smiles
stringlengths 7
778
|
|---|
COc1cc(CC2C(O)C3CC[NH+]2CC3)ccc1O
|
Fc1c(CBr)cc(Br)cc1OC(F)F
|
Cc1cc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)n(C)n1
|
CCc1ccc(C(=O)NC(C)C(C)CO)cc1
|
CCC1CCN(C(=O)NCC(C)(O)C(=O)[O-])CC1
|
O=C(Nc1nnc(C2CCCCC2)s1)N1CC[NH+](CCCCO)CC1
|
COc1ccc(C(=O)NCCCCCCNC(C)=O)c(Cl)c1Cl
|
CCC(C)OC(=O)C([NH3+])C1CC1
|
CC(=O)C1C(=O)C(C(C)C)C2(C)CC3(C)Cc4ccc(CC5CCCCC5)c([O-])c4C(=O)C3C(=O)C2(O)C1=O
|
COCc1ccc(C(=O)NCC(O)C(C)(C)C)cc1
|
[NH3+]C(CO)C(=O)NC(CCC(=O)[O-])C(=O)NC(CO)C(=O)N1CCCC1C(=O)[O-]
|
COCCC1(Oc2ccc(Oc3ccc(c4cnc(c5ccc(C#N)cc5)o4)cc3)cc2)C(=O)NC(=O)NC1=O
|
CC(C)(C)OC(=O)N1CCN(c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1
|
COc1c(Cl)ccc(C(C)=O)c1C(F)(F)F
|
Cc1cc2n(n1)CCCN(C(=O)c1cnnn1c1ccccc1)C2
|
CCCN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CC[NH2+]C1
|
CCC(C)C([NH2+]Cc1cc(C)ccc1O)C(=O)[O-]
|
C=CCn1c(C)nnc1SCC(=O)N1N=C(c2ccc(C)cc2)CC1c1ccco1
|
Fc1ccc2c(c1)NCCC1CSCCN21
|
COC(=O)CC[NH2+]C(C1CCN(Cc2ccc3c(N)cc[nH+]c3c2)C1=O)n1ccc2cc(Cl)ccc21
|
Cc1cc2c(s1)N(Cc1ccccc1)c1ccc(F)cc1[NH+]=C2N1CC[NH+](C)CC1
|
CC(CC[NH2+]C1CC1)[NH+](C)Cc1ccccc1
|
CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1
|
CC(CC1CC1)Nc1cccc(C(=O)[O-])n1
|
COc1cc(OC)cc(C(=O)Nc2nnc(c3ccc(Cl)cc3Cl)o2)c1
|
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(Cl)cc2)cc1
|
C[NH2+]CC1(Cc2ccc(Br)s2)CCOCC1
|
c1ccc(C2COC(c3cccnc3Oc3cccnc3)=N2)cc1
|
O=C(Cc1noc(c2ccccn2)n1)Nc1cc(Cl)cc(Cl)c1
|
CNc1nc(CNc2ncc(Cl)cn2)cc(Oc2ccc(NS(C)(=O)=O)cc2)n1
|
CCn1cc(C(=O)CSc2nnc(c3ccncc3)n2C)c2ccccc21
|
CCN(CC)C(=O)C1CC(NC(=O)Cc2cc(C)no2)C[NH+]1C1CCCC1
|
CC1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2CO)C1
|
C=C(C[NH2+]CC)C[NH+](CCO)CCOC
|
CN(C(=O)CCl)C1CC[NH+](Cc2ccccc2)C1
|
CCN(c1ccc(C#N)c(C(F)(F)F)c1)C1CC=C(c2cncn2CC2(C)COC2)C1
|
COc1ccccc1c1nnn(CC(=O)Nc2cccc(F)c2)n1
|
[NH3+]C(CC(=O)[O-])c1cccc2sc(=O)oc12
|
COC(=O)c1cccnc1C[NH+]1CCCCC1C
|
CCC1CN(C(=O)c2cc(F)cc(N)c2F)CC[NH+]1C
|
CO[Si](CO)(CC[Si]1(C)O[SiH](C)O[Si](C)(CCCOCC2CO2)O[SiH](C)O1)OC
|
Oc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1
|
O=C1CCCCCCCS(=O)(=O)C1
|
CCC(C)(C)C(=O)Nc1c(Cl)cc(S(N)(=O)=O)c(C)c1Cl
|
N#CC(C#N)=c1ccc(=C(C#N)C#N)c2c1=CC1(C=CC3(C=C1)C=C1SC(=C4SC=CS4)SC1=C3)C=2
|
CC1CC([NH+]2CCOCC2)CN1C(=O)Nc1nnc(CC(F)(F)F)s1
|
Fc1ccc(C(F)F)cc1CI
|
CC(C)c1ccc(c2csc3ncnc(Nc4nc5c(s4)C[NH+](C)CC5)c32)cc1
|
CN(c1ccc([N+](=O)[O-])cc1C(N)=[NH+]O)C1CC1
|
CCC[NH2+]C(Cc1ccc(CC)s1)c1cc(F)cc(F)c1
|
N#CC(=Cc1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1
|
C[NH2+]CCCCN(C)c1ccc2c(c1)CCCO2
|
CCCOc1c(Cl)cc(C(=O)Nc2cccnc2N2CCNC(=O)C2)cc1OC
|
N#Cc1sc(NCC[NH+]2CCCCC2)c(C2CC2)c1N
|
CC1(C(=O)N2CC3CC3C2C=O)CC1
|
CC1CN(C(=O)NCC[NH+](C)C(C)C)CC1C(=O)[O-]
