smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1[C@@H]2[C@]3(O)[C@@H](OC)[C@H]4[C@]2([C@@H]2C[C@H]5[C@H](O)[C@@H]2[C@]3(O)C[C@@H]5OC)[C@@H]2CC[C@@]4(C)[C@H]1O2 ZINC000095911553 291174703 /nfs/dbraw/zinc/17/47/03/