hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:C-21_(drug) CC1(C)C(C1(C)C)C(=O)N2C=CC=CC2
gptkb:4474-91-3 C1CNCC2=CC=CC=C12
gptkb:Naphthalene c1ccc2ccccc2c1
gptkb:Pyrilutamide C1=CC(=CC=C1C2=NC(=NC(=O)N2)C3=CC=C(C=C3)C(F)(F)F)C(=O)N
gptkb:ESI-09 CC1=NC(=C(S1)N2CCOCC2)C3=NC(=NC=N3)NCCC4=CN=CN4
gptkb:mevalonic_acid CC(C)(CO)CC(=O)O
gptkb:(E)-4-Aminobut-2-enoic_acid NCCC=CO
gptkb:CHEMBL2105936 CC1=CC(=O)N(C2=CC=CC=C12)C3=NC4=CC=CC=C4N3CCS(=O)(=O)C
gptkb:Spinraza not applicable (oligonucleotide)
gptkb:DB09052 CC(C)COC(=O)[C@H](NC(=O)[C@@H]1O[C@@](C#N)(CO)[C@H](O)[C@@H]1O)P(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3
gptkb:N-methyl-1-phenylpropan-2-amine CC(CC1=CC=CC=C1)NC
gptkb:DPCPX CCCN1C=NC2=C1N=C(NC2=O)N(CCC)C3CCCC3
gptkb:hexadecanoic_acid CCCCCCCCCCCCCCCC(=O)O
gptkb:Guanine C1=C2C(=O)N=C(N)N2N=CN1
gptkb:BIRB_796 COC1=CC=C(C=C1)C2=NC(=N(C3=CC=C(F)C=C3)C4=CC=CC=C4)C=C2CCO
gptkb:DB06778 CC1=NN(C2=C1C=CC(=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC(=O)O
gptkb:1,4-Butanediol C(CCO)CO
gptkb:norhydrocodone CN1CC[C@]23c4ccc(O)cc4[C@H]2C(=O)C[C@H]3[C@H]1O
gptkb:carnosic_acid CC(C)C1CCC2(C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3O)O)C)C
gptkb:CHEBI:17716 gptkb:C1=NC2=C(N1)N=C(NC2=O)N[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O

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