Datasets:
Julietanku
/
DrAG

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feature_name_1.y
string
Ligand
string
Ligand ID
float64
SMILES
string
Target UniProt ID
string
EValue.y
float64
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_000903
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_001241
5-hydroxytryptamine
5
NCCc1c[nH]c2c1cc(O)cc2
Q7Z2H8
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O54898
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0
B9J08_003401
pimozide
90
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
O95180
0