smiles
stringlengths 7
778
|
|---|
CCN(CC)C(=O)c1cccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCCC4)c3)CC2)C(C)C)c1C
|
COCC([NH+]=CN1CCc2cc(OC)ccc2C1Cl)C(C)(C)C
|
CC(C)(C)NC(=O)CN(CCC[NH3+])c1ccc(F)cc1
|
O=C=NC1(c2cccc3c2OCCC3)CCC1
|
CC1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1C
|
O=C(C[NH+]1CCN(CC=Cc2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1
|
Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc(c2ccccn2)n1
|
Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1
|
C=CCN(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1Cl)c1ccc(C)cc1
|
COC(=O)n1c(C(=O)NC2C(=O)N(CC(=O)N(c3ccccc3)C(C)C)c3ccccc3N(c3ccccc3)C2=O)cc2ccccc21
|
CC(NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
|
CCN(CC1CCC[NH2+]1)C(=O)Cc1noc2ccccc12
|
Cc1nccn1CC[NH2+]CC1CCCCC1CCl
|
CC(CO)Cc1ccc(C(C)C)cc1
|
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(Br)c3)C2c2cccc(OC)c2)cc1
|
Cc1nn(C)c(OCCOC(C)(C)C)c1C(N)=[NH2+]
|
O=C(Cc1ccccc1F)Nc1cccc2c1NCCC2
|
Cc1cccc(OCC(=O)Nc2c(C)nn(Cc3cccc(Oc4ccccc4)c3)c2C)c1
|
Cc1noc(C(C)Sc2nnc(SCC(N)=O)s2)n1
|
CCOc1cc(C[NH+]2CCCC2c2cc(C)no2)ccc1OCC(N)=O
|
COc1cc(C)c(N)cc1S(=O)(=O)NCc1cnc(C)s1
|
COC(=O)C1(C)CC=C(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ccnn23)CC1
|
Cc1ccc(C[NH3+])c(N(C)CCCCCO)c1
|
c1ccc(c2ccc(n3c4ccccc4c4cc(c5nc(c6ccccc6)nc6c7ccccc7sc56)ccc43)cc2)cc1
|
CC1(C(=O)NC2CCCC(Nc3nc(c4c[nH]c5ncc(Cl)cc54)ncc3F)C2)COC1
|
CCN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccccc1
|
CS(=O)(=O)CCOC(=O)CNC(=O)n1cc(F)c(=O)[nH]c1=O
|
CC1CC(C)C([NH+]2CCCC2)C1
|
CC(C)(C)OC(=O)NC1(c2ccc(S(C)(=O)=O)o2)CC1
|
O=C1CCN(c2ncc(Cl)cc2F)CCN1
|
C=C(C)COc1cccc(CC2CCCC[NH2+]2)c1Cl
|
COc1ccc(C(C)(C)C)cc1C([O-])=C1C(=O)C(=O)N(Cc2cc(C)ccc2C)C1c1ccc(C(C)(C)C)cc1
|
COc1ccc(Br)cc1NCc1cc(C)c(C)cc1C
|
Cn1c(=O)n(C)c2cc(C3(O)CCC4(CC3)OCCO4)ccc21
|
Ic1cc(I)cc(c2cccc3c2ccc2c(c4cc(I)cc(I)c4)cccc23)c1
|
O=C(CCC1CCCC1)NCC12CCCC=C1N(CC1CC1)C(=O)CC2
|
COCCNc1cnc(C(=O)Nc2c(C)cccc2C)cn1
|
Cc1cccc(C)c1Nc1ccc(C(=O)[O-])cc1F
|
OC1(Cc2ccc(F)c(F)c2)CCCC(C(F)(F)F)C1
|
O=C([O-])CCCC(NC(=O)c1cc(Cl)nnc1Cl)C(=O)[O-]
|
CS(=O)(=O)c1ccc(c2cc(C(F)F)nn2c2cccc(C(F)(F)F)c2)cc1F
|
CCCC(O)c1cc(C(F)(F)F)on1
|
CC1=CC[NH+](CCNc2ncccc2[N+](=O)[O-])CC1
|
CCN(C(=O)NC1C=CC(C(=O)[O-])C1)C1CC[NH2+]CC1
|
O=C1CCCN1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
|
CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(c2ccc(N3CCCC3)cc2)cc1
|
CC12CCC(=O)C=C1CCC2c1cn(CO)nn1
|
O=C1Cc2ccccc2C(c2ccccc2NS(=O)(=O)c2ccccc2)O1
|
O=C([O-])c1cc(NS(=O)[O-])ccc1N1CCOCC1
|
CCN1C(=O)C(=Cc2cc(C)n(c3sc4c(c3C#N)CCCC4)c2C)C(=O)NC1=S
