Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
N#Cc1c(COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cn2ccccc12
C[NH2+]Cc1cc(c2ccc(Cl)cc2)nn(C)c1=O
CC1(C)C(=O)N(c2ccc(Oc3ccccc3)cc2)CC1[NH+]1CCN(C(=O)c2nccs2)CC1
O=C(NCCCOCC1CC1)c1ccc(n2ccnc2)cc1
CCOc1ccccc1Nc1ncc(C(=O)Nc2ccc(C)c(C)c2)cn1
CC1CC(=O)C2CC3OC(C)(C)OC3CC23OC(O)(c2ccoc2)CC13C
C[NH+]1CCN(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1
Cc1cc(c2ccnc(F)c2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccn(C)c12
Cn1c(c2cccc(P(c3ccccc3)c3ccccc3)c2)cc[n+]1[Si](C)(C)C
COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C)cc2F)c1
Cc1cc(Cl)ccc1N(C)C(=O)c1snnc1C
CC(C)CC1[NH2+]CN(C2CCC(C)C2C)C1=O
OB(O)CC=CCOc1ccccc1
O=C(Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1Cl
CC(c1nc2ccccc2s1)N(C)C(=O)C[NH+]1CCc2ccccc2C1
CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)s1
C=CCOC(=O)N1CCC(C(C)(C)C)C1CO[Si](C)C
CCOC(=O)CNC(=O)CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1
CC1CC([NH3+])CN(Cc2cn(C)nc2C(C)(C)C)C1
Cc1cnc(CSCC(C)(C)[NH3+])c(C)c1[N+](=O)[O-]
Cc1ccc(c2nc(c3cn[nH]c3N)sc2C)cc1
COC(=O)C1Cc2ccc(cc2)Oc2cc(ccc2OCc2ccccc2)CC(N(C)C(=O)C(C)NC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C)C(=O)N1C
CCC(=O)N1CCC(NC(NCCc2ccc(C(F)(F)F)cc2)=[NH+]C)C1
[NH3+]CC1CCn2nc3c(c2C(=O)N1)CCc1cnccc1-3
Cc1ccc(O)c(NC(=O)c2ccc(c3cc(=O)c4cc(C)ccc4o3)cc2)c1
CC(Cl)c1nc2cc(F)c(F)cc2n1Cc1ccccc1
COc1ccc(c2ncc(C(=O)Nc3ccc(NC(C)=O)cc3)c(C)n2)cc1
O=C1CC2(Cl)C[NH+](Cc3ccccc3)CCN2c2ccccc2N1
COc1ccc(C=Cc2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
Cc1[nH]ncc1CNC(=O)NCC1CCN(c2ccc(OC(F)(F)F)cc2)C1
COc1ccc(CC2NC(=O)C(CC(C)C)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cc(C)n(C)n3)CC(C(C)C)NC(=O)C(C)NC2=O)cc1
CSc1cc(C(=O)N(C)CCCC(=O)[O-])c(Cl)cc1Cl
Cc1c(CNC(=O)CCC(=O)OC(C)(C)C)cnn1C
CCCC([NH2+]CCCS(=O)(=O)C(C)C)C(=O)[O-]
C=C(O)C([NH3+])CSNC(=O)c1ccccc1
CCCN=C1C=C2C=CC3C(CCC4(C)C(=O)CCC34)C2=CC1=O
Cc1c(N)cc(C(=O)[O-])c(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c1C
C=CCN(CC)S(=O)(=O)CC
COc1cccc(Cl)c1C[NH+]1CCC(C(=O)[O-])CC1C
CC(C)CC(C(=O)NO)N(C)C(=O)C1(c2cn(C)cn2)CC1
Cc1ccc(n2cc(C[NH3+])cn2)cc1
Cc1ccc(C([NH3+])c2nnc(Cn3cnnn3)o2)cc1
CC(C)[NH+]1CCN(c2ncc3c(=O)c(C(=O)NCC[NH+]4CCCC4)c4sc5cc(Cl)ccc5n4c3n2)CC1
CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(OC)cc1OC
CC=CCCCN(Cc1ccccc1)C(=O)OC(C)(C)C
CC1CCCCCC1[NH2+]C1CCCC(C(=O)[O-])C1
COc1ccc(OC)c(Nc2nc(C)cc(NCc3ccc4c(c3)OCO4)n2)c1
CN1CCN(C(=O)c2ccc(C3CC3)[nH]c2=O)c2ccccc21
COC(C)(C[NH3+])c1ccn(C)c1
O=C(C1CC(N2CCN(c3ncccn3)CC2)C[NH2+]1)N1CC(F)(F)C(F)(F)C1
O=S(=O)(NCc1ccncc1)NC1CC1
COc1ccccc1CN(C)C(=O)C(C)Oc1ccc(Cl)cc1Br
COc1ccc(C2([NH2+]C3CCC(C(=O)N4CCN(c5nc6ccc(F)cc6o5)CC4)C(c4ccsc4)C3)CCC2)cc1
CCC(Cc1ccccc1)Nc1cc(Br)c(F)cc1F
CC(=O)c1ccc(Oc2c3ccccc3nc3occ(Cl)c23)cc1
CCNC(=NCC(c1ccco1)[NH+](C)C)N1CCN(C(C)C(F)(F)F)CC1
Cc1cc(C(C[NH3+])N2CCC(C)CC2C)c(C)s1
CCCCNc1nc(NN)nc(OCC(F)(F)F)n1
Cc1[nH]c2ccc(C(=O)NC3(C)CC[NH2+]C3)cc2c1C
Cc1cc(=O)nc(n2ncc(C(=O)N3CCc4[nH]ncc4C3)c2C)[nH]1
CSCC(C)[NH2+]C(C)c1cccc2ccccc12
CC(C)C1CC([NH2+]Cc2cccc(C(F)(F)F)c2)CCO1
CC(=O)NC1C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC1(O)[Se]
[NH3+]Cc1ccc(CC(=O)NCCc2ccncc2)cc1
CNc1c(Cl)cc(C(=O)NCc2ncc[nH]2)cc1[N+](=O)[O-]
Cc1cc(COc2ccc([B-](F)(F)F)cc2C)n(C)n1
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2ccc(c3ccccc3)cc2)CC1
COc1c(C)cc(C)cc1F
C=CCNC(=S)NN=Cc1cc(I)c(OCCOc2ccccc2C)c(OC)c1
CNc1[nH+]c(C)cn1c1ccccc1Cl
COc1ccccc1C[NH2+]C1C(c2ccc(F)cc2)CCN(CCCC=O)C1c1ccccc1
Cc1ccccc1C1(C)CC(O)CCO1
C=CC(Cc1ccccc1Cl)NN
CCC(=O)OC1(C(C)=O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
COc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
CCC[NH2+]C(Cc1ccc(O)cc1)CC(C)C
CCOC(=O)c1ccc(NC(=O)N2CCCC(O)C2)cc1
COCC[NH2+]CC1(O)CCc2ccc(C)cc21
C[NH2+]CC1CCN(C(=O)c2cc(c3ccccc3)nc3c2c(C)nn3C)CC1
CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1
COCCN(CC(C)C)c1cc[nH+]c(C#N)c1
CCCCC#CC1([Si](C)(C)C(C)(C)C)SCCCS1
CCN(c1cc(F)c(C(COC)CC(=O)[O-])cc1Nc1ccc(C#N)c(F)c1)C1CCOCC1
N#Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(F)cc3)C2=O)c1
Cc1nn(c2cccnc2)c(C)c1C(C)C
[NH3+]CCCCC(CC(=O)C1CC(OCc2ccc(Cl)cc2)CN1C(=O)Cc1csc(C2CCC[NH2+]C2)n1)C(=O)c1nc2ccccc2o1
[NH3+]C(c1nc([O-])cc(=O)[nH]1)C1C2CC3CC(C2)CC1C3
COc1cccc(C=CC(=O)OCC(=O)NCc2cccc(OC)c2)c1
CC(=O)NC(C)C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1
O=C(Cc1n[nH]c(=O)c2c1NCCC2)NCC[NH+]1CCOCC1
[NH3+]Cc1ccc(NC(=O)c2ccncc2O)c(F)c1
COc1c(C)cccc1C([NH3+])C(C)C
C=C(C)COCCNC1=[NH+]CCCCC1
CC(C(=O)NC(C)(C)C)C(C#N)(c1ccccc1)c1ccccc1
CC(=O)OC1C2C3C(O)C(=O)C4CC5OC5C(OC(C)=O)C4(C)C3CC(OC(C)=O)C2(C)C2C(C)C3OC34OC(=O)C(C)(O)C4(C)C12
COC(=O)NC(C(=O)[O-])C1CC2C=CCC(C1)O2
Clc1ncncc1c1cccnc1
BrCCCCCOCC1CO1
CCc1cc(Nc2cc(=O)n(CCCC[NH+]3CCN(c4c(F)cc5c(=O)c(C(=O)[O-])cn(C6CC6)c5c4F)CC3CO)c(=O)[nH]2)ccc1C
CC(=O)c1c[nH+]c2ccc3cccc(F)c3n12