hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:CHClF2 C(F)(F)Cl
gptkb:3,4-methylenedioxy-N-ethylamphetamine CCNC(CC1=CC2=C(C=C1)OCO2)C
gptkb:D-alanine C[C@H](N)C(=O)O
gptkb:Lidocaine CCN(CC)CC(=O)Nc1c(C)cccc1C
gptkb:A-831 CC(CC1=CC2=C(C=C1)OCO2)(N)C3=CC=CC=C3
gptkb:105816-04-4 N#Cc1ccc(cc1)C(=N/n2cccn2)c3ccc(cc3)C#N
gptkb:strontium_oxide [Sr]=O
gptkb:4-amino-1-β-D-arabinofuranosyl-2(1H)-pyrimidinone C1=NC(=NC(=O)N1)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
gptkb:HUP-2 CC1C2=CC=CC=C2N(C)C3CC4C(C3C1)N(C)C=C4O
gptkb:120-83-2 Clc1ccc(cc1Cl)C=O
gptkb:CHEMBL1201562 CN1C=CC2=C1C=CC(=C2)C3=CC(=O)N(C4=CC(=C(C=C4)Cl)Cl)C3=O
gptkb:triphenyl_phosphite O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
gptkb:162045-06-9 CN(C)CCNC1=CC(=C(C=C1OC)NC2=NC=CC(=C2)C3=CN(C4=CC=CC=C34)C)C=O
gptkb:ChEMBL43002 CC1=CC2=C(C=C1)N=C(N2CC3=CC=CC=C3)C(=O)NCC(=O)O
gptkb:acetylandromedol CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CCC34)O
gptkb:104-46-1 C=CC1=CC(=C(C=C1)O)OC
gptkb:para-P COC1=CC=C(C=C1)OC
gptkb:C-21_(drug) CC1(C)C(C1(C)C)C(=O)N2C=CC=CC2
gptkb:DB12010 CC(C)NCC(COC1=CC=CC=C1C(=O)N)O
gptkb:JDTic CC1CCN(CC1C2=CC(=CC=C2)O)C[C@@H](C(=O)N[C@@H]3CCc4cc(O)ccc4C3)C

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