smiles
stringlengths 7
778
|
|---|
CCC(F)(F)c1ccc(CC(=O)Nc2ccc(c3nccnc3NC(C)c3ccccc3)cc2)cc1
|
O=C(NCC1COCCO1)c1ccc(COc2ccc3ccccc3c2)o1
|
CC(NC(=O)c1ccccc1)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1
|
CC(CC(N)=O)[NH+]=C(N)C1CCCCC1
|
CC(C)[NH+](Cc1cccs1)C1CCC([NH3+])C1
|
C[NH2+]C(c1cccc(Cl)c1Cl)c1c(C)cccc1C
|
CC1=C(c2ccco2)CN(C(=O)N2CCOCC2)CC1
|
Cc1cc(CNC(=O)CC2CCc3ccccc32)ccc1F
|
C[N+]1=CN(c2ncccn2)C=CC1
|
c1ccc2c(c1)NCC2CC[NH2+]C(C1CC1)C1CC1
|
C=CS(=O)(=O)c1cccc(C(C)(C)C)c1
|
COC(C)(CNC(=O)C(=O)NCc1ccccc1)c1cccc(Cl)c1
|
CCCCCC#CC#CCCCCCCCCCCC
|
COc1cc(C(=S)N2CCC(C)CC2)cc(I)c1OCC(=O)Nc1ccccc1C
|
NC(=S)c1nc2nc3cc4c(cc3n2[nH]c1=O)OCCO4
|
COc1ccc(C)cc1CC([NH3+])c1cc(C)cc(C)c1
|
CCC[NH2+]C(C)c1nnc(N(C)C2CCCCC2)o1
|
COCCN(CC(=O)[O-])c1ccc(C#N)cc1[N+](=O)[O-]
|
CCOc1ccccc1NC(=O)NCCNc1cc(n2ccc(C)n2)ncn1
|
CCCCN1C(=O)c2ccc(C(=O)OCC(N)=O)cc2C1=O
|
CCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
|
[NH3+]C1CCCC(C(=O)NCc2ncc[nH]2)C1
|
CC12CCC3C(CCC4CCCCC43C)C1CC(Oc1ccc(S(C)(=O)=O)cc1)C2
|
CC(C)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-]
|
CCC(C)C(C)[NH2+]CC1Cc2ccccc21
|
O=C(NC1COCC1O)c1ccc2cnc(NC3CCC3)nc2c1
|
O=Cc1ccc(Oc2cccc3ccccc23)cc1Br
|
Cc1cc(OCc2ccnc(C#N)c2)ccc1C#CC[NH3+]
|
CCC1OCCC1C[NH2+]Cc1ccc2c(c1)OCCCO2
|
COc1c(C)cc(C)cc1C1(C)CCO1
|
CC(C)OC(=O)C(C)NC(=O)CCCCOc1cc(c2nc(C(=O)NCc3ccc(F)cc3F)c(C(C)[NH3+])o2)ccc1OC(F)F
|
C#CCCC([NH3+])c1cc(C)nc2ccccc12
|
COCc1cc2c3ccnc(C)c3c(=O)n(C)c2cc1OCC(C)CC(C)NC(=O)[O-]
|
CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc2c(cc1Br)OCCO2
|
C[NH2+]CCC[NH+](C)C(C)CC(C)C
|
O=C([O-])c1ccc(SCC(=O)c2ccccc2)nc1
|
CC(C)Cc1nc(N)nc(N(C)CC2CCC2)n1
|
O=C(NCc1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
|
COC(=O)C1CC(C)=CCC1(C(=O)OCc1ccccc1)S(=O)c1ccc(C)cc1
|
CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)C[NH+](C)C
|
O=Cc1c[nH+]c(c2occc2Br)[nH]1
|
COc1cc(N([O-])[O-])c(OC)c2c(=O)[nH]c(=O)[nH]c12
|
CCC1CN(CC(=O)N(CC)C2CC2)C(CC)C[NH2+]1
|
O=C(CCl)n1c(=O)c2ccccc2c2nc3c(Br)cc(Br)cc3c(=O)n21
|
CC(=O)N1CCC(n2cc(c3cnc(N)c(c4nncn4c4cccc(Cl)c4F)c3)cn2)CC1
|
CCCC1CCCCC1CCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1
|
CC(=O)OC1CCC2(C)C(CCC3(C)C4CC5=C(C(=O)C=C(C)C5=O)C4(C)CCC32)C1(C)C
|
CCc1cc2c(SC3CCOCC3)nc(Cl)nc2s1
|
CC1(O)CC(C(=O)N2CCc3ccc(F)c(F)c3C2)C1
|
O=C(NOCc1ccccc1)c1cccnc1N1CCOCC1
|
CCCN(C(=O)CCC(=O)c1ccc(C)s1)C1CCS(=O)(=O)C1
|
COc1ccc2c(c1)C(=O)C(=O)N2CCC(=O)N(C)C
|
O=C(CSc1ccc(NC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)NC(=O)c2ccccc2)cc1)Nc1ccc(C(=O)[O-])cc1
|
