCC1c1ccncc1
|
O=C([O-])c1ccc2c(c1c1ccccc1)C(Cl)c1ccccc1O2
|
CC([NH3+])=Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc3c2ncn3C)c(C)c1
|
Brc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccc3ccccc3c1-2
|
Cn1cc(CNC(=O)NCC(O)Cc2ccccc2)cn1
|
CCCOC(=O)c1ccc(C(=O)Nc2cc(Oc3ccc(O)c(NC(=O)c4ccc(CCC)c(C)c4)c3)ccc2O)cc1C
|
CCCn1c2ccc(Br)cc2nc1c1cc(I)ccc1N
|
CC(C)NC(=O)CNc1ccccc1OC(F)F
|
CC[NH2+]Cc1cccc(SC(C)C(=O)NCCC(C)C)c1
|
COc1ccc(NC(=O)Cn2cnc3c(oc4nc(C)c(C)cc43)c2=O)c(OC)c1
|
FC(F)SCc1ccc(CNc2ccccc2I)o1
|
COC(=O)c1cc2n[nH]c(I)c2cc1F
|
O=C(Nc1nc2n(n1)CCCC2)NC1CCCC(F)(F)C1
|
C[Si](C)(C)C=C(c1ccccc1)[Si](C)(C)O
|
CCC[NH2+]C(CCC)C1CCc2c(F)cccc21
|
C=CCCC1CCC(C2CCC(COC)CC2)CC1
|
O=C([O-])C(O)(C(=O)C=Cc1ccc(O)c(O)c1)C(O)C(O)C(O)(C(=O)[O-])C(=O)C=Cc1ccc(O)c(O)c1
|
Cc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)s1
|
COc1cccc(C(=O)Nc2nc3c(N)ncnc3n2C2OC(CO)C(O)C2O)c1
|
CCC[NH2+]CCN(C)c1ccccc1C
|
CC(C)(Cc1cn([Si](C)(C)C)c2ccccc12)[NH2+]CC(COc1ccccc1C#N)O[Si](C)(C)C
|
CCc1ccc2c(c1)OC1(C=C2)CC[NH+](CC(=O)[O-])CC1
|
CC1CCCC(CC[NH2+]C(C)c2cccc(O)c2)C1
|
CC(=NN1CCOC1)c1ccccc1
|
CC(=O)NCCc1ccc(C(=O)Cn2cnc3ccccc3c2=O)s1
|
CC[NH2+]C(c1ccncn1)c1ccnn1C
|
CCOC1=C(C)C(=O)C(=O)C(C)=C1
|
Clc1csc2ncnc(Br)c12
|
O=C([O-])C1CSCN1S(=O)(=O)c1ccccc1
|
CCc1ccc2sc(CBr)c([N+](=O)[O-])c2c1
|
CS(=O)(=O)CCC(=O)N1CC[NH+](CC(=O)[O-])CC1
|
Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc12
|
CC(O)CC1CCCCN1C(=O)C1Cc2ccccc2C1
|
CC(C)C1CCC(C)(C([NH3+])(C2(C)CCC(C(C)C)CC2O)C2(C)CCC(C(C)C)CC2O)C(O)C1
|
Cn1c(CCNC(=O)c2ccc(c3ccc(F)cc3)cc2)nnc1SCC[NH+]1CCOCC1
|
CC1CCCC1NC(=O)CO
|
CSC1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1[NH+]1CCCC1
|
COC1CN(c2ncc(N)c(C)c2Br)CC1OC
|
[NH3+]CC1(c2cc(F)c(Cl)c(F)c2F)CCCCC1
|
Cc1cccc(C)c1NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1
|
CCS(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1
|
CCCNc1ncnc(Nc2cccc(Cl)c2F)c1Br
|
Oc1ccc(Cl)cc1C[NH+]1CCCn2cccc2C1c1ccc(F)cc1
|
CCOCCCCNC(=[NH+]C)N1CC(C)CC(C)C1
|
CC(C)c1cc(=O)n(CC(=O)NCCn2cnccc2=O)cn1
|
COc1ccccc1c1c(C(N)=[NH+]O)cc(Cl)cc1c1ccc(O)cc1
|
O=C([O-])C(=O)C1(c2cnc(Cl)cn2)C=CC=N1
|
CCC(=O)c1cc2cccc(Cl)c2s1
|
CCc1cnc(C(CC)(C(=O)[O-])C(=O)[O-])c(Cl)n1
|
CCC[NH+](CCO)C1CCCCC1
|
CCOP(=O)([O-])n1ccnc1
|
Cc1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1C(=O)[O-]
|
C[NH+](Cc1ccccc1)C(CC(=O)[O-])Cc1cccs1
|
C[NH2+]C(C)(CC[NH+]1CCCc2ccccc2C1)C(=O)[O-]
|
CC(C)CCn1ccc(OCc2ccccc2)cc1=O
|
CC(C)(C)c1ccc2c(c1)NCC(C(=O)[O-])N2
|
COc1ccccc1N1CCN(c2ccc(NC(=O)C(C)Cl)cc2C(=O)NC(C)c2ccccc2)CC1
|
COC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OC)C1c1ccc(OC)c(Br)c1
|
Cc1ccc(C)c(C(C)(O)C2(C[NH3+])CC3CCC2C3)c1
|
COc1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc(Cl)c1OCC(N)=O
|
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