hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:Methylamine gptkb:CN
gptkb:copper(I)_oxide [Cu]2O
gptkb:CHEMBL692 CC(C)NCC(COC1=CC=CC=C1O)O
gptkb:CH2FCF3 FC(F)(F)C(F)H2
gptkb:5-methoxytryptamine COc1ccc2[nH]cc(CCN)c2c1
gptkb:1,2-diaminobenzene c1cc(c(cc1)N)N
gptkb:4-hydroxytamoxifen CN(C)CCOc1ccc(cc1)/C(=C(/c2ccccc2)c3ccccc3)/O
gptkb:DB00381 CN(C)C(=N)N=C(N)N
gptkb:CHEMBL1231 CC(C)NCC(CO)Oc1ccc(cc1)CC(=O)N
gptkb:CHEMBL3707312 CC1=CC(=O)N(C2=CC=CC=C12)C3=NC=CC(=C3)C(=O)NCCO
gptkb:dimethyl_ketone CC(=O)C
gptkb:CHEMBL413 CC(C)NCC(COC1=CC=CC=C1O)O
gptkb:6-APA_(6-aminopenicillanic_acid) NC1C(=O)N2C(S1)C(C2=O)C(=O)O
gptkb:DB02546 C1=CC(=C(C=C1CCN)O)O
gptkb:Methylone CC(CC1=CC2=C(C=C1)OCO2)NC
gptkb:SCH_52365 CC(C)C[C@@H](NC(=O)C(F)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N)C(=O)O
gptkb:β-mercaptoethylamine gptkb:NCCS
gptkb:myrcene CC(=C)CCC=C(C)C=C
gptkb:PubChem:2519 CC(=O)NC1=CC=C(C=C1)O
gptkb:hexadecylphosphocholine CCCCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)O

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