smiles
stringlengths 7
778
|
|---|
CCCCC(CC)CN(CC(CC)CCCC)c1cc(NC(=O)C(CC)CCCC)c(N=Nc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(N=Nc5cc(OCC)c(N(CC(CC)CCCC)CC(CC)CCCC)cc5NC(=O)C(CC)CCCC)cc4)cc3)cc2)cc1OCC
|
CCOc1ccccc1C(=O)NCC(=O)NCCc1cn2ccccc2[nH+]1
|
CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)c(F)c1
|
CC(CN(CC=O)CC(=O)[O-])[NH+](CC(N)=O)CC(=O)[O-]
|
COc1cc2ccc(C[NH+]3CCCC3C(=O)OCc3ccccc3)cc2cc1OC
|
COc1c(N)cccc1C(=O)NCCCCCCC(C)C
|
CC(F)(CC1COCC[NH2+]1)C1C[NH2+]C1
|
COCC1(C[NH2+]CC2(C)CCC2)CC[NH2+]CC1
|
O=C(NCc1nnc2ccccn12)N1CC2CC3CC(C2)CC1C3
|
Fc1ccc(c2nnc(Br)o2)c(Br)c1
|
CC[NH+]1CCN(C(=S)Nc2cccc(C)c2C)CC1
|
Cc1ccc(C2CCCCCN2C(=O)Nc2ccncn2)o1
|
COc1ccc(c2cc(=O)c3c([O-])cc(OC)c(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c3o2)cc1O
|
C=C(C)C(OC(=O)[O-])c1ccc([N+](=O)[O-])cc1
|
CS(=O)(=O)Nc1ccc(N)cc1I
|
COC(=O)CN(C)C(=O)c1sccc1C#CC[NH3+]
|
Cc1nnc(C[NH2+]C(C)c2ccc(OC(F)F)cc2)s1
|
[NH3+]CCCCCCNc1ncccc1F
|
CCOc1c(O)ccc2c1C(CCC(C)=O)[NH2+]CC2
|
O=[N+]([O-])c1nc(F)cc(C(F)F)c1Cl
|
CC1CCc2c(sc3nc(SCC(=O)N4CCC(C(N)=O)CC4)[nH]c(=O)c23)C1
|
O=C(Nc1cccc2cn[nH]c12)c1cc(Br)cnc1Cl
|
Cc1cc2ccc(N)cc2n(C(=O)C2CCN(S(C)(=O)=O)CC2)c1=O
|
CCC(CC)(CCCCCCc1cc(F)cc(F)c1)O[Si]
|
CCOC1(c2nc(C(=O)[O-])c(C)s2)CCC(C)(C)CC1
|
CCCNc1ccc(C(=O)N2C3CCC2CC(O)C3)nc1
|
COC(C)COc1cccc2c1CCC2=O
|
C[NH2+]C(CCc1ccsc1)C1CCC(C(C)(C)C)CC1
|
COc1ccc(C(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCCCC1
|
CS(=O)c1nccc(c2cc(C(N)=O)nn2C(C)(C)C)n1
|
COc1cc(C(=O)CCCc2ccccc2)ncn1
|
Cc1noc(c2cnc(Oc3ccc4c(c3)CC[NH+](C3CCCC3)CC4)cn2)n1
|
CCC(C)(O)C[NH2+]Cc1ncccc1C(=O)OC
|
CC(CO)CN(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2
|
Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)c1
|
CCN(CC(=O)[O-])C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1
|
C[NH+]1CCN(c2ccc3c(=O)c(C(=O)[O-])cn(c4ccc(F)cc4F)c3c2)CC1
|
Cc1ccc(NC2=[NH+]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)S2)cc1C
|
CC([NH3+])Cc1cc2c3c(c1)CCN3C(=O)CC2
|
CC(C)c1nc(=O)cc(NCC(O)C2CC2)[nH]1
|
N#CC(=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
|
[NH3+]CCOCCOCCOCC[NH+](CCCO)CCOCCOCCOCC[NH3+]
|
CCC([NH2+]C(C)CC(=O)[O-])C(C)C
|
COc1cc(OC)c(c2noc(C[NH3+])n2)c(Cl)c1OC
|
CS(=O)(=O)N1CCOc2cc(NC(=O)OCc3ccccc3)ccc21
|
NC(=O)c1ccc2c(c1)OCC(=O)C2
|
Cc1oc(c2ccc(Cl)cc2)cc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1
|
O=C([O-])c1nc(COc2ccc(O)cc2)n2cc(O)ccc12
|
CCCn1nc(C(=O)Nc2c(c3ccc(F)cc3)ncn2Cc2ccccc2)ccc1=O
|
CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1cccc(C)c1
