Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
C=CCc1cc(C=NNC(F)(F)C(F)(F)C(F)(F)F)ccc1OC
COc1cccc2c(=O)c(C(=O)OC3CC3)c[nH]c12
O=c1cc2c(c3oc(c4ccc(O)c(O)c4)c(O)c([O-])c1-3)C1c3c(O)cc(O)cc3OC(c3ccc(O)cc3)(O2)C1O
CC1(C)CC(N(CC(O)CO)C(=O)NO)CC(C)(C)[NH2+]1
COc1ccc(c2[nH]c3cc(OC)c(OC)c(C=O)c3c2C=O)cc1
CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1
Cc1[nH]c(C(Cc2cn(C)c3ccccc23)NC(=O)C(C(=O)ONC2CCCCC2)C(C)C)nc1C(=O)[O-]
Cn1c(=O)ccn(CC(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1=O
O=C(CSc1ncccn1)N1CCc2ccccc21
CN(Cc1ccccc1)c1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C
CCNc1cc(Cc2ccccn2)nc(C)n1
CC(=O)Nc1ccc(C(=O)OCc2ncc(c3ccc(Cl)cc3)o2)cc1
Fc1ccc(CC2Cc3cc(F)ccc3CN2CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1
Cn1cccc1C1CCCCN1C(=O)NCc1ncnn1C(C)(C)C
O=C(CC1COCCN1C(=O)[O-])N1CCC[NH+](Cc2ccccc2)CC1
CCNC(=[NH+]Cc1ccco1)N1CCN(c2ccc(F)cc2)CC1
Cc1nn(CC[NH3+])c(C)c1S(=O)(=O)NC(C)C(C)(C)C
CC[NH2+]C(CC1CCCC(F)(F)C1)C(C)CSC
O=C([O-])Cc1cc(F)ccc1N1CCCCCC1
NC(=O)c1ncc(I)c(F)c1OC(F)(F)F
CCCC([NH3+])CC(=O)NCC(C)(CC)C(=O)[O-]
COc1ccc(CN(CC(O)CF)C(=O)c2cc(c3ccc(F)c(Cl)c3)n[nH]2)cc1
N#Cc1c(N)nc2c(c1c1ccsc1)CCCCC2
CC(C)OC1(C=O)COC(C)(C)C1
CCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1
C=CCC([NH2+]Cc1ccccc1)C1OC2OC(C)(C)OC2C1(C=C)OCc1ccccc1
NC(N)=[NH+]C(=O)c1cccc(c2ccccc2)c1
O=C(c1cc(NCCc2ccccc2)cc[nH+]1)N1CCCCC1
O=C(C=Cc1cc2ccccc2o1)Nc1ccc(Br)cc1F
CC(C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)C1C[NH2+]C1
CCC1CN(C(CC)CC)C(CC(C)C)C[NH2+]1
CC(O)(C1CN(c2nc(c3[nH]nc4ncccc43)c(F)cc2F)CCN1)C(F)(F)F
NC(=S)SCc1ccc(CC(=O)[O-])cc1
CCOc1ccc(NC(=O)c2n[nH]c(C)c2N)cc1F
CC(C)(C)OC(=O)NCc1nn(Cc2ccccn2)c(=O)c2ccccc12
CN(C)C(=O)CCNC(=O)C1CC1[NH3+]
CCCn1c(C(C#N)=Cc2cccc(O)c2)nc2cc(C)c(C)cc21
CCc1cc(S(N)(=O)=O)n(c2c(C)cc(C)cc2C)n1
CC1(C)OC(=O)C2C(c3cccc(Cl)c3F)C([NH3+])(c3ccc(Cl)cc3F)C(CC3(CO)CCC3)N21
C[NH2+]CC(=O)Nc1cccc2cnccc12
CCN(CCC#N)C(=O)c1cccc(C#CCCO)c1C
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2ccccc12
O=C(CC(NC(=O)c1ccccc1)C(=O)[O-])c1ccc2oc3ccccc3c2c1
CCCc1nc(c2ccc(Cl)cc2Cl)c(N)n1CCC
C[NH+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC(C)(C)C
O=c1c(I)c(CCl)nc2c(Cl)cc(Cl)cn12
CCC(C)NS(=O)(=O)c1ccc(C)c(C[NH2+]C2CC2)c1
CCN(CC)c1cnnc(NCC2CCCO2)n1
CCCC1[NH2+]C(Cc2ccccc2)C(=O)N1CC
Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1n1cccc1
OC(c1ccc(Br)o1)C1CCCCCC1
CCC[NH2+]Cc1cc(COCC(F)(F)C(F)(F)F)c(C)s1
N#CCc1ccc(NC(=O)COC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
