smiles
stringlengths 7
778
|
|---|
CCCCCCN1c2ccc(n3c4ccccc4c4ccccc43)cc2C(C)(C)C1c1c([O-])c(=O)c1=O
|
CC(CO)[NH2+]Cc1cc(=O)n(C)c(=O)n1C
|
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(CCC(=O)[O-])NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C([NH3+])CO)C(C)O)C(=O)[O-]
|
CN1C=N[NH+](CC(O)(c2ccc(F)cc2F)C(F)(F)c2ccc(OCc3cc(F)cc(F)c3)cn2)[NH2+]1
|
C=CCc1cc2c(cc1O)OC(c1ccc(OC)c(OC)c1)C2C
|
COc1c(C)cnc(CNc2nccc(N3CCCC(O)C3)n2)c1C
|
CC[NH+]1C=C2C3=C(C=CCC3CC1)OC2CO
|
Cc1ccc(c2ccc(C(F)(F)F)cc2Oc2nn3c(Cl)nnc3c3ccccc23)cn1
|
O=C1c2ccccc2C(=O)c2cc([N+](=O)[O-])c(C(=O)[O-])cc21
|
COCC(Nc1cc(OC)c(Br)cc1Br)c1ccccc1
|
COC(=O)C1(Cc2ccc(OC(C)=O)c(F)c2)CC1C(=O)N(Cc1ccc(OC)cc1OC)OCc1ccc(OC)cc1
|
O=S(=O)(c1ccc(C(F)(F)F)cc1)c1[nH]nc2ccc(OC3CC[NH2+]CC3)cc12
|
CCC=CCC(O)C=CC1CCC(=O)C1CCCCCCC(=O)[O-]
|
CCc1nc(Cn2nccc2C)cs1
|
CCOC(=O)N1CCC(NC(=O)c2ccccc2N(C)C(=O)C2CC2)CC1
|
Cn1cc(c2ccc(N3CCC4(CC3)CC[NH+](C3CCC3)CC4)nn2)ccc1=O
|
O=C([O-])N(CC#CCCl)c1cccc(Cl)c1
|
Nc1ccc(Cc2nc(Cc3cccc4ccccc34)no2)cc1
|
O=C([O-])C(Cc1ccccc1)Sc1ncc(Br)cc1F
|
CCC([NH2+]C1CCCC(SC)C1)c1cccc(F)c1
|
C1C[NH2+]C2(CCCNC2)OC1
|
CC[NH2+]C(CCCS(C)(=O)=O)c1cnccn1
|
C#CCSc1n[nH]c(=O)n1c1ccc(OCc2ccccc2)cc1
|
O=S(=O)(Nc1ccc(C2=NCCc3cc(C(F)(F)F)ccc32)cc1)c1ccc(c2ccon2)s1
|
CCC1(c2nc(C(C)OC)no2)CCC[NH2+]C1
|
COc1cccc(CC(=O)Nc2cnn(CC(F)F)c2)n1
|
Cc1ccc(CN(C(=O)C2CSCC[NH2+]2)C(C)C)o1
|
Cc1ccc(c2cnc(CCC(=O)N3CCC4C[NH2+]CC4CC3)o2)cc1
|
CC12OC(CCOc3ccnc4cc(Cl)ccc34)(CC1OC(=O)C(F)(F)F)C1C(=O)N(c3ccc(C#N)c4ccccc34)C(=O)C12
|
CCc1cncc(c2ccc3[nH]nc(c4cc5c(nccc5c5ccsc5)[nH]4)c3c2)c1
|
CNc1cc(OCCc2cccs2)ncn1
|
CS(=O)(=O)Nc1ccc(c2csc(NC(=O)CC3C=CCC3)n2)cc1
|
COC1CC(CC(=O)[O-])N(C(=O)c2cnn(c3ccc(Cl)cc3)c2C)C1
|
CCC(=O)N1CCN(c2nnc(SCC(=O)NCCOC)s2)CC1
|
COc1cccc(C[NH+](C)C2CCc3nn(CC4CC4)c(=O)n3CC2)n1
|
CC(C)C(=O)Nc1ccc(C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCCCC2)cc1
|
CCCOC(=O)C=CC(=O)Oc1cc(Cl)c(Cl)c(Cl)c1Cl
|
CCC[NH2+]C1CCN(C(=O)C2OCCC2C)CC1CC
|
CCc1c(C)nn(CC(=O)N2CCC(Cc3ccc(CO)cc3)C2)c1C
|
COc1c(CC(=O)[O-])ccc2ccoc12
|
O=C(c1cnn2ccncc12)N(CCBr)C1CCC1
|
CC(C)CC(C)(O)CNc1cc[nH+]c2c(N)cccc12
|
[NH3+]CC1(C(=O)NOCC(F)(F)F)CCC1
|
C=CN(Cc1cnccc1C)C(=C)c1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc(Cl)c1C
|
CCCCC(=O)Nc1cccc(c2cc3ccccc3[nH]2)c1
|
O=C1C2C(C(=O)N1c1ccccc1)N1CCCN1C2c1ccccc1
|
Cc1ccc(S(=O)(=O)n2c(c3cccc(C[NH+]4CCN(BC=O)CC4)c3)cc3c(Cl)ncnc32)cc1
|
Ic1ccccc1OCC1=CCC[NH+](Cc2ccccc2)C1
