Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
Cn1cccc1C(=O)Nc1ccccc1N
Cc1cccc(NS(=O)(=O)C2=CC(Br)CCC2)c1
O=CCCn1c(=O)ccn(C2CC(O)C(CO)O2)c1=O
COc1cccc(C(O)(C(=O)[O-])c2ccccn2)c1
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2)CC1
Cc1cccc(OCC(=O)Nc2ccc3cn[nH]c3c2)c1C
COc1ccc(c2cn3ccc(C)cc3[nH+]2)cc1NC(=O)c1ccc2ncsc2c1
O=C([O-])C1CCN(C(=O)Nc2cnn(c3cccc(C(F)(F)F)c3)c2)CC1
CCOc1ccc(C(=O)CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1
CC(C[NH2+]CC1CCCO1)OCc1ccccc1Cl
O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2c2ccc(Cl)cc2)CC1c1ccccc1
COCCC(NC(=O)c1cc(Cl)ncc1Cl)C(=O)[O-]
O=C(CN1CCCS1(=O)=O)N1CC2Oc3c(F)ccc(F)c3OC2C1
COc1ccc2c(C)c(CCC(=O)Nc3nc(c4ccc5c(c4)CCO5)cs3)c(=O)oc2c1
Cc1ccc(N2CC(CC(=O)[O-])(CC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CN(Cc3ccc(Cl)cc3Cl)C2=O)cc1
COc1cc(C2C3=CCn4c(=O)n(c5ccccc5)c(=O)n4C3CC3(C)C(=O)C(C)=C(C)C(=O)C23C)c(Br)c(Br)c1O
O=C(Nc1ccc(c2oc(c3ccccc3)nc2C(=O)N(Cc2ccccc2)C(F)(F)F)cc1)c1cccnc1
Cc1ncnn1c1ccc(C(=O)N(C2CC2)C2CCN(c3nc(C(C)C)no3)CC2)cn1
CCc1ccc(n2[nH]c3c(cnc4ccc(C(=O)NC5CCCC5)cc43)c2=O)cc1
CC1([Si](C)(C)C)SC2CCCCC2S1=O
CCCNC(C)(C#N)CCCOc1cccc([N+](=O)[O-])c1
N=CC(CN=Cn1c2c(c3c1C=CC(C1C=CC=C4C5C=CC=CC5SC41)C3)CCC=C2)c1ccccc1C1C=CC=CC1
CO[Si](C)(C)CCCC(=O)C(C)Br
COc1cccc(CN2CCCCC2C[NH2+]C(C)(C)C)n1
Cc1cc(Cl)ccc1OC(CCOc1ccc(Cl)cc1Cl)C(=O)[O-]
C[NH2+]Cc1c(C)nn(c2ccc(C(C)(C)C)cc2)c1C
O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1Cl
Cc1cnn(c2c(C(=O)[O-])cnc3c2c(C)nn3C)c1
CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCC(=O)[O-])c(OC)c2)cc1OCC
COc1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)nc2)cc1
CCC(C)N(CC)S(=O)(=O)c1ccc(NC)nc1
Cc1cc(CO)c(C([NH3+])C2CCC2)cc1F
N#CCSc1ccccc1NC(=O)COC(=O)Cc1ccc2c(c1)CCC2
Cc1ccc(C(C)[NH2+]C(c2cccs2)C2CCCC2)cc1
CCC[NH2+]C(CCc1cccs1)c1c(F)cccc1F
O=C(Nc1ccc(Cl)cn1)c1ccc(n2nc(SCc3ccccc3)sc2=S)cc1
C=C1C(=CC=C2CCCC3(COCC#CC(C)(C)O)C2CCC3C(C)C)CC(O)CC1O
COc1ccc(c2nc3scc(CCNC(=O)c4ccc(F)c(F)c4)n3n2)cc1
COc1cc2ncn(Cc3ccc4nc(NC5CCCCC5O)oc4c3)c2cc1OC
CNC(=S)NC1CCCN(C(=O)NCCc2ccc(OC)cc2)C1
Cc1nc(c2ccccc2)sc1C(=O)N1CCC(C)CC1C[NH3+]
CC[NH2+]CCCN(C)S(=O)(=O)NC1CCCCC1
C=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[NH3+]
COc1cc(C([O-])=C2C(=O)C(=O)N(Cc3ccccc3OC)C2c2cccc(C)c2)ccc1Cl
O=C(CSCc1ccccn1)N1CC[NH2+]CC1
Cc1cnc(Nc2ccc(C(N)=O)cc2)nc1Nc1ccc2c(c1)CCC(=O)N2C
Cc1cc(F)c(Br)cc1NCc1cccc(C2CC2)c1
CNc1cccc(C#N)c1c1ncc[nH]1
CC(=O)C=C1CCC2CCC[NH+]12
CCCOC(CC)C[NH2+]CC
CC(C)c1nn(CC(=O)NCC2CCCO2)c(=O)c2c1cnn2c1ccccc1
[N-]=[N+]=Nc1ccc(c2cccc(Br)n2)cc1
