hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:taselisib CC1=CC(=C(C=C1N2C=NC(=NC2N3CCOCC3)N4CCOCC4)N5CCN(CC5)S(=O)(=O)C)C(=O)OC(F)(F)F
gptkb:butan-2-one CC(=O)C
gptkb:piperine O=C(/C=C/C=C/C1=CC2=C(C=C1)OCO2)N3CCCCC3
gptkb:UHOVQNZJYSORNB-UHFFFAOYSA-N O
gptkb:CHEMBL2105757 CC1=CC(=O)N(C2=CC=CC=C12)C3=NC4=CC=CC=C4S3C(=O)N
gptkb:stiripentol CC(C1=CC=CC=C1O)(C2=CC=CC=C2O)CO
gptkb:CHEMBL1070772 CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc2ccc(cc2)OC
gptkb:DB01590 CC(C)N1C(=O)NC(C(=O)N(C2CC2)C3=CC=CC=C3)C1=O
gptkb:UNC0638 CNc1cc(NC(=O)c2ccc(NCCCN(C)C)cc2)ncn1
gptkb:CP-690,550 CC1=CC(=NC=N1)N2CCN(CC2)C3=NC=NC(=O)N3C
gptkb:Nisoxetine COC1=CC=CC=C1OCC2=CC=CC=C2N
gptkb:CHEMBL66934 COC1=CC=CC=C1OCC(CN(C)C)C2=CC=CC=C2
gptkb:2-chloro-2'-deoxyadenosine Clc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
gptkb:nelotanserin CN1CCC(CC1)N(C)CC(C2=CC=C(F)C=C2)C3=CC4=C(C=C3)OCCO4
gptkb:4474-91-3 C1CNCC2=CC=CC=C12
gptkb:anandamide CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
gptkb:Semaxanib Cc1cc(nc1)C=C2C=CC(=CC2)C(=O)Nc3ccccn3
gptkb:Penicillin_G CC1(C)S[C@@H]2[C@H](NC(=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O
gptkb:NSS-806 C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC=CC=C3NC(=O)C4=CC=CC=N4
gptkb:Gentiopicroside C1C(C2C(C(C1O)O)OC(O2)COC3=CC(=O)OC4C3CCC4)O

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