smiles
stringlengths 7
778
|
|---|
Cc1cnc(C(C)[NH2+]CC2CC=CCC2)s1
|
Cc1cc(C)c(C(Br)CC(C)C)c(C)c1
|
FCCCCC1CCC(C2CCC(C3CCC(CCCF)CC3)CC2)CC1
|
O=C(NCc1nc(c2ccc(Cl)cc2)cs1)c1ccc(F)cc1
|
CC(C)(C)C1C=CC(CCC2C=CC=CC2)=CC1
|
Cc1cc(C=NNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1c1ccccc1C(F)(F)F
|
Cc1nc(n2nc(Cc3ccccc3F)c3cc(F)ccc32)nc2c1C(C)(C)C(=O)N2
|
CC1(C)c2ccccc2-c2c1c1c(c3cc4c(cc23)Cc2ccccc2C4)c2ccccc2n1c1ccc2sc3ccccc3c2c1
|
COc1ccc(C(=O)N=c2ccn([O-])cc2C)c2cc(S(C)(=O)=O)oc12
|
OCCN1CC[NH+](Cc2ccc3ccccc3c2)CC1
|
Nc1sc2c(c1C[NH3+])CCCCC2
|
CCOC(=O)Cn1c2ccccc2nc1c1cccc(C)c1
|
O=S(=O)(Nc1cccc(Cl)c1)c1ccc(CO)c(Cl)c1
|
CCCCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1
|
CCc1ccc(NC(C)C(OC)OC)cc1C
|
O=C(NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1
|
O=C([O-])c1cc(c2cc(Cl)c(Cl)c(Cl)c2)ncc1C(F)(F)F
|
CCCCN(CCOc1ccc(Br)cc1)CC1CCC[NH2+]1
|
C[NH2+]C(C1=CCCCCCC1)c1ccc(SC)cc1
|
CC(C)C[NH2+]Cc1nnc2scc(C(C)C)n12
|
C[NH2+]Cc1nc(C(C)C)c(C)s1
|
Oc1ccc(Cl)cc1CN1CC[NH+](C2CCCC2)CC1
|
Cc1ccc(F)c(C(=O)Nc2cccc(CCl)c2)c1F
|
CCNc1cccc(COc2cc(CCC(=O)[O-])cc(OCc3cccc(NCC)c3C)c2)c1C
|
COCCn1c(C[NH3+])nnc1c1cc(F)c(Cl)cc1F
|
Cc1ccc2c(=O)n(C(C)C(N)=O)ccc2c1N=O
|
C[NH2+]Cc1cc(S(=O)(=O)Nc2nccs2)cc(C)c1F
|
CCOC(=O)C1CCN(C(=O)NCC2CCS(=O)(=O)C2)CC1
|
COc1ccc(C(CF)CC[NH3+])cc1
|
[NH3+]CCC[NH+](CCC[NH3+])Cc1ccc(c2cnc(NC(=O)Nc3cc(F)c(F)cc3F)[nH]c2=O)cc1F
|
CCCCCCCCCCCCS(=O)(=O)N=C(N)CCCCC
|
CN(Cc1nc(c2ccc(Cl)cc2)no1)C(=O)CSc1ccccc1
|
Cc1cc(COc2ccc(C(=O)NC3CN(C(=O)OC(C)(C)C)CC34NC(=O)NC4=O)cc2)c2ccccc2n1
|
CCCc1cc(NC)nc(c2cn(C)nc2C)n1
|
N#Cc1ccc(N2CCC3C[NH2+]CC3C2)c([N+](=O)[O-])c1
|
CC1C(O)C(COP(=O)([O-])NCCc2c[nH]c3ccccc23)OC1(C#N)c1ccc2c(N)ncnn12
|
CC(=O)NC1Cc2cc(Br)c(N(C)C(C)=O)c([N+](=O)[O-])c2C1
|
Cc1nc2scc(CC(=O)N3CCCCC3)n2c(=O)c1c1cc(C)n(c2ccc(F)cc2)n1
|
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1OC
|
O=[N+]([O-])c1ccccc1c1oncc1Br
|
O=C(NCC1CCN(c2cccnc2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
|
CC[NH+](CC)CCOC(=O)C1Sc2ccc(OC)c(OC)c2-c2ccccc21
|
CCn1nnc2c(N3CCOCC3)nc(c3ccc(N(CCc4ccc(N)cc4)C(=O)[O-])cc3)nc21
|
Cc1nc(C(O)C[NH2+]C(C)CCc2ccc(NC=O)cc2)cs1
|
C=C1CN(S(=O)(=O)c2ccccc2)CCCCCCCCN2C(=O)C(C)(C1)c1ccccc12
|
Cc1ccc(CN(Cc2ccccn2)C(=S)NC2CCCCCCC2)cc1
|
Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccc(C(C)C)cc2)CC1
|
CC(C)([NH3+])C1CCC(=O)NC1=O
|
NNC(C1=CCCCO1)c1cncs1
|
CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1c(C)n[nH]c1C
|
CCn1c2cccc(F)c2nc1c1cc(F)c(F)cc1N
|
N#Cc1ccc(C=CC(=O)c2cc(F)c(Cl)cc2Cl)cc1
|