COC(=O)CC(=O)Cc1ccccc1C
CC1CCN(C(=O)CSc2nnc(Nc3ccccc3F)s2)CC1
CCCCCCCCCCCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC1OC(CO)C(O)C(O)C1O
C[NH+](C)CCC(CC1OCCc2ccccc21)NN
CCCCOc1nc(N)nc(n2cccn2)n1
CCN(Cc1ccccc1NCC(=O)Nc1ccc(OC)c(Cl)c1)C(C)=O
Nc1cc(c2ccncc2)c(c2ncco2)nc1N
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccccc1)=N2
CNc1nc(c2ccc(SC)cc2)ncc1Br
CC(C)(C)[Si](C)(C)OC(C[NH2+]CCCCCCCCC[NH+]1CCC(OC(=O)Nc2ccccc2c2ccc(O)c(F)c2)CC1)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1
Cc1cc2ccccc2n1Cc1ccoc1C(=O)NN
CCOc1ccccc1NC(=O)c1ccc(OC)c(OC)c1
CC1CNC2=[N+](CCC34CC5CC(CC(C5)C3)C4)C(C3CCCCC3)CN21
N#Cc1cccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c1
NC(=S)NNS(=O)(=O)c1cncc(F)c1
Cc1cccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)NCc5ccc(F)cc5)cc4C)CC3)cc2C)c1
C[NH+](Cc1cc(=O)n2[nH]c(c3ccccc3)nc2n1)C(c1ccccc1)C1CC1
CC(CCc1ccco1)Nc1cccc(C(=O)[O-])c1N
CC(C)(C)OC(=O)C1CCC[NH+]1Cc1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1
COC(=O)C1=C(c2ccc(Cl)cc2)CC(C)(C)CC1
COc1ccc(c2[nH]ncc2C[NH+]2CCC([NH+]3CCCCCC3)C(O)C2)cc1
Cc1ccc(c2csc3nc(SCC(=O)NC(C)C(C)C)n(C)c(=O)c32)cc1C
CCCCCCCCCCCC(=O)OCC12C(=O)NC(=O)C1C1C(C(O)(c3ccccc3)c3ccccn3)=CC2C1=C(c1ccccc1)c1ccccn1
CCN(C(C)=O)c1nc(COC(=O)c2cn(c3ccccc3)nc2c2cccs2)cs1
CCCCCCCCCc1ccccc1OC(C)OC(=O)c1ccccc1C(=O)OC(C)Oc1ccccc1CCCCCCCCC
COc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)Nc2cccc(F)c2)c1
COc1ccc(OC)c(NC(=O)NCCC2OCCCO2)c1
CCCCCCC(O)CN(CC(O)CCCCCC)N1CC[NH+](C)CC1
CNC(=O)c1cccnc1N1CCN(C(=O)c2cc(NC3CCN(c4ccccc4C#N)CC3)c(C)cc2C)CC1
CCOc1ccc(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)cc1
COc1ccc(C2C=CC[NH+](Cc3ccncc3)CC(=O)N2Cc2ccc(F)cc2)cc1
CCSC1CCC(NC(=O)c2ccc(Cl)o2)C1
CC1CCCC[NH+]1CCCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1
CCc1nn(C)c(OCCOC(C)(C)C)c1N
CC1COCCN1c1nc(Cl)nc(NCC(F)(F)F)n1
CCCNC(=O)C(NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccc(F)c2)CC1
CCC(C)C(NS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1nnc(c2cccc(C)c2)s1
Cc1[nH]nc(C(=O)Nc2cccc(Oc3ncccn3)c2)c1[N+](=O)[O-]
CC(CCO)(c1ccc(O)cc1)c1ccccc1O
CSC(=C([NH3+])CCNC(=O)OCc1ccccc1)S(C)=O
CCCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1
CCCCN(C(=O)C(C)[NH2+]C)C(C)CC
CN1CC2CCC(CC1=O)N2C(=O)Cc1c[nH]c(=O)n(C)c1=O
CCC([NH3+])C(Sc1ccccc1Br)c1cccnc1
C=Nc1ccc(N(CC)CCO)cc1C
CC(C)(C)[Si](C)(C)OCC#CCc1ccccc1N
CCC=CC=CC=CC=CC=CCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCCCCC)OC(=O)CCCCCCCC=CC=CC=CC=CCC