Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CCOC1C(O)C(CO)OC(OCc2ccccc2)C12CC2
O=NC1CC(CCC[NH+]2CCN(c3ccc(F)cc3)CC2)Sc2ccccc21
Cc1ccc2c(c1)nc(c1ccc(c3ccc4ccoc4c3)cc1)n2CC1CCN(C(=O)C2CC2)C1
CC1(C)CN(c2ccc(C(F)(F)F)cc2F)CC(CCl)O1
CC(=O)OCC1OC(OCC=CCOC2OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O
OCc1ccn(c2cccc(F)c2F)n1
Cc1nc2ccc(NC(=O)c3cc(C4CC4)nc4ccccc34)cc2s1
COc1cc(N2C(=O)C(Cl)=C(Nc3ccccc3C#N)C2=O)c(OC)cc1Cl
C#CC(C)(C)NC(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
c1ccc2c(c1)oc1cc3c4c(c12)Oc1cnccc1N4c1ccncc1O3
COc1ccc(NC(=O)C(c2cccc(C)c2)N(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C2CC2)cc1
O=C(NC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1cccc(Cl)c1
CC1(C)CC2CC(C)(CN2C(=O)NCC2(CS(C)(=O)=O)CCC2)C1
CS(=O)(=O)CC(=O)c1c[nH]c2ccc(Br)cc12
Cn1cc(S(=O)(=O)C(C)(F)C2CCN(C(=O)[O-])CC2)c(C(F)F)n1
Cc1ccc(C(C)[NH2+]CCC(C)O)cc1
N#Cc1ccc(F)c(F)c1Cl
Cc1ccc(C2(C(=O)N=O)CC[NH+](Cc3ccccc3)CC2)cc1
C[NH+](CCCCCO)CC1COC2(CCCC2)O1
COC(=O)C(C)(CC(C)[NH+](C)C1CCOCC1)[NH2+]C(C)C
Cc1cc(C([NH3+])CCC2CCCC2)c(C)s1
O=C(CCC(O)CNC(=O)C(CC(F)(F)CC1CC1)NCC(F)(F)Oc1ccc(F)cc1)NC1CC1
CCC(C)C(C(=O)Nc1ccc(OC)cc1)N1C(=O)c2ccccc2C1=O
CCOCc1nc2cnc3cccnc3c2n1CC1CCOCC1
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(c2cn3cccnc3[nH+]2)c1
CC1(C)C([NH2+]C(c2ccc(Cl)cc2)C2CC2)C1(C)C
CCNC(=O)COc1ccc(C[NH+]=C(NCC)NCc2ccccc2)cc1OC
CCOc1ccc(c2nn(C)c(CC(=O)[O-])c2Br)cc1
COc1ccc(CNC(=O)CCN(C(C)=O)c2c(C)cc(C)cc2C)cc1OC
COc1cccc2cc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)oc12
CCCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C
CC(Sc1cccc(NC(=O)C(=Cc2ccccc2[N+](=O)[O-])NC(=O)c2ccccc2)c1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1
COc1cc(C)c(C([O-])=C2C(=O)C(=O)N(CCCOC(C)C)C2c2ccccc2F)cc1C(C)C
COCc1cccc(NC(C)c2ccc(O)cc2F)c1
CCC1(CC)NC(=O)N(CC(=O)NC(C)c2cc(F)c(Cl)cc2Cl)C1=O
[C-]#[N+]c1c(N)nc(SCc2nc(c3ccc(C(=O)OC)cc3)oc2C)c(C#N)c1c1ccc(OCCO)cc1
CCOCCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C([NH+]2CCCC2)C1=O
CCC[NH2+]C(c1csc(Br)c1)c1cnccc1C(F)(F)F
CC([NH3+])c1noc(c2cccs2)n1
COc1cccc(c2nc3c(Cl)cccn3c2N)c1OC
C[NH2+]C1(CC(=O)c2ccnn2C)CCCCC1
C1=C[NH+]2NC(N=c3ccn4sncc4c3)=NC2=C(c2ccccc2c2ccccc2)N1
Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)C(C)OC(=O)N3CC(F)F)cc1
CN(C(=O)c1ccc(c2ccc(NS(C)(=O)=O)cc2)cc1)C1CCN(C(=O)N2CCC([NH2+]CCCc3ccccc3)C2)C1
CC1(c2cccc(C(=O)N3CCC(OCC4CCCC4)CC3)c2)NC(=O)NC1=O
CC(C)(CNC(=O)c1cccc(=O)[nH]1)c1cccs1
