hasSMILES

1,509 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:Anthracene c1ccc2cc3ccccc3cc2c1
gptkb:CHEMBL1237045 CC1=CC(=O)N(C)C(=C1)C2=CC=CC=C2NC(=O)C3=CN=CC=C3
gptkb:WAL-604 COc1cc(ccc1)CCCC(=O)Nc2ccc(cc2)OC
gptkb:CHEMBL1405 CC(C)NCC(COC1=CC=CC=C1O)O
gptkb:2,3-dihydrofuran C1C=COC1
gptkb:N-hydroxy-N'-phenyloctanediamide C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
gptkb:Theophylline Cn1cnc2c1c(=O)n(C)c(=O)n2
gptkb:UNC0638 CNc1cc(NC(=O)c2ccc(NCCCN(C)C)cc2)ncn1
gptkb:Z-endoxifen CC/C(=C(/C1=CC=CC=C1)C2=CC=C(C=C2)O)/C3=CC=CC=N3
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:Selumetinib COc1cc2c(cc1Cl)nc(nc2Br)N[C@@H](CO)C(=O)N
gptkb:vinblastine CC[C@@H]1CN2CC[C@]3(C)[C@H]4CC[C@@]5(O)C(=O)N(C)C(=O)[C@H]6C[C@@H](C(=O)OC)N(C)C(=O)[C@H]6[C@H]5[C@H]4[C@H]3[C@H]2[C@H]1C
gptkb:baicalein C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
gptkb:69-53-4 C1=CC(=C(C=C1CCN)O)O
gptkb:5F6-A O=C(NC1C2CC3CC(C2)CC1C3)C4=NN(C5=CC=CC=C54)CCCCCF
gptkb:sulfanilic_acid C1=CC(=CC=C1S(=O)(=O)O)N
gptkb:desmethylcitalopram CN(C)CCC1=CC2=C(C=C1)C(OC2)(C3=CC=C(C=C3)F)C#N
gptkb:theophylline Cn1cnc2c1c(=O)n(C)c(=O)n2
gptkb:CHEMBL1213106 CC1=CC(=O)N(C)C(=C1)C2=CC=CC=C2S(=O)(=O)N3CCNCC3
gptkb:DB03128 Cn1cnc2c1c(=O)n(C)c(=O)n2C