hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:CHEMBL1200968 CNc1cc(ccc1[N+](=O)[O-])S(=O)(=O)Nc2ccc(cc2)OC
gptkb:Dihydrokavain COC1=CC(=O)OC(C1)=CC2=CC=CC=C2CC
gptkb:DB08890 CCOC(=O)C(=NOC(=O)C1=CC=CC=C1)N(C)C2=NC3=CC=CC=C3N2C4=CC=CC=C4
gptkb:VRC-353 CC1=C(C(=CC=C1)NC2=NC(=NC=C2C3=CC=CC=N3)C(=O)N)C
gptkb:SKF-38393 C1CNCC2=CC(=C(C=C21)O)O
gptkb:ChEMBL1226 CC(C)NCC(CO)Oc1ccc(cc1)CC(=O)N
gptkb:propan-2-ol CC(O)C
gptkb:XLYOFNOQVPJJNP-UHFFFAOYSA-N gptkb:CCO
gptkb:487-11-6 CN1C=NC2=C1C(=O)N(C(=O)N2C)C
gptkb:CHEBI:25017 c1ccccc1
gptkb:2-amino-4-methylpentanoic_acid CC(C)CC(N)C(=O)O
gptkb:norcocaine CN1C2CCC1C(C2)OC(=O)C3=CC=CC=C3
gptkb:boron_nitride B#N
gptkb:CHEMBL941 CC(C)NCC(CO)Oc1ccc(cc1)CC(=O)N
gptkb:5-azacytidine C1=NC(=O)NC(=N1)N2C=NC(=NC2=O)N
gptkb:DB13928 CC(C)[C@@H](NC(=O)[C@@H]1O[C@]([C@@H](O)[C@H](COP(=O)(O)O)[C@@H]1O)(C)O)C#N
gptkb:belinostat CC(=O)Nc1ccc(cc1)S(=O)(=O)N=Cc2ccco2
gptkb:R115777 C1=CC=C(C=C1)C2=NC3=C(N2)C=CC(=C3)C(=O)NCC4=NC5=CC=CC=C5N4C6=CC=CC=C6.Cl.Cl
gptkb:3,4-methylenedioxy-N-ethylamphetamine CCNC(CC1=CC2=C(C=C1)OCO2)C
gptkb:1-acetyl-1H-imidazole CC(=O)n1ccnc1

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