Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
C[NH+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)Cc1ccco1
O=c1[nH]c2c(cccc2n2c(=O)[nH]c3ccccc32)o1
Cc1cc(OCc2ccccc2C[NH3+])ccc1C(C)C
N#Cc1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)COc3ccccc3)C2=O)cc1
COCCC(C)(O)C[NH2+]C(C)c1ccccc1O
CCCC1Oc2cc(Cl)ccc2C1[NH2+]CC
Clc1ccc2c(Br)nc(C3CC[NH2+]CC3)n2c1
Cc1cc(c2ccc(C3=CN=CCC3)cc2)ccc1c1c2ccccc2c(c2ccc3ccccc3c2)c2ccccc21
CCNC(=S)N(Cc1ccc(S(N)(=O)=O)cc1)CC(F)(F)F
CCC(C)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)NC(CS)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]
CCCNC(=O)c1ccc(CCC)c(CCl)c1
Cc1cc(Cn2ncc(C(=O)[O-])c2C)on1
Cc1cp(c2ccccc2)c(CC2c3ccccc3-c3ccccc32)c1C
COc1ccc(NCc2ccc(c3ccc(OC)c(Cl)c3)o2)cc1Cl
CNC(c1ccc(C)cc1)C(C)S(=O)c1ccccc1Cl
COC(=O)c1ccc2c(=O)nc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)[nH]c2c1
CCCCCCOCCOCCOC(=O)CCCCCCCCCCOc1ccc(SC)cc1
C=CCC(C[NH2+]CCSc1c(C#N)cc2ccccc2c1C(=O)OC)c1ccc(Cl)c(Cl)c1
CCOC(=O)CCC(=O)CN(C)CC(F)(F)F
CCCSC(=S)C(C)(C)CC(C)(C)CC
Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2c(C)noc2C)CC1
Cc1ccc([S-])cc1C(=O)N1CCOC(C)(C)C1
CCC(C(N)=O)n1c(=O)c2c(nc1c1ccccc1)sc(C)c2c1ccc(F)cc1
CCN(CCC(=O)OC)C(=O)c1c(C)cc(C)cc1C
Cc1ccc(c2ccc(C#N)c(SCCC(=O)N(c3ccccc3)c3ccccc3)n2)cc1
CCOc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2c1CC(CCNC(=O)c1ccccc1O)[NH+](C)C
CCCCCCCCOc1ccc(C(=O)Oc2ccc(OCC#N)cc2)cc1
COc1cc(C)cc(Cl)c1C1CCC[NH2+]1
CCNc1ccc(C(=O)N(CC)Cc2cccs2)cn1
CCCOc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C#N)cc3)C2c2ccccc2C)c1
NC(=N[NH3+])c1nonc1C1N=NN=N1
Cc1cccc(S(=O)(=O)N2CC3C[NH+](C)CC3C2)c1F
O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccc2c(c1)CCC2
CCOC(=O)NC(CNS(=O)(=O)c1ccc(C)c(C(N)=O)c1)CC(C)C
Cc1cc(C)n(c2ccc(C[NH2+]Cc3cccc(OCC(F)(F)F)c3)cn2)n1
CCc1ccc(n2c(=O)[nH]c(NCc3ccccc3)c2c2ccccc2)cc1
Cc1nn(C)c2c1nc(CCCl)n2c1ccc(Br)cc1
[NH3+]Cc1nc2ccccc2n1C1CCS(=O)(=O)C1
O=C(C=Cc1ccccc1F)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
Clc1ccc2c(c1Cl)COC1CC[NH+](Cc3ccccc3)CC21
CC(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1
CCC[NH+](CCN(C)C)Cc1cncc(Br)c1
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1
NN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1Cl
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C
CN(CCO)c1nc(C(F)(F)F)ccc1C(N)=[NH+]O
CCCCNc1ccc(NCC)cn1
Cc1cc(C(N)=[NH2+])nc(Cl)n1
COc1cc(N2CC(C)[NH2+]C(C)C2)cc([N+](=O)[O-])c1
CNC(=O)c1cccc(CCNC(=[NH+]C)N(C)Cc2ccc(N3CCCCC3)cc2)c1
