smiles
stringlengths 7
778
|
|---|
C[NH+]1CCN(C(=O)C2CCN(C(=O)CCCc3nc(c4cccs4)no3)CC2)CC1
|
N#Cc1cccc(NCCC(F)F)n1
|
CCCCCCCCCc1c2nc(c(c3c4nc(c(c5cc(CCCC)cc(CCCC)c5)c5ccc(cc6nc(c(c7cc(CCCC)cc(CCCC)c7)c7ccc3[nH]7)C=C6)[nH]5)C=C4)c3ccc([nH]3)c(CCCCCCCCC)c3nc(c(c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
|
Cc1cc(F)ccc1C(=O)N1CC[NH2+]CC1
|
CN(C)C(=O)C(CNC(=O)OC(C)(C)C)c1ccc(Oc2ccccc2CCC(=O)NOCc2ccccc2)cc1
|
CC[NH+](Cc1cc(OC)cc(OC)c1)C(C)CC(=O)[O-]
|
[NH3+]C1(CC(=O)c2cscn2)CCCCC1
|
CCNC(=O)C(Nc1c(C)cccc1CC)=C(O)[NH2+]CC
|
Cn1ccnc(N2CCCC(NC(=O)NC3CCc4cn[nH]c4C3)C2)c1=O
|
CN(C)c1ccccc1NCCCCC(N)=O
|
CC1(C[NH2+]Cc2ccc(I)cc2)CCCCC1
|
O=C(c1cn[nH]c1c1ccc(Cl)cc1)N1CCC(CO)CC1
|
O=C([O-])CCc1ccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1
|
N#Cc1csc(NC(=O)Cn2c(=O)ccc3cc(C(F)(F)F)ccc32)c1c1ncco1
|
O=C(Nc1cccc(Cl)c1)c1cc(NCc2ccc(F)cc2)ncn1
|
CCCCCCC(=O)Oc1ccc(c2cnc(c3ccc(CCCCCC)cc3)s2)cc1
|
CCc1cnc(CNC(C#N)CC)o1
|
CCOC(=O)c1ccc(NCC(=O)N2CCCCC2CC)cc1
|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCC(=O)NC(Cc1ccccc1)C(N)=O
|
COC(=O)C(=O)Nc1ccc(F)cc1I
|
CC(C)NS(=O)(=O)C1CCN(Cc2nc(C3CC3)cs2)C1
|
COc1cc(C)nc(NCC2CC[NH+](C)C2)n1
|
CCN1c2ccccc2N(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1C
|
CC(C)(C)C1=CC(CC2C=CC(C(C)(C)C)=C2)C=C1
|
O=C1OC(=O)c2cc(Br)cc3c([N+](=O)[O-])ccc1c23
|
CC(=O)c1cccc(S(=O)(=O)NCC#Cc2ccccc2Cl)c1
|
CCC[NH2+]Cc1ccc(COc2ccc(C)cc2C)s1
|
COc1ccc(n2nc(c3ccc(OC)cc3OC)cc2C(=O)NCc2ccccc2)cc1
|
O=C(CSCc1ccccc1)Nc1ccc(O)cc1
|
COCc1nc(NCCNC(=O)C(C)C)c2c(C)nn(c3ccc(C)cc3)c2n1
|
COc1ccc2oc(c3ccc(C(O)CCCCC(=O)NO)cc3)cc2c1
|
COP(=O)(CCCn1c(C)cc(=O)n(CCCP(=O)(OC)OC)c1=O)OC
|
C=CCOc1c(I)cc(C=C2SC(Nc3ccc(OCC)cc3)=[NH+]C2=O)cc1OCC
|
CC(=O)N1Cc2cccnc2C=Cc2ccccc21
|
C=C(NC=C(C(=N)N([NH3+])C=CC(=C)C1CC1)c1cnc(OC)c(C(=O)[O-])c1)Nc1cc(OC)cc(OC)c1
|
CC1CC([NH+]2CCCC(C[NH3+])C2)CCO1
|
CC[NH+]1CCCC12CC[NH+](CCc1ccccc1)CC2
|
O=C([O-])C1=CS(=O)C2C(=Cc3cc4oc5c(n4n3)CCOC5)C[NH+]12
|
CC(CNS(=O)(=O)c1cccc2ccccc12)[NH+]1CCCC1
|
CC(C)C[NH2+]CC1(c2ccc(Cl)c(Cl)c2)CCCC1C
|
C[NH+](Cc1cccc([N+](=O)[O-])c1C(=O)[O-])C1CC1
|
Cc1ccc(NC(=O)C2CC(C)CCC2C(C)C)c(C)c1
|
O=C(Cc1ccc(C(F)(F)F)cc1)N1C2CCC1CC(Oc1cccnc1)C2
|
Cc1cnccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C
|
Cc1ccc(S(=O)(=O)Nc2cncc(c3ccc(c4ccc5c(c4)CN(C)C5=O)s3)c2)cc1
|
COc1ccc(C(=O)NC2CCC(SC)CC2)cc1N
|
[NH3+]C(CC(=O)OCc1ccccc1)c1nc2sccc2c(=O)o1
|
CCOC(=O)C(=CC#Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)cc1)CC(=O)[O-]
|
CN(c1c(F)cccc1C(=O)[O-])C1CC[NH+](C)CC1
|
CCS(=O)(=O)Nc1ccc(OC(F)F)cc1C
|