|
c1cc(N2COOO2)nnn1
|
O=C(CN1CCc2cc(C#Cc3ccccc3)ccc2C1=O)NCC1CC1
|
CCCCCCC=CC(OC(=O)C(OC)(c1ccccc1)C(F)(F)F)C(F)(F)F
|
C[NH+](CCN1CCNC1=O)Cc1ccccc1
|
CCCCN(CCC)C(=S)Nc1ccc(OC)cc1OC
|
CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCc2ccc(Cl)cc2Cl)c1
|
NC(=[NH2+])c1cc2c(nc1N1CCCC1)CCC2
|
Cc1c(F)cccc1C1(C(=O)NO)C=C(c2ccc3cnn(C)c3c2)CC1
|
C[NH+]1CCSC1C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
|
COC(=O)CC1(C)COc2c(OC)cccc2O1
|
COc1cccc(CNn2c(C)n[nH]c2=S)c1OCc1c(F)cccc1Cl
|
Cc1ccc(C)n1c1ccc(C(=O)NN=Cc2ccc(OCC(=O)[O-])cc2)cc1
|
CCOC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCCC2
|
COc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)cc1OC
|
CC1CCN(C(=O)NCCNC(N)=O)C1C(=O)[O-]
|
CC(=O)c1cccc(NC(=O)N2CCC(C(=O)[O-])CC2)c1
|
CCCCN1C(=CC2C(=O)C(=CC3=[N+](CCCC)c4ccc(C(=O)O)cc4C3(C)C)C2O)C(C)(C)c2cc(C(=O)O)ccc21
|
Cc1ccc(n2ccc3cc(C(=O)N4CC([NH+]5CCN(C(=O)c6nccs6)CC5)C4)ccc32)cn1
|
CCCC(C(C)=O)C(Cc1ccc2ncc(N)cc2c1)c1nn[n-]n1
|
C=CCCC([NH3+])C(C)(C)c1ccc(F)cc1
|
COC(C)(C(=O)[O-])c1cc2ccccc2c2ccccc12
|
CCOc1ccc(c2nc(c3ccccc3)cs2)cc1N
|
C=C(COC)C(=CCO)C(O)CCC(=Cc1ccc(O)cc1)CCC
|
Cc1ccc(C(=O)c2ccc(Br)cc2)cc1F
|
COC(=O)C(C)(C)[NH2+]C(C)c1ccccc1OC
|
COc1ccc2oc(C(=O)NCC(=O)NC(C)C)c(C)c2c1
|
CCC1[NH2+]C(C)(C)CCS1
|
NC(=O)C1CCN(c2cccc3ncccc23)N1
|
C[NH2+]C(Cc1cc(C)ccc1C)c1cc(F)c(F)c(F)c1
|
CN(CC[NH+](C)C)c1cc2c(cc1F)NC(=[NH+]Cc1cccc(Cl)c1)C1(CC[NH2+]CC1)N2
|
COC(=O)C(C)NC(=O)C(C)c1ccc(CC(C)C)cc1
|
O=C(NCCc1cccc(Br)c1)NC1=[NH+]CCS1
|
O=c1[nH]cc(n2cnc([N+](=O)[O-])c2)c(=O)[nH]1
|
CC[Si](CC)(CC)OC(C[NH2+]C1CC2CCC(C1)[NH+]2C(C)C)c1c(Cl)cc(F)cc1Cl
|
CC[NH2+]CC(CC)Cc1ccccc1OC
|
N#Cc1ccc(c2nc(C3CC(=O)N(Cc4cccs4)C3)no2)cc1
|
CC[NH2+]C(CC1CCCC1)C1CCOC2(CCCC2)C1
|
CN1CCCN(C2(C[NH3+])CC[NH+](C3CC3)C2)CC1
|
N#Cc1cc(Oc2ccc(Cl)cc2Cl)ccc1C(F)(F)F
|
CC(C)[NH2+]Cc1nc(COCCCc2ccncc2)cs1
|
O=C1CC(C(=O)Nc2cc(F)ccc2F)c2c([nH]c(SCc3ccc(Cl)cc3)nc2=O)N1
|
Cn1ncnc1CC(O)c1csc2ccccc12
|
O=C(c1ccc(Cl)cc1)N(c1c(Cl)cccc1Cl)C1CCS(=O)(=O)C1
|
C[NH2+]Cc1nc(c2ccc(F)c(Cl)c2)c(C)[nH]1
|
O=C(CCF)N1CC2(CC(OCC3CCOCC3)CS2)C1
|
COC(CNc1ccc(NC(=O)OC(C)(C)C)cc1)OC
|
CC1CN(C(CCC(=O)[O-])c2ccccc2)S(=O)(=O)C1
|
CCOC(=O)C1=C(C)N=C2N(c3ccccc3)[NH+]=C(C(=O)Nc3ccccc3)N2C1c1cccs1
|
c1cc2c(c(CCC3CCCO3)c1)C[NH2+]CC2
|
Nc1ncnc(Cl)c1N1CCCC1=O
|
COc1cccc(NCc2ncc[nH]2)c1[N+](=O)[O-]
|
COc1ccc(C(C)O)c(OCc2ccccc2C#N)c1
|
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