hasSMILES
1,504
triples
GPTKB property
Alternative names (3)
SMILES
•
has SMILES
•
hasSmiles
Random triples
| Subject |
Object |
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gptkb:2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic_acid
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C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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gptkb:Acetic_acid
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CC(=O)O
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gptkb:hydroxyatrazine
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CCNC1=NC(=NC(=N1)O)Cl
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gptkb:icariin
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COC1=CC(=C2C(=C1)OC(=O)C3=C(C2=O)C=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O
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gptkb:BKM120
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C1COCCN1C2=NC(=NC(=N2)N3CCOCC3)C4=NC=C(C=C4N)C(F)(F)F
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gptkb:CHEBI:66952
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NC1=NC=NC2=C1N=CN2C3CCC(O)=CC3(=O)O
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gptkb:boron_nitride
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B#N
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gptkb:DB04876
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CC(C)C1=NC2=CC(=C(C=C2N1)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5S(=O)(=O)N
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gptkb:1,3,7-trimethylxanthine
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Cn1cnc2c1c(=O)n(C)c(=O)n2C
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gptkb:4291-63-8
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C1=CC(=C(C=C1Br)Br)OBr
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gptkb:DB06151
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CC(C)CN(C(=O)NC(C(=O)NC1CCCN1C(=O)C(Cc2ccccc2)NC(=O)C3CC3)CSC4=NC5=CC=CC=C5S4)C6=CC=CC=C6
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gptkb:Mianserin
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CN1CC2=CC=CC=C2C3=CC=CC=C3N=C1CN4CCCCC4
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gptkb:CHEBI:31344
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C1=NC2=C(N1)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
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gptkb:DB01037
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CN(C)C(=N)N=C(N)N
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gptkb:romidepsin
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CC1CC(C2C(=O)NC(C(=O)N2C1=O)CSC3=CC=CC=C3)NC(=O)C4CC(C(=O)N4)NC(=O)C
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gptkb:Cadaverine
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NCCCCCN
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gptkb:Glycineamide_Ribonucleotide
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C1=NC2=C(N1C(=O)N(C2=O)C3C(C(C(O3)COP(=O)(O)O)O)O)NCC(=O)N
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gptkb:DB08912
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CC(C)COC(=O)[C@H](NC(=O)[C@H](F)P(=O)(OCC1=CN=CN1C)OCC2=CC=CC=C2)OCC3=CN=CN3C
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gptkb:CHEBI:16227
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C(C1C(C(C(C(O1)O)O)O)O)O
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gptkb:3-pentanone
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CCC(=O)CC
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