Cc1ccc(C(C)([NH3+])Cc2cccs2)cc1
O=C([O-])C1CCCC1CNC(=O)N1CCCC1
O=S(=O)(NC(CCCCCl)c1ccccc1)c1ccccn1
COc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3c2ccccc2)cc1
CCOc1ccc(Nc2ccc(C(=O)Nc3ccc(OC)cc3)cn2)cc1
CNC(=O)C(C)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O
O=C(NCC[NH2+]C1CCCCCC1)c1cc2ccccc2c(=O)[nH]1
CCC[NH2+]CCCc1ccn(C2CCCCC2)n1
Cc1ncc(C2=CC(C(=O)NOO)(c3cccc(F)c3C)CC2)cc1Cl
Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)NCCc1ccc(Cl)cc1Cl
Cc1cnc(C(=O)N2CCOC(c3cc(N(C)C)cc(C)[nH+]3)C2)cn1
COc1cccc(NC(C)Cc2ccsc2)n1
O=C(NCCOCC(F)(F)F)c1ccc(Br)c([N+](=O)[O-])c1
CCOC(=O)C(C)(C)c1csc(NCCCS(C)(=O)=O)n1
CC1C[NH+](Cc2ccc(C(=O)NCc3nncn3C)cc2)CC(C)O1
CNC(=O)C1SC(n2cnc3c(NCc4cccc(I)c4)nc(CI)nc32)C(O)C1O
O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC[NH2+]CC1
CCCCCCCCCCCCOc1cc(Cl)c(ON(OCC)c2ccccc2)c(Cl)c1
c1ccc(c2nc(C[NH2+]Cc3cnc(C4CCC4)s3)cs2)cc1
N#Cc1ccccc1c1cc(c2cc(c3ccc4oc5ccccc5c4c3)cc(c3ccc4oc5ccccc5c4c3)c2)nc(c2ccccc2)n1
CCc1ccc(n2c(SCC(=O)NCCCOC)nc3sc(C)c(C)c3c2=O)cc1
CCC(C)n1ncn(c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cccn6)(c6cccc(Cl)c6)O5)cc4)CC3)cc2)c1=O
COc1cccc(C(=O)N(CCc2ccccc2)Cc2cc(C(=O)NCC(C)C)no2)c1
COc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC
NC(=S)c1cccc(CNC(=O)c2ccc(Cl)cn2)c1
Cc1cnc(CNC(=O)c2c[nH+]ccc2N)s1
CC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)c4cccc(C(C)(C)[NH3+])c4Cl)c3)cc2s1
O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC1CCOc2ccccc21
Cc1ccc(C)c(N(CCCC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1
CC1CCCC([NH3+])(C(=O)NCCCC2CC2)C1
CC(C)(C)[Si](C)(C)OOC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
CC(C)(C)c1ccc(N(c2ccc3c(c2)sc2cc(C=C(C#N)C#N)sc23)c2ccc3oc4ccccc4c3c2)cc1
CCC(C)(O)CC(Cc1cccc(Br)c1)C(=O)[O-]
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1
CCCCCN=NS(=O)(=O)N=NCCCCC
Cc1cc(=O)nc(NCC(=O)NCCc2c[nH]c3ccccc23)[nH]1
CCc1cccc(CC)c1c1cc(OC)c(C(=O)OC)cn1
CCCNc1c(COCC2CCCC2)cccc1[N+](=O)[O-]
COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C(C)C)CC1)CCCCC2
CC(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1
Cc1ccc(CNC(=O)C2CCC(C[NH3+])O2)c(OC(C)CC(C)C)c1
Cn1[nH]c(=O)c(N=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1NC(=O)C(F)(F)F
C=CCOc1ccc(C(=O)NN)cc1Br
CC(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-]
CCS(=O)(=O)Nc1nccnc1C(=O)[O-]
C=CCN1C(=O)C(SCc2ccco2)=C(c2ccccc2OC)C1=O
CCCCOC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1
c1ccc2c(CSCc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1