[NH3+]CCCC(=O)NCCc1nc(C2CCCCC2)cs1
|
COc1cc2nc(C[NH+]3CCOCC3)n(CC(=O)Nc3cccc(C)c3C)c(=O)c2cc1OC
|
Cc1cc(C)cc(N2C(=O)C(O)=C(c3cccs3)C2c2ccc([N+](=O)[O-])cc2)c1
|
CCOC(=O)c1n[nH]c(CCc2cccc(C)c2)n1
|
COC(=O)c1ccc(Cl)cc1NC(=O)C(F)(F)C(F)(F)F
|
c1ccc(c2cc(c3ccccc3)nc(c3cccc(c4cc(c5ccccc5)c(c5cccc(c6nc(c7ccccc7)cc(c7ccccc7)n6)c5)c(c5ccccc5)c4)c3)n2)cc1
|
O=C([O-])C1CC[NH+](Cc2cccc3c2CCOC3)C2CCCC12
|
CCc1ccc2c(SC)c(O)sc2c1
|
CCC(CC)(C[NH2+]CC(O)COCCCC(C)C)SC
|
CCC[NH2+]Cc1ccc(OCCC(C)(C)C#N)c(Cl)c1
|
C=C(C)Cn1c(CCOc2ccccc2)nc2c(N)cccc21
|
NS(=O)(=O)c1cccc(COc2ccc(Cl)c(c3ncnc4c(Cl)cccc43)c2)c1
|
CCn1cc(O)n(CC(C)(C)CCC(S)CCC(S)CCC(C)(C)Cn2c(O)cn(CC)c2=S)c1=S
|
CCCc1cc(OCC=C(Cl)Cl)cc(CCC)c1OCCCCCON=C(C)C
|
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCC)CCCCCCCCCC(=O)[O-]
|
CC1COC(c2ccc(c3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3F)c(F)c2)OC1
|
CCc1ccccc1CNC(=O)c1cc(Br)ccc1N
|
Cc1cccc(c2nc(c3ccccc3)nc(c3ccccc3)n2)c1
|
CC(OC=O)C(CO)OC(OC1C(O)OC(CO)C(O)C1O)C(O)CO
|
O=C(Nc1cccc2ccccc12)c1ccc(Oc2ccccc2)cc1
|
CCOc1ccc2ccccc2c1C(=O)NCC1(O)CCOCC1
|
CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4c3ccc4ccccc4c3)ccc21
|
O=c1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(c2ccc([N+](=O)[O-])cc2)[nH]n1c1ccc2c(c1)OCO2
|
CCC(C)NC(=O)Cn1cnc2ncccc2c1=O
|
CCCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3cc(C)c(C)cc3Br)C(C)C)CC2)c1C
|
CCOC(=O)C12CCCc3ccccc3C1(O)N(S(=O)(=O)c1ccc(OC)cc1)N=N2
|
C=CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
|
NS(=O)(=O)C1CC[NH+](C2CN(C(=O)CI)C2)C(I)C1
|
COc1cc(C)c(CCCCC(C)(C)[NH3+])cc1Cl
|
CC(C)(C)c1cn2c([nH+]1)CCC(NS(=O)(=O)c1cnn3c1OCCC3)C2
|
COc1cccnc1c1ccc(c2ccccc2)cc1
|
COc1cc(C)nc(n2ncc(C(=O)CC[NH+]3CCN(c4ccccc4C)CC3)c2C)n1
|
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)Nc1ccccc1Cl
|
O=C(C[NH+]1CCN(Cc2cccc(Cl)c2)CC1)Nc1nc(c2ccccc2)cs1
|
COc1ccc(c2nc(c3ccc(N(C)C)cc3)no2)c(C)c1
|
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1CC[NH+](C2CCC2)CC1
|
CC(=O)CCSc1nc2sc(C)c(c3ccccc3)c2c(=O)[nH]1
|
CNc1ccc(CSc2cnn(C)c2)cc1[N+](=O)[O-]
|
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1
|
Cc1ccc(Nc2ncc(C(=O)N(CCc3ccccc3F)CC(=O)[O-])c(C)n2)cc1
|
CCCNc1cc(F)c(Cl)cc1N
|
CC(C#N)(NC(=O)CNc1ccc(C#N)c(C(F)(F)F)c1)C1CC1
|
CCCn1ccnc(N2CCCC2C(=O)[O-])c1=O
|
O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NCCc1ccc(Cl)cc1
|
Cc1ccc(C(C)Nc2nc3cc(Cl)ccc3s2)cc1F
|
C[NH+]1CCC(C2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C2)CC1
|
N#Cc1ccc(CO)c(C(F)F)c1C(=O)[O-]
|
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