CCC(=O)Nc1ccc(F)c(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4c(F)cccc4F)ccc3C)CC2)c1
|
COc1ccc(c2cn3ccc(C)cc3[nH+]2)cc1NC(=O)C1(c2ccccc2OC)CC1
|
CC(C)[NH+]1CCC(C(C[NH3+])c2c[nH]c3ccc(F)cc23)CC1
|
CCCCC(CCCCCCCCC1c2ccc(O)cc2SCC1(C)c1ccc(O)cc1)C(=O)[O-]
|
Cc1cc[n+](C(C#N)=C(S)SCc2cccc3ccccc23)cc1
|
CC(C)C(=O)Nc1ccc(F)c(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)C(C)C)c1
|
Cc1cncc(C(=O)N2CC(COc3ccccc3)C(C3CCN(C(=O)C(C)C)CC3)C2)c1
|
CC(=O)CC(C(=O)OCC(=O)c1cc(F)ccc1F)C(C)(C)C
|
Cc1ccc(c2noc(C(C)(C)C)c2C(=O)[O-])cc1C
|
N#Cc1ccc2c(c1)c(c1cncc(c3cccc(Cl)c3)c1)cn2CC[NH+]1CCOCC1
|
Cc1cc(C[NH+]2CCN(Cc3ccc(C(N)=O)cc3)CC2)no1
|
COc1cccc(c2ncc(C(=O)[O-])c(NC(C)C)n2)c1
|
[C-]#[N+]CCNC(=O)c1ccccc1c1ccc(C)cc1
|
O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
|
CCc1ccccc1NS(=O)(=O)c1ccc([O-])cc1
|
Cc1ccsc1C(=O)NCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1
|
CC1CC1C(C)Nc1cccc(F)c1
|
CC(C)(C)c1ccc(NC(=O)OCC[NH3+])cc1
|
COc1cc(C(=O)N2CCCc3cccc(OC)c32)cc(OC)c1OCC(N)=O
|
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1c1nc3ccccc3s1)CCCC2
|
CCCc1nnc(NC(=O)C2CC3CCCCC3[NH2+]2)s1
|
CN(CC(C)(C)O)C(=O)Cn1cccc(C(F)(F)F)c1=O
|
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(c2cnc(C3(O)CCC(C(=O)NC4CCCCC4)CC3)s2)c1
|
[NH3+]CC1C=NC(c2cccs2)=[NH+]C1=O
|
Cn1nc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1c1ccccc1
|
COc1cc(NS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc(OC)c1
|
COC1=NCCN(C(=O)OC(C)(C)C)C1CC(=O)[O-]
|
CCOc1ccccc1n1nnnc1SCc1ccc(F)cc1Cl
|
CCn1ccnc1n1nc(C)c(N)c1C
|
CC1CC(C)CC(NC(C)C(F)F)C1
|
COc1ccc(Oc2ccc(Br)cc2)c(Br)c1Br
|
Cc1ccc(C)c(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1
|
CCCN(CC1CC1)C1CC(CC)CCC1C#N
|
CCCCCCCCCS(=O)Cc1cc(=O)c(OCCC)c[nH]1
|
CC(=O)C(=O)NCc1cc(C)nn1C
|
COc1ccc(CC(=O)NC2CCN(C(=O)NCCC(C)C)CC2)cc1OC
|
CSC1CCN(c2cccc(F)c2CC[NH3+])CC1
|
CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCCc2ccc(Cl)cc2)cc1
|
CCCCCCCCCCCCCC=CC(OC(=O)CCCCCCCCCCCCCCC)C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
|
O=C(C=Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1ccc(Cl)cc1
|
Cc1nn(C(c2ccccc2)C(O)C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-]
|
CCNc1cncc(Nc2ccc3cc(Br)ccc3c2)n1
|
CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=[NH+]c1cccnc1
|
CN(CCC#N)c1ccc(CO)cc1C#N
|
Cc1cc(C2CN(C)C(=O)C2C(=O)Nc2cccc(F)c2F)cnc1Cl
|
[NH3+]CCNOP(=O)([O-])OP(=O)([O-])[O-]
|
CCC1CC([NH2+]CCOC)(c2nc(C(C)C)cs2)CCO1
|
Cc1nn(c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CC2C[NH2+]CC2C1
|
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