|
CC1(C)COc2cc(CC=O)ccc21
|
[NH3+]CCNC(=O)CCOc1cccc(Cl)c1
|
O=C1CN(c2ccccc2)C1=O
|
CCOc1cc(C(=O)NCc2ccc(C)cc2)cc(OCC)c1OCC
|
CC(C)[NH+]1CC=C(c2c[nH]c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc23)CC1
|
Cc1ccccc1CN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NC1CCCC1
|
CC(=O)C1(CC(C)c2ccccc2)C=CCN2C(=O)C(Oc3ccccc3)C2C1O
|
CS(=O)(=O)CC(=O)N1CCCC12CCCCC2
|
Cc1ccc(Br)cc1NC1CC(C)[NH+](C)C1
|
CCCN(CC[NH+](C)C)c1c(C(N)=[NH+]O)c(C)nn1C
|
O=C(Nc1ccccc1F)OCc1ccccc1Br
|
COC(=O)CCc1ccc(C=CC(=O)NCc2ccccc2Cl)o1
|
Cc1ccc2c(c1)N1C(=O)c3ccccc3C1C1C(=O)CC(C)(C)C=C1N2
|
c1ccc(N(c2cnc(c3ccc4c(c3)c3ccccc3n4c3ccccc3)nc2)c2cccc3c2oc2ccccc23)cc1
|
Cc1cccc([Si]2(c3cccc(C)c3)c3cc(C)ccc3-c3cc(C)oc3S2(=O)=O)c1
|
BNPOC(=O)NC(=NC1CC[NH+](CC2=C(C(=O)OPNB)N3C(=O)C(C(C)O[Si](CC)(CC)CC)C3C2C)C1)NC(=O)OPNB
|
C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(c3ncc(C(C)C)o3)cc2)ccc1F
|
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(C(=O)[O-])cc1
|
O=C1CCC(c2ccc3oc(N4CCS(=O)CC4)nc3c2)=NN1
|
C[NH+](C)C1CCN(C(=O)NC2CCCC2(C)C(=O)[O-])CC1
|
O=C1OC(O)(c2c(F)cccc2F)C(Cc2ccccc2)=C1C1=CCOO1
|
Cc1cc(C)c2c(c1)C([NH+]1CCCC(C)C1)C(O)CO2
|
COc1ccc(C2c3cc(Br)cc(C(=O)[O-])c3NC(c3cccc(F)c3)C2C)cc1OC
|
CC(Cn1ccc(=O)[nH]c1=S)[NH+]1CCCC1
|
CC(=O)CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O
|
O=C([O-])C1=C(C[NH+]2CCCCC2)NC(c2ncc(F)cc2F)=[NH+]C1c1ccc(F)cc1Cl
|
Cc1ccc(C(CNS(=O)(=O)NC(C)C)c2c[nH]c3ccccc23)cc1
|
CCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1C)C(=O)c1cccc(C(F)(F)F)c1
|
CCS(=O)(=O)CCOCCc1nc(c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)ncnc3cc2OC)cs1
|
Cc1ccc(n2ccnc2SCC(=O)NC(C)(C)C)c(C)c1
|
NC(=O)c1ccc2nn(c3cccnc3)cc2c1
|
CCn1cc(C(=O)[O-])c2cc(F)ccc21
|
CC(O)CC1Cc2ccccc2NC1=O
|
Cc1ccccc1C(=O)CN1C(=O)C(NC(=O)Nc2ccc(C(=O)[O-])cc2)CN(C(=O)C(C)(C)C)c2ccccc21
|
COC(=O)CCc1ccc2[nH]cc(CC[NH+](C)C)c2c1
|
C1CC2(C1)CC([NH+]1CCCC3(C1)OCCO3)CCO2
|
COCc1cccc(NC(=O)CSCc2c(C)noc2C)c1
|
CC=C1CC(C(=O)OC)(C(=O)OC)CC1=C(C)c1ccccc1C(=O)c1ccccc1
|
Cc1ccc2oc(C[NH2+]CC3CC3)nc2c1
|
C=CCOc1ccccc1c1cc(NCC)nc(c2ccc(O)c(OC)c2)c1
|
Cc1ccc(c2noc(C(C)NC(=O)CC3COCC[NH2+]3)n2)cc1F
|
CCc1ccc2c(c1)CC(c1cc(C)ccc1OC)N2
|
COc1ccc(O)c(c2cccc(Cl)c2)c1
|
CCC(CC)[NH+](CCOC)Cc1sccc1C#CCO
|
CCc1cc(OCCCOc2ccc(C)cc2OC)ccc1Cl
|
CCOc1ccc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)cc1
|
C=C=CC=Cc1c(Br)ccc(OCCCC)c1C
|
CCCC(=O)c1ccc2c(c1)N(CCC[NH+]1CCN(C)CC1)c1ccccc1S2
|
CC1CN(S(=O)(=O)N2CC3CCCC3(C(=O)[O-])C2)CC(C)O1
|
Cc1cc(C)c(NC(=O)C(=O)Nn2c(C(=O)Nc3cc(Cl)cc(Cl)c3)cc3cc(Br)ccc32)c(C)c1
|
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