|
O=C(Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1
|
CCOC(=O)c1oc2cc(OC)ccc2c1c1ccccc1
|
N#CC(=CNc1ccccc1C(N)=O)C(=O)NC(c1ccccc1)c1ccccc1
|
Cc1cnc(c2nnc(S(=O)(=O)Cl)n2C)cn1
|
FC(F)(F)c1cc(Cl)c(c2[nH]c(Br)c[nH+]2)c(Cl)c1
|
O=C(CCc1nc2ccccc2s1)OCC(=O)c1ccc(F)cc1
|
CCc1nnc(Nc2cc(C)nc3nc(C)ccc23)s1
|
CC1(C)C2CCC1(C)C(NC(=O)C1CC(=O)N(CC[NH+]3CCOCC3)C1)C2
|
COCC(O)CNc1nccc(C(=O)[O-])c1F
|
O=C(Cc1ccsc1)OCc1nc(c2ccc(Br)cc2)no1
|
Cc1ccc(n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(c3ccc(NC4CCS(=O)CC4)nc3)c3ccccc23)cn1
|
CC(C)(C)c1csc(Cn2nccc2C(=O)[O-])n1
|
O=C(C[NH2+]C1CCCC1)NCc1ccccc1O
|
CCc1ccc(NC(=O)C(C)NC(=O)c2cccc(C)c2)cc1
|
CCCC(CBr)COc1c(Br)cc(Br)cc1Br
|
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(C)c1
|
CCC(=O)NCc1cc2n(n1)CCN(C(=O)Cn1ccc3ccccc31)C2
|
CCOC(=O)c1sc(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)nc1C
|
Cc1ccc(NC(=O)CSc2n[nH]c(N)n2)cc1S(=O)(=O)N1CCOCC1
|
FC(F)(F)COCCNC(=S)NC1CCCCC1
|
CC(C)C[NH+](C1CC1)C1CCC([NH2+]C2CC2)(C(=O)[O-])C1
|
O=C(CN1C(=O)CCC1=O)N1CCN(c2ncnc3cccc(F)c23)CC1
|
CCCCCCCCCCOc1ccc(C=Nc2ccc(OCCCCC)cc2)c(O)c1
|
CC(C)(C)CC(C)(C)[NH2+]CCC=C[Si](C)(C)C
|
Cc1nnc2n1CC(C(=O)[O-])N(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C2
|
O=C(C=Cc1ccsc1)N1CCC2(CC1)CCN(C(=O)CCC(=O)N1CCCc3ccccc31)C2
|
COc1ccc(C(OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2CN(C)OCC2OC(n3cc(C)c(N)nc3=O)CC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
|
CCOC(=O)C1=C(C(F)(F)F)NC(=O)NC1C
|
CCC(CCCl)CNC(=O)Cc1cccc2ccccc12
|
O=C(c1ccccc1)C1CCC[NH+](Cc2nc(NCc3cccs3)c3ccccc3n2)C1
|
COc1ccc(C(F)(F)F)c(c2ccc(N)c(C(=O)Nc3ncccc3N3CCC(C)([NH3+])CC3)n2)n1
|
CN(C)c1cccc2c(S(=O)(=O)N(C)c3ccc(C(=O)OCC(=O)NN=Cc4cccc(OCCC[NH+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c4)cc3)cccc12
|
Cc1cccc(N2CCN(C(=O)c3cn(C)nc3c3ccc(F)cc3F)CC2)c1
|
Cc1ccc(Oc2ccc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)cc2)cc1C
|
CC(C)c1ccc2oc(Nc3cccc(c4ccc(=O)[nH]n4)c3)nc2c1
|
CC(C)CC1NC(=O)C(CCCC[NH3+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(NC(=O)C2CC(=O)NCCCCC(NC(=O)C(NC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)C[NH2+]Cc3ccccc3)C(C)O)C(=O)NC(C)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCC[NH3+])C(=O)N2)CCCCNC(=O)CC(C(N)=O)NC1=O
|
CC(C)NC(=O)c1ccc(NCCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1
|
CCCC1[NH2+]CCn2c1nnc2c1csc2ccccc21
|
CCC(C)C([NH3+])C(=O)NCC(C)Cc1cccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)c1O
|
CSC(CO)C(C)NC(=O)NCc1ccc(F)c(Cl)c1
|
O=C(NCC1(C(=O)[O-])CCOCC1)N(CCO)CCO
|
COc1cc(N2CCCC2)c(OC)cc1C1CCC[NH2+]C1
|
[NH3+]Cc1c(N2CCCC2CCCO)nc2sccn12
|
CN1CCC([NH2+]C2CC(C(F)F)C2)C1
|
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