smiles
stringlengths 7
778
|
|---|
CCc1cc(C2(CC(=O)[O-])CC2)cc(Cl)c1F
|
Cc1cc(C)c(NC(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2)c(C)c1
|
CCCCC(CC)CC(O)C(C)(CC)[NH+]1CCOCC1
|
NC(N)=[NH+]c1cccc(C(=O)NCC(=O)NC(CC(=O)[O-])c2cc(Cl)cc(Cl)c2Cl)c1
|
Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2nc(c3ccc(F)cc3)no2)cc1
|
Cc1cc2oc(=O)c(C=O)c(Cl)c2c(C)c1Cl
|
O=C(CCNc1cncc2nnnn12)N1CCOCC1
|
CSc1nnc(CCCNC(=O)c2ccc(F)cc2Cl)n1CC(C)C
|
COC(=O)c1cc2oc3ccc(C=O)cc3c2cc1N(C(=O)C1CCC(C)CC1)C1CCC(OC)CC1
|
CN(Cc1cnccn1)S(=O)(=O)C1(C)CC1
|
N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)c2ccc(OC(F)F)cc2)cc1
|
O=C([O-])C1CCN(C(=O)NCCCCn2ccnc2)C1
|
COC(=O)c1c(C#N)cnc(N)c1OC(F)(F)F
|
CCOC(=O)C[NH+](Cc1cn2cc(Cl)ccc2n1)C(C)C
|
NNC(CCC1CCCC1)Cc1cccc(F)c1F
|
CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
|
Cn1c(COc2ccccc2Cl)nn(C[NH+](C2CC2)C2CCc3ccccc32)c1=S
|
CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1Oc1ccc(OCc2ccccc2)cc1
|
C[NH+](C)CCCNc1nc2c(F)c(F)cc(C(=[NH2+])N(O)c3ccc(F)c(Br)c3)c2[nH]1
|
C#CCCC(NC(=O)C1C2C(CN1C(=O)C(NC(=O)NC(=O)NC(CN1CCCCC1=O)C(C)(C)C)C1Cc3ccccc3C1)C2(C)C)C(=O)C(=O)NCC=C
|
Cc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccccn2)c1
|
C[NH2+]CC(O)c1cc(OC)c(OC)c(Br)c1F
|
CC(C)N1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2C)C1=O
|
CCCC[NH2+]CCC1=C(CC[NH2+]CCCC)C(C(C)CCC)=C(C(C)CCC)C1
|
CCC(C)NC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(NC(=O)c4cccc(C)c4)c(C)c3)CC2)ccc1Cl
|
CCCOc1ccc(C=CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1[N+](=O)[O-]
|
O=C(Nc1ccc2c(c1)OCO2)OCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1
|
Cc1nc(CC([NH3+])Cc2ccccc2)sc1C
|
CCCc1onc(c2c(Cl)cccc2Cl)c1CCC=O
|
Cc1cc(C(NN)c2ncccc2Cl)ccc1F
|
Cc1ccc(C)c(n2cc(C=O)c(c3cc(Br)cs3)n2)c1
|
C=CCON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSC=Cc3ccccn3)CSC12)c1nsc(N)n1
|
COCCOCn1ccnn1
|
N#CC(c1ccccc1)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1
|
O=Cc1conc1C(Cl)c1ccccc1Cl
|
Cn1cccc1C(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1
|
CC(=O)c1cc2occc2n1COC(=O)C(C)C
|
O=C(Cl)NCc1ccc(Br)cc1
|
Cc1ccc(n2cc3c(n2)CC[NH+](CC(=O)N2CC[NH+](C4CCC4)CC2)C3)nn1
|
CC1CCc2nc3sc(C(=O)N(C)C4CCCCC4)c(N)c3cc2C1
|
C=C(CC)CC([NH2+]C)c1cn[nH]n1
|
Cc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)Nc2ccc(Br)cc2)c1
|
O=C([O-])CC([NH2+]Cc1ccco1)C(=O)OC1CCCCC1
|
COc1ccc(Cl)cc1C=C1NC(c2ccco2)=[NH+]C1=O
|
CCc1ccc(Cc2c(Cl)ccc3c2COC3(CO)OC(C)CC)cc1
|
CCOC(=O)CNC(=S)Nc1nc2ccccc2s1
|
CCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1c(Cl)cccc1Cl
|
O=C(Sc1ccccc1)C1(C(C[N+](=O)[O-])c2ccccc2)SCCCS1