O=C(Nc1ccccn1)c1ccccc1OCc1ccc(F)cc1
CCc1ccc(NC(=O)c2cncc(C(=O)Nc3ccccc3CC)c2)cc1
C#CCOc1ccccc1C[NH2+]CCOCCOC
Cc1ccc(NC(=O)c2cc(NCc3ccco3)ncn2)cc1Br
O=c1[nH]ccn1C1(CO)CC1
Cc1ccc(c2nc(N3CCCC3C)nc3c2CC[NH2+]CC3)cc1
CCN(C(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)c1cc(C)ccc1C
Cc1cccc(C)c1CC(NN)c1c(C)cccc1C
Cc1ccccc1c1c(C)nn(CC[NH3+])c1C
CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C)o1
CC(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(N)=O
O=C([O-])CCCCCCCNC(=O)c1cc(c2ccc(F)cc2)n[nH]1
Nc1c(Nc2cccc(Cl)c2)ncnc1OC1CCCCC1
Cc1cc(C=C2SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(C)n1c1cccc(C(F)(F)F)c1
CCCCCC(C)[NH2+]C(c1ccc(Cl)cc1)C1CC1
CSCCCC(C[NH3+])N(C)CCC(C)C
CCCSc1[nH+]cc(CC(NC(=O)CCC)C(=O)[O-])n1Cc1ccccc1Cl
O=c1c2n[nH][nH]c-2nc2ccc(Cl)cc12
Cc1[nH]c2ccc(OCCOCCOCCS)cc2c1CC[NH3+]
NC(=O)C1CCN(C(=O)CSCc2coc(c3ccccc3)n2)CC1
CCCCCCCC(C)(O)CC1CC1
CC[NH2+]CC1CCC(C[NH+]2CCCC2C2CCCC2)O1
C=C1C(=O)C23CC(=O)C4C(C)(C)C(O)CC(OC(C)=O)C4(C)C2C(OC(C)=O)CC1C3OC(C)=O
c1cncc(CCCOc2ccc(c3ccc(OCCC[NH+]4CCOCC4)cc3)cc2)c1
COCc1noc(C(C)SCc2ccco2)n1
CC[NH+](CC)C(C)CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
CC(C)(CO)C(O)C(=O)NCCC(=O)NCC1CC1
CSc1nnc(c2ccccc2)c(=O)n1c1ccccc1
CC[Si](CC)(CC)[Si](OC(CC(C)=O)C1CCCCC1)([Si](CC)(CC)CC)[Si](CC)(CC)CC
NC(=O)C(C1=[NH+]CCC(C2CC[NH2+]CC2)N1)=C([NH3+])c1ccc(Oc2ccccc2)cc1
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CCCC1(C)C
[NH3+]CC1CCC(C(=O)NCC2CCCC2)CC1
Cc1ccc(F)cc1C([NH3+])C1CCOC2(CCCCC2)C1
O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc(COc2cccc(Cl)c2)cc1
O=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCN(c2ccc(O)cc2F)C(=O)C1
O=C(CC(F)(F)F)N1CCCC2C[NH2+]CC21
CC1CC(O)CN1C(=O)NC1CCN(C(=O)Nc2ccccc2)C1
Cc1ccc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1C
O=C(NCc1cccc(C(F)(F)F)c1)c1coc(c2ccc(Cl)c(Cl)c2)n1
CC(=O)c1c[nH]c(C(=O)OC(C)C(N)=O)c1
CCC1CN(CC(=O)NC)c2cc(N)ccc2N1C
COC(=O)C1CC(C2CC[NH2+]C2)C[NH2+]1
CN(CC[NH+](C)C)c1cc(c2ccc3c(c2)C(=O)CC3)c2nc[nH]c2c1C(N)=O
CC(O)CNC(=O)C=Cc1cccc(C(F)(F)F)c1
COc1ccc(NC(=O)NCC2CCC(O)CC2)cc1
O=C(NC1CCCC1)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1
CCCCC=CCCCOC(=O)CCC(=O)OCCCCCCCCCCC
CC1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(c3ccncc3)n2C2CC2)C1=O
COCCCS(=O)(=O)Nc1ccnc(Cl)c1
Cc1ccc(Cn2cc(C=O)c(C3CCCC3)n2)cc1
Cc1ccc(NC(=O)C[NH+]2CCC(C)(F)C2)cc1
CCc1cccc(OCCn2cc([N+](=O)[O-])c(=O)[nH]c2=O)c1
O=C(COc1ccc(Cl)cc1)NCCn1ncc2c(NCc3cccs3)ncnc21