Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
COCCNS(=O)(=O)c1cc(C(=O)NC(C)c2ccccc2OC)ccc1OC
CCOC1(OCC)C=C2CCCCC2O1
Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)NCCOCC(F)F
N#CCOc1ccc2c(c1)OC(C(=O)[O-])C2
COc1ccc(C(c2c(NC(=O)c3ccccc3)sc(C)c2C)[NH+]2CCN(C)CC2)cc1
O=C(c1cccc(Br)c1F)N(Cc1cccs1)C1CC1
C[NH+](C)Cc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3nc3cc(N=[N+]=[N-])ccc23)cc1
CCC(C)N=C(C)C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F
CCn1nc(C)cc1C(=O)NCCCCl
CC(C)NC(=O)C1CCCN(c2cnccn2)C1
Cc1nc(Sc2ccc(F)cc2C=O)oc1C
Clc1ccc(C[n+]2cccnc2)cc1
CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NC(=O)NC(C)(C)C)C2=O
c1nc(C[NH2+]C2CC2)c(CC2CCCO2)o1
CC1=CN(C(=O)[O-])CCN(C(=O)[O-])CC[NH+](CC(O)COCCOCC[NH+](Cc2ccccc2)Cc2ccccc2)CCN1C(=O)[O-]
CC(C)c1ccc(CN2c3ccccc3C(CC=O)C2C#N)cc1
Cc1nc(n2cc[nH+]c2CC[NH3+])sc1C
Cc1ccc(C)c(n2nc(N3CCOCC3)cc2N)c1
C[NH2+]Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1
CCCCCC1CCC(CCCOc2ccc(C3OC(C(=O)OCCCC)C(C(=O)OCCCC)O3)cc2)CC1
OC(c1ccc(F)c(F)c1)c1nc2ccccc2cc1Br
CC(C)[NH+](CCC1(c2ccccc2)CNC(=S)c2ccccc21)C(C)C
CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc(F)c3ccccc23)c(C(C)(C)CC)c1
CC(OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1
COc1cccc(C=CC(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1
Cc1cc(C)c(Nc2cncc(C(=O)Nc3ccccc3F)c2)c(Cl)c1
FC(F)(F)c1cccc(Cc2cn3c(cn2)cc2ccccc23)c1
CC(C)(C)SC1CC(=O)N(C(C)(C)CCC(C)(C)C2CC(=O)N(C(C)(C)C)C2=O)C1=O
Cc1ccc2c(c1)CCCN2C(=O)COc1ccc([N+](=O)[O-])cc1
CC1(C)CC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1
NC(=[NH+]NC(=O)c1cnccn1)c1ccccn1
CCN(CC)C(=O)c1cc(OC)c2c(c1)OC(C)(CC=C(C)CCC=C(C)CCC=C(C)C)C(O)C2
CC(C)(C)C(=O)c1c(CC(C)(C)C(=O)[O-])c(C(=O)c2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cn12
CC(C)(C)NC(=O)C[NH+]1CCN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC1
CCc1cc2c(=O)n(c3cccc(Cl)c3)c(=O)n(CC(=O)Nc3ccc(Br)cc3)c2s1
C=C(NC1=CCC(c2cccc(C)c2)C=C1)C1(c2ccc(O)c(O)c2)CC1
CC(C)(C)OC(=O)N1C(c2ccccc2Br)C12Cc1ccccc1C2=O
CC(C)c1cc(C(=O)N2CCCC2c2cccnc2)n(C)n1
CCCCC(CC(CCc1ccc(c2ccccc2F)cc1)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)OC(C)(C)C
O=C1N=NC(=O)c2ncncc21
CCC(CC)(CO)CNC(=O)c1cc(N)cc(N)c1
COc1cccc(NC(=S)N2CCCC2C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1
CC(C)C[NH2+]CCCC[NH+](C)Cc1ccc(Cl)cc1
CCOC(=O)Cc1ccc2cc(Cn3c(CC)nc4c(C)cc(C)nc43)ccc2c1
O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(Br)cc1
CC1(C2=CCCCC2)CCC1O[Si](C)(C)C(C)(C)C