C[NH2+]CC(C)C(=O)Nc1cccc(C(C)OC)c1
CC(NC(=O)C[NH+](C1CC1)C1CCc2ccccc21)C(=O)N1CCCCC1
CC1(C)CCC[NH2+]C1C(=O)N1CC[NH+](C2CCN(c3ccccc3)C2=O)CC1
COCCNC(=O)c1cnc(c2cc(OC)c(OC)c(OC)c2)nc1N(C)Cc1ccccc1
CCS(=O)(=O)Nc1ccc(N=C(c2ccccc2)c2c(O)n(C(C)=O)c3ccc([N+](=O)[O-])cc23)cc1
CC(=O)c1sc(c2ncccc2Cl)nc1C
COc1ccc2c(c1)c(C(=O)C(=O)NC1CCCC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1
Cc1ccc(C(N)=[NH+]c2ccc(S(C)(=O)=O)cc2)cn1
CCc1cccc(CC)c1NC(=O)OCCCc1cccc(Br)c1
CCOC(=O)[N-]C(=O)C(C#N)=CC=Cc1ccc(O)c(O)c1
CCCNc1cc(c2ccccc2)nc(Nc2ccc(F)cc2)n1
CC(C)S(=O)(=O)N1CCC(c2ccn(C)n2)CC1
CC(C)C(C#N)N1CCN(C(=O)C=Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
CCOc1ccc(C=C(C(=O)[O-])C2C3C=CC(C3)C2C(=Cc2ccc(OCC)cc2)C(=O)[O-])cc1
O=C(CSc1nc(c2ccco2)nc2ccccc12)NCc1ccco1
CC(CSc1ccc(F)cc1)C(=O)NC(CC1CC1)C(=O)[O-]
COc1ccc(COC(=O)Cc2csc(N3CCCC3=O)n2)cc1F
C=CCC1(O)c2ccccc2Oc2ccccc21
CC(C)(C)OC(=O)NCCNc1nc(NCC2CCC(CNS(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)nc2ccccc12
CCCNC(=O)CNc1cccc(C(F)(F)F)c1
COc1cc(C=O)ccc1OS(=O)(=O)c1ccccc1
COCC1(CNC(=O)N2CCCC2C2COCCC2(C)O)CCOCC1
O=C1CCCCCC2CCCC=C12
Cc1cc(COC2(C[NH3+])CCCC2)c2ccccc2n1
CC(NOCC(N)=O)c1cc(F)cc(F)c1
C#CCSCCNC(=O)c1ccc(Cl)nc1Cl
CSc1cc(F)cc(c2cc(C(=O)[O-])nn2C)c1F
CC(C)[NH2+]Cc1ncnn1CCS(=O)(=O)C(C)C
CC1(NC(=O)c2ccoc2Br)C[NH2+]C1
O=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(N2CCCCC2)cc1
CCOC(=O)CCc1ccc(I)cc1NC(N)=O
CN(CC1CCOCC1)c1nc(N)nc2sccc12
C[NH+]1C2CCC1CC(N1C(=O)SC(=Cc3ccc4c(cnn4Cc4ccc(F)cc4C(F)(F)F)c3)C1=O)C2
COC(=O)c1sc(c2c[nH+]c3ccc(Br)cn32)cc1OC(C)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1OC(F)F
Cc1ccc(OCC(=O)Nc2nn3c(nnc3c3ccc(C)cc3)s2)cc1
Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(Cl)cc4)cc2)C3=O)cc1
[NH3+]C(Cc1ccccc1)c1nc(C(=O)NC2CCc3ccccc32)co1
CCC(C)NC(=O)C[NH2+]Cc1ccoc1
CCC(CC)C(O)CNc1nc(N)nc(Cl)n1
Cc1ccc(C(=O)N(CC2CCCO2)C2CCSC2)cc1NC(=O)c1ccccc1
CC[NH2+]C(C)CC(=O)Nc1ccc(I)cc1C(=O)[O-]
CC(C)(C)OC(=O)N(CCc1ccc(c2ccc(OCC(=O)[O-])cc2)cc1)CC(O)c1cccc(Cl)c1
C(=Cc1ccccc1)C1=[NH+]c2ccccc2-c2ccccc2N1
[NH3+]Cc1nc(C(=O)NC2CCC(C(F)(F)F)CC2)cs1
CC([NH3+])C(=O)NC1CC(C)C1C
CC(C)C(C)(C)c1cc(C(C)(C)C(C)C)c2cc(OP(Oc3cc4c(C(C)(C)C(C)C)cc(C(C)(C)C(C)C)cc4cc3C(C)(C)C(C)C)Oc3ccccc3S(=O)(=O)c3ccccc3)c(C(C)(C)C(C)C)cc2c1
Fc1ccc(F)c(c2n[nH]c3cnc(c4cn[nH]c4)cc32)c1
Cc1ccccc1CCNc1cc(=O)c1=O
CCC1(C(=O)NS(=O)(=O)C2(C)CC2)C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N2CCCC2C(=O)N1
NC(=[NH+]O)c1cccc(S(=O)(=O)CCN2CCCC2)c1