CC1(C)C(CC(Cl)(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
|
C#CC12CCC(C(C)C)C(C)(CCCNC(=O)OC(C)(C)C)C1=CC(=O)C(C#N)C2
|
CCOC(=O)C([NH3+])CSCc1ccc(Br)s1
|
CCc1onc(C)c1C1CCCN1C(=O)NCc1ccccc1
|
CC(=O)N(CCC(=O)NC(C)c1ccccc1)c1cccc(Cl)c1
|
Cc1onc(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Br)c1COc1cccc(F)c1
|
CC(C)C(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCC[NH2+]1)C(=O)[O-]
|
COc1ccccc1C=CC(=O)N(C)C1(C#N)CCC1
|
O=C(Nc1ccc(F)c(Br)c1)c1cc(Br)cc(Br)c1
|
COc1ccc(CCCCN[O-])cc1
|
CC(C)Oc1cc2c(cc1OC(C)C)OC(C)(C)C=C2
|
CCOc1ccc(C)cc1C(C)NC(=O)C(C#N)=CNc1cccc(Cl)c1Cl
|
Cc1cccc2c(C=O)c(c3cc(Cl)sc3Cl)[nH]c12
|
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
|
CNC(=S)C1(c2cccc(C#N)c2)CCCCS1
|
O=CC1CCN(C(=O)CCC2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1
|
COc1ccccc1NC(=O)NC1c2c(cc3c(c2OC)OCO3)CC[NH+]1C
|
O=C1NC(=O)C2C1CC=C1C2CC2C(=O)N(c3cccc(Cl)c3)C(=O)C2(c2ccccc2)C1c1ccc(OCc2ccccc2)cc1O
|
CC1(C)CN(c2ccc(C=CC(=O)[O-])cc2)CC(C)(C)O1
|
O=C(NCC1(C2CC2)CC1)Nc1cccc(C(=O)[O-])c1O
|
CCOC(=O)CCCS(=O)(=O)N(C)CCc1ccccn1
|
COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C)cc3C)C2c2cccc(Cl)c2Cl)c1
|
CNC(=O)n1ncc(C#N)c1N
|
CC[NH2+]CC(C)CSc1ccc2ccccc2c1
|
CC(=O)C(c1ccc(CCCO)cc1)(c1ccnc(C)c1)c1ccccc1C
|
Cc1nn2c(CN3CCS(=O)(=O)C4COCCC43)c(C(C)C)nc2s1
|
COc1ccccc1c1cc(Nc2cccnc2)n2ncc(Br)c2n1
|
CC12CCC(C(=O)[O-])(C(Br)C1=O)C2(C)C
|
CCCNc1cc(C)nc(c2cncn2C(C)C)n1
|
CCOC(=O)c1c[nH]n2c(=O)cc(C[NH+](C)C3CCCc4ccccc43)nc12
|
[O-][n+]1ccccc1SCCOc1ccccc1F
|
Nc1cc(=O)nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)[nH]1
|
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)C(=O)N2CC[NH+](C)CC2)cc1
|
CCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(=O)[O-]
|
CCC(C)C(=O)N(CC(N)=O)Cc1ccc(N)cc1
|
CC(C)N(CCC#N)S(=O)(=O)c1ccc(C#CCO)cc1
|
CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2cc(OC)cc(OC)c2)ccc1N1CCC(C)CC1
|
CCn1cc(C2OCCCC2NC(=O)CC(C)C2CCCCC2)cn1
|
Cc1cc(C)c(CN(C)C(=O)c2cc(C3CC[NH2+]CC3)cc3c(C(C)C)c[nH]c23)c(=O)[nH]1
|
CCn1c(Sc2cc(C(=O)[O-])cc(Cl)n2)n[nH]c1=O
|
CN1CC(CC[NH+]2CCC2)Oc2ncc(Cl)cc2C1=S
|
Cc1ocnc1CNC(=O)NC1CCC2CCCCC2C1
|
CC=CC(=O)NCC(O)c1ccc(Cl)cc1
|
C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
|
CCc1cc(OC)c(OC)c(C([NH3+])CO)c1Cl
|
CN(Cc1ccco1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]
|
N#Cc1ccc(N=Cc2ccc(C=Nc3ccc(C#N)c(C#N)c3)cc2)cc1C#N
|
CC(C)Oc1ccc(C(=O)n2nc(Nc3cccc(N4CCCCC4)c3)nc2N)cc1
|
CCCCCc1ccc2cc(c3ccc(N=C=S)cc3)ccc2c1
|
Cc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(N2CCOCC2)n1
|
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