C[NH2+]C(C)c1ccc(F)cc1OC1CCN(C)C1=O
C[NH2+]C1CCCN(C(=O)c2ccc(Cl)c(F)c2)C1
C=NC=Cc1c(C)c2ccc(c3ccc4c5ccccc5n(c5ccc6ccccc6c5)c4c3)cc2n1c1ccccc1
CC(C)Oc1cccc(C(O)Cc2ccc(F)cc2F)c1
CC1CCC(COC(C)C)[NH2+]C1
CCO[Si](C)(C)CCCNC(=O)OCCN(CC)c1ccc(N=O)cc1
O=S(=O)(C1CCCN(Cc2cn(c3ccccc3)nn2)C1)N1CCOCC1
CCOc1ccc(Nc2cnnc(Nc3ccc(C(=O)OC)cc3)n2)cc1
Cc1ccccc1C(=O)Pc1ccc(OC(C)C)cc1Cl
COc1cc(I)ccc1COS(C)(=O)=O
CCN(C(=O)C(Cc1ccccc1)NC(=O)[N-]S(C)(=O)([O-])c1cc(c2ccoc2)ccc1C)c1ccc(OC)cc1
CC(=O)N1CCCC(c2noc(c3ccn(c4c(F)cccc4F)n3)n2)C1
CC(C)C1Oc2cccc(N)c2N(C)C1=O
COc1ccc(C(=O)C(C#N)c2ccc(Br)cc2)c(F)c1
COc1ccc(C2CC[NH2+]CC2)cc1Cl
CC(=CC=CCCO)C(C)OC(=O)c1ccccc1
[NH3+]CCn1cc(C(=O)NCC(O)c2ccccc2)nn1
Cc1cc(NC(=O)C2CCC(=O)NC2)c(C(=O)[O-])[nH]1
NC(=[NH+]O)c1ccc(C(=O)NCc2ncc[nH]2)cc1
CSCc1noc(c2cc(C(C)C)nn2C)n1
Cc1cc(C)c2c(=O)c(OCC(=O)c3ccc([N+](=O)[O-])cc3)c(c3ccccc3Cl)oc2c1
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccnc1N1CCCC1
COc1ccc(C=CC(=O)c2ccccc2[N+](=O)[O-])cc1COc1c(Cl)cc(Cl)cc1Cl
CC(c1ccc(c2n[nH]c(=S)o2)cc1)C(O)(Cn1cncn1)c1ccc(F)cc1F
COCCNC(=O)C(C)OC(=O)c1c(N)c(C)nn1C
CCCCCCCCCCCCCCCCCCCc1ccccc1n1cc[n+](C)c1
CC(C)c1ccc(C(=O)[O-])c(c2cccnc2)c1
C[NH+](C)CCOCCOCCC(N)=[NH+]O
c1ccc(c2cc3c(n2C2CCCCC2)-c2ccccc2C3)cc1
C[NH+](C)CCNC(=O)Nc1ccc(c2nc(N)cc(CS(=O)(=O)C3CCCCC3)n2)cc1
c1ccc(C(NC2=[NH+]CCCCCCC2)c2ccccc2)cc1
CCCC(=O)NC1=C(C(=O)OCC)C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)S1
CC1CCCC(n2cnc(Cl)c(Br)c2=O)C1
Cc1cccc(C)c1NCC(=O)NNC(=S)Nc1ccccc1
CC(=O)N1CCC(Cn2c(C(C)(C)C)nc3cc(S(=O)(=O)CCc4ccc(F)cc4)ccc32)CC1
COc1ccc(NS(=O)(=O)c2ccc(N3CCC([NH2+]CC(O)COc4ccc(OCc5ccccc5)cc4)CC3)cc2)cc1OC
CC1CCCCC1OCC(O)C[NH2+]Cc1ccccc1O
c1ccc2cc(c3c4c(c(c5ccc6ccccc6c5)c5c(c6ccc7ccccc7c6)c6ccccc6c(c6ccc7ccccc7c6)c35)-c3cc5ccccc5c5cccc-4c35)ccc2c1
Oc1cccc(c2ccccc2F)c1F
CC1(C)Cc2cccc(C(N)CC(F)(F)F)c2O1
O=C(COC(=O)c1occc1c1ccccc1)c1ccc(F)cc1F
COc1ccc(n2ccc(C(=O)NCCCC3=NNC(=O)C3)n2)cc1
Cc1cc(C)cc(NC(=O)CN2C(=O)SC(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)c1
Cn1c(=O)cc(OCCCC(=O)Nc2ccc(Br)cn2)c2ccccc21
Cc1ccn(c2cc(C)c(F)cc2C(C)[NH3+])n1
COc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1OC
CCOC(=O)c1ccc(C(=O)Cl)cc1C(=O)Cl
CCCC[NH+](CCCC)CCCC[Si](C)(C)C
Cc1ccc(C(O)C2C[NH2+]C2)cc1F
CCn1c(C)cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1C
CCc1c(CC)c2ccccc2n(C)c1=O
O=C(NCc1ccc(F)cc1)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1
CCOc1ccc(Br)cc1C1NNC(C)C1C(=O)NN
CCC[NH+]1CCC(C(=O)[O-])(N(C(C)=O)C2CC2)CC1