|
CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)C2CCOC2)CC1
|
[NH3+]C(Cc1nccs1)c1cc2c(s1)CCC2
|
CC1(C)CCCCC1C(=O)NCC1CCCCC1CO
|
COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c(OC)c1
|
CCCCCCCCCCCCCCCc1cc(OCC(=O)OCCOCCCC)c(Cl)cc1Cl
|
CCC(C)NC(=O)C(C)OC1(C[NH3+])CCC(C(C)C)CC1
|
COCC(Sc1cnccn1)C(=O)[O-]
|
Cc1c(c2ccc3c(=O)n(C(C)C)ccc3c2)nnn1c1cccnc1F
|
[NH3+]C1(CCc2nc3n(c2Br)CCCC3)CC1
|
NC1=[NH+]C(=O)C(=Cc2ccc3occ(CCC(=O)N4CCCCC4)c3c2)S1
|
CC(C)(C)OC(=O)N1CCCN(C(=O)CCC(=O)Nc2nnc(SCc3ccccc3)s2)CC1
|
CCC(=O)N1CC[NH+](Cc2c(c3ccc(F)cc3)nc3sc4cc(Cl)ccc4n23)CC1
|
Cc1[nH+]cc(C([NH3+])C(C)C2CC2)n1C
|
O=C1C[NH+](Cc2cncn2Cc2ccccc2)CCN1C1CCCC1
|
COCCNC(=S)N=Nc1c(O)[nH]c2c(C)cc(C)cc12
|
COc1ccccc1c1c(F)ccc2c1N(OC1CCCC1)CS2
|
Cc1ccccc1CN1C(=O)NC(C)(c2ccco2)C1=O
|
CCOC(=O)CN(Cc1ncccc1C1C2CC3CC(C2)CC1C3)C(N)=O
|
O=C(O[n+]1ccccc1)c1ccc(C(=O)O[n+]2ccccc2)c2c(C(=O)O[n+]3ccccc3)ccc(C(=O)O[n+]3ccccc3)c12
|
COc1ccc(OCCC(C(C)=O)C(C)C)cc1
|
CC(Sc1[nH+]cc2ccccn12)C(=O)NCCC1=CCCCC1
|
COC(=O)CC(C)S(=O)Cc1ccc(Cl)cc1
|
CC([NH3+])C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]
|
COCCN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)OC)SC1=[NH+]c1ccccc1
|
CCCCC1CCC(C(=O)N2CCCCCC2C[NH3+])CC1
|
CCc1cc2c(=O)n(CCC(=O)Nc3ccc(Br)cc3)cnc2s1
|
CCc1cc(C(C)(C)C)cc(C=O)c1OCOC
|
CCCCCOc1ccc(C(C)=NO)cc1
|
CCOc1cc(C=C2SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1
|
O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1Cc1ccccc1
|
O=C([O-])C(O)c1cc(Br)c([N+](=O)[O-])cn1
|
CCOc1ccccc1C=NNC(=O)Cc1ccc(C)cc1
|
C[NH+]=C(NCc1cccc(Cn2ccnc2C)c1)N1CC2CCCCC2C1
|
CC(C)CC1Oc2ccc(Cl)cc2C2CC(c3ccc(Cl)cc3)=NN12
|
CC[NH2+]C(CC(C)CC(C)(C)C)c1c(Cl)cnn1C
|
CC(CC(C)(C)C(=O)OCC(C)(CO)CO)C(=O)N(C)C
|
O=c1n(c2ccccn2)ccn1c1ccccn1
|
O=c1c2c3c(sc2ncn1CC[NH+]1CCC(O)CC1)CCCC3
|
CSc1ccc(C2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1
|
CC(C)(C)c1n[nH]c(NNC(=O)C2CCCCC2)nc1=O
|
O=C([O-])C1CC[NH+](CC(=O)N2CCc3cc(OCc4cc(c5ccccc5)c(C(F)(F)F)s4)ccc32)CC1
|
Cc1nn(Cc2ccccc2C(=O)N(C)C)c(C)c1c1ccc(C#N)c(Cl)c1
|
CCc1cc2oc(=O)cc(COC(=O)c3ccccc3C(=O)OC)c2cc1Cl
|
CN(C)c1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)ccn1
|
COc1ccc(Br)c(NC(=O)C2([NH3+])CCOC2)c1
|
COc1ccc(C(C)=C2SC(N3CCN(c4ccccc4)CC3)=[NH+]C2=O)cc1
|
COc1cc(CC(=O)N2C(=O)OCC2C(C)C)cc(c2ccccc2)c1
|
NC(=O)CCOc1ccc(NCC2CCC=CO2)cc1
|
CC(C)(C)OC(=O)NC(CCCC[NH2+]CCCC#N)C(=O)OC(C)(C)C
|
Cn1cnc(CC[NH2+]Cc2ccc(I)cc2)n1
|
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