|
O=c1[nH]c(C=Cc2ccc(c3ccc(F)cc3)o2)c([N+](=O)[O-])c(=O)[nH]1
|
[NH3+]C(CO)CCCOC1=CCC(C=CC(=O)OI)C=C1
|
C=CCN(C(C)C)S(=O)(=O)c1cc(N)c(Cl)cc1C
|
COc1ccc(CCC(=O)NCCC2CCC[NH2+]C2)cc1F
|
C=CCn1c(=O)c2cnc(Nc3ccc(O)cc3)nc2n1c1cccc(C(C)(C)O)n1
|
Cc1ccc(SCCC(=O)N2CCC3CCC(C2)[NH2+]3)cc1C
|
Cc1cc(C)nc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)n1
|
O=C1OC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1
|
COc1cccc(C(=O)NC(C)c2nnc(SCc3cccc(C(F)(F)F)c3)n2c2cccc(Cl)c2)c1OC
|
Cc1nc(N2CC3CC2CN3C(=O)[O-])cc(n2nc(Nc3cnccn3)c3ccccc32)n1
|
CCn1c(SCc2nc(N)nc(N)n2)nnc1c1ccc(Cl)cc1
|
CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1
|
N#Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2Br)ccc1F
|
CCCCc1nnc(NC(=O)c2cc(C3CC3)on2)s1
|
CCCC(OC)C(=O)C1=COCCC1
|
NC(=O)c1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl
|
CNP(=O)(NC)OCCCCl
|
CC(C=O)Cc1ccc(C(F)(F)F)c(CC(=O)[O-])c1
|
CC(C)(C)c1cccc(Oc2cc(c3cccc(OC(F)(F)F)c3)ccc2C=O)c1
|
CCCOc1ncnc(N)c1CCC
|
COCCNC(=O)c1cn(CC2CCCN(C(=O)c3ccc(OC)o3)C2)nn1
|
CC(C)C(C1OC(CO)C(O)C1O)n1cnc2c(N)ncnc21
|
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2cccc(F)c2)c(OCC)c1
|
Cc1cc(NCc2ccc(Cl)s2)cc([N+](=O)[O-])c1
|
COc1cc(OCCSC(F)(F)F)cc(C(N)=[NH2+])c1
|
COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2C(=O)NC2CCCCC2)CC1
|
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1
|
COc1ccccc1Nc1nc(N)nc(Cn2cnc3ccc(Br)cc3c2=O)n1
|
CCC1CCC(O)(CNC(=O)CCC[NH2+]C(C)C)CC1
|
CCC(C(OC)C(OCCOC(=O)c1ccccc1)OC1C(C)C(=O)C(C)C(=O)OC(CC)C2(C)OC(=O)N(CCCC[NH3+])C2C(C)[NH2+]CC(C)CC1(C)OC)[NH+](C)C
|
CC1(C)N(Cc2ccccc2)C(=O)C2C(C(=O)c3ccccc3)[NH+]21
|
CC(C)=CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1
|
CC(=O)c1cc(C#N)c(I)cc1C(F)F
|
CNC(=O)CCN1CCCC([NH2+]C)C1=O
|
Cc1ccc(C(N)=S)cc1S(=O)(=O)N1CCC(O)C1
|
C[NH2+]Cc1cccc(NC(=O)CC2CCCCO2)c1
|
O=CNCC(NC(=O)[O-])c1cccc(C(F)(F)F)c1
|
CC(C)(CCCn1c(=O)[nH]c2ccccc21)CCC(O)c1cc(O)cc2c1OCC(=O)N2
|
CC(C)(C)OC(=O)NNCc1cc(Br)cs1
|
COc1ccc2[nH+]ccc(N3CCC(N(C)c4ccncn4)CC3)c2c1
|
Cc1ncc(C(=O)N2CCC(C(C)O)C2)s1
|
Cc1cc(NC(=O)CS(=O)(=O)c2ccc(C(C)(C)C)cc2)no1
|
C=CCN(C=[NH2+])c1ccc(c2cnc[nH]2)cc1
|
Nc1ccc(SCCc2ccc3c(c2)CCO3)cc1
|
CC(C)(C)[NH2+]Cc1cccn1Cc1cccc(Cl)c1F
|
CCc1nn(C)c(CC(O)C2CC2C)c1Cl
|
CCC([NH3+])C(CC(=O)OC)c1cc(C)ccc1F
|
CC(=O)Cc1nnc(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)s1
|
CNC(=O)C(C)[NH2+]C1CCC(C(F)(F)F)CC1
|
CC(C)c1cc(Cl)nc(c2cc(F)cc(C(F)(F)F)c2)n1
|
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3cccc(I)c3)C(C)=C1C2(C)C
|
CCCCCc1ccc(c2ccc(c3ccc(CCCN(C)SOC)cc3)c(C)c2)cc1
|
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