Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
COc1ccccc1NC(=O)C[NH+]1CCC([NH3+])C(C)C1
O=C(Nc1nnc2ccccn12)c1ccc(n2ccnc2)c([N+](=O)[O-])c1
Cc1cc(C)c(n2cnc3c(NCc4ccccc4)cc(C)[nH+]c32)c(C)c1
CC(C)(CC(C)(C)OC(CO)CO)OC(CO)CO
FC(F)(F)c1cccc(N=CC=CC=CC=CNc2cccc(C(F)(F)F)c2)c1
C=CCCCN(C)c1ncc(CO)cc1Cl
CCCCCCCCCCCCCCCCOCC(CN(CCN=O)C(=O)CCCCCCCCCCCCCCC)N=O
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(F)c2)CC1
O=C(CCC1CNC(=O)C2CC(NC(=O)Nc3ccc(F)cc3F)C[NH+]12)NC1CC1
Cn1nccc1C([NH3+])c1ccc(Br)cc1
Oc1ccc(Cl)cc1CN1C[NH+](Cc2cc(Cl)ccc2O)C2CCCCC21
COc1ccccc1SC(C(C)C)C([NH3+])c1ccccc1
CC1(S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)CC1
Cn1cc(CNC2CS(=O)(=O)CC2O)cn1
CC(C)(C)C(C=O)c1cccc(Br)c1
CN(C(=O)c1cccc(OCC(=O)N2CCCCC2)c1)C1CS(=O)(=O)CC1O
CCN(CC)S(=O)(=O)NC(C)(C)C(C)[NH3+]
Cc1cccc2c1N(C(=O)c1ccc(Cl)cc1N)CCC2
CCNc1ccc([N+](=O)[O-])c(NCC2CCC(=O)N2)n1
COc1ccc(C(=O)NC(=Cc2ccc(SC)cc2)C(=O)NCCCn2ccnc2)cc1OC
Fc1cc(c2cncc(C[NH2+]CC3CCCC3)c2)cc2c1n[nH]c2c1nc2ncccc2[nH]1
CC#Cc1cc(Cl)ccc1Cn1nc(C(=O)[O-])c2ccccc21
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])CO)C(=O)NC(CCC[NH+]=C(N)N)C(N)=O
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C1C=CCC1O
CCC([NH3+])C(O)c1cc(F)ccc1O
Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
Cc1nc(NC(=O)c2ccc3c(c2)NC(=O)CS3)sc1Cc1ccccc1Cl
[C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1cccc2nsnc12
Cc1cc2c(cc1Cl)C(=O)CC1(CCN(C(=O)c3cccs3)CC1)O2
CCCCC(Br)C(=O)Nc1nc2ccc(OC(C)COC)cc2s1
Cc1cc2c(Cl)c(Cl)ccc2[nH]1
Fc1ccc(N2CCN(c3ncn(Cc4cnc(C(F)(F)F)s4)n3)CC2)cc1
CCC[NH+](C)CCCCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
CC(C)NC(=NCCF)N[NH3+]
CC(Cl)CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-]
CCOC(=O)NCCNC(=O)N1CCN(C=O)CC1
C[NH+]=C(NCc1sccc1C)N1CCCC1
CC([NH3+])c1cncn1CC[NH+](C)C(C)C
Cc1cc(C)c(C)c(OCCCCCCCCCS)c1
CC(C)(C)CCC1CCC[NH+](C(C)(C)C)CC1
Cc1cccc(N(c2ccccc2)c2ccc(c3ccc(N(c4ccc(c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5)cc4)c4cccc(C)c4)cc3)cc2)c1
O=[N+]([O-])c1ccc(F)c(Cl)[n+]1[O-]
CC(CN1CCCC1)[NH2+]CCc1ccc(F)c(F)c1
COc1cc(C=CC(=O)OCC2OC(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3c3ccc(O)c(O)c3)C(OC3OCC(O)C(O)C3O)C(O)C2O)cc(OC)c1O
O=C([O-])C1CCCN1C(=O)C(Cc1cccnc1)=NOC1CCCCC1
CC1CCCC(n2c(SCC(=O)NC3(C#N)CCCC3)nc3ccccc3c2=O)C1C
Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1
C#CCOc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)N=C1c1ccccc1
CC(C)C[NH+]=C(NC(=O)c1ccc(Cl)cc1)NC1CC(c2ccc(F)cc2)[NH2+]N1
CCCCCCCCCCCCCCCCCCn1c2nc(=O)n(C)c(=O)c-2nc2cc(C)c(C)cc21
CNc1cn2ccnc2c(Sc2nc(=O)cc(N)[nH]2)n1
COCCN(CC1CCC[NH2+]1)c1ncccc1F
CCC1CC1[NH2+]CC1(C[NH3+])CCCCC1
COCCc1nn(C)c(N)c1c1c(F)cccc1Cl
COc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1
COc1cc2ccc(C)nc2cc1Br
CCc1c(C)nc(c2cccc(C)c2)nc1N1CCN(C(=O)C(C)(C)C)CC1
COOCc1ccc(C(=O)NCCC(C)(C)C)cc1
Cc1cc2c(cc1OCCCCCC[NH+]1CCN(C(=O)c3nc(c4ccc(C#N)cc4)n4ccccc34)CC1)N=CC1CCCN1C2=O
Cc1ccccc1Cn1c(C(=O)Nc2nc(c3ccc(Br)cc3)cs2)cc2occc21
COc1ccc(C(=O)NCCc2ccccc2O)cc1
COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1
CC1CC(NC(=O)NC2CC(O)C2(C)C)c2nccn21
COc1cc(C(=O)C2CCCC2)c([N+](=O)[O-])cc1OC
[NH3+]C1CCCCC1Nc1ncccc1Br
CNS(=O)(=O)c1ccccc1NCC(OC)OC
C[NH2+]C(Cc1cccc(Cl)c1)c1cc(Cl)c(Br)cc1F
CC1C[NH+](CC(C)(C)O)CCN1c1c(F)cc([N+](=O)[O-])cc1F
O=S(=O)(NC1C[NH+]2CCC1CC2)c1cccnc1Cl
C[NH2+]CCC1CCCCN1C(=O)c1ccncc1Cl
CC(=O)OCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)[O-]
CC(C)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1
CC(C)(C)OC(=O)N1C2CC(CC2F)C1C[NH3+]
CCC1CC1(O)c1cc2cccc(Br)c2o1
Cc1ccccc1NC(=O)c1ccc(C)c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccccc3)C(C)C)CC2)c1
CSCCc1nc2ncnc-2c2nc(c3ccc(C(F)(F)F)cc3)[nH]n12
CC(C(=O)N(Cc1ccco1)c1ccccc1F)S(C)(=O)=O
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCC([NH2+]Cc1cccnc1)C2
CNC(=O)C(C)(C)CNC(NCC(c1cccc(OC)c1)[NH+]1CCCC1)=[NH+]C
Cc1ccc(Nc2nc(N)nc(CSCC(=O)Nc3cccc(C)c3)n2)cc1
CCOc1ccc(N2CC(c3nc(c4ccccc4Cl)no3)CC2=O)cc1
CC(C)(C)OCC(NS(=O)(=O)Cc1ccccc1)C(=O)NC(CO)C(=O)NCc1ccc(C(N)=[NH2+])cc1
CNC(=O)C(CC(C)CO)N(C(=O)CCCCS)C(C)(C)C
CC(Cn1cc(Cl)cn1)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1
CCCC(COC)[NH2+]C1COC(C)(C)OC1
CC(=O)OC(C=C(C)C1OCC(C)(C)CO1)OC(C)=O
CCc1ccc(C(C[NH3+])CC2COC2)cc1
[O-]c1c(F)cc(C[NH2+]CCSCCCO)cc1F
c1ccc2c(c1)cc(c1ccc(c3nc4c5ccccc5c5ccccc5c4o3)cc1)nc2c1ccc(c2nc3c4ccccc4c4ccccc4c3o2)cc1
CC1(C)CC(NC(=O)C2CCCC2C[NH3+])c2ccccc2O1
CNC(C#N)(CN1CCCC1C[NH+](C)C)c1ccccc1
Cn1ccc(C(NN)C2(C)CCCCO2)n1
C=C(OC(=O)N(CC)CC)c1ccc2cc(OC)ccc2c1
COc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3cccs3)C2c2ccccc2F)c(C)c1
CCCC(CC)CSCC(CC)CCC
O=C(C1CCCN1C(=O)CC12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2ccccc2)CC1
COc1ccccc1NCCC(=O)Nc1ccccc1C
COC(=O)NC(C(=O)N1C(c2[nH]c(c3ccc(C#Cc4ccc(c5c[nH+]c(C6CC7CC7N6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4C)c(C)c3)c[nH+]2)CC2CC21)C(C)C
COc1ccc(c2[nH]ncc2C[NH+](C)CCC(C)O)cc1
COc1ccccc1c1csc(n2cnc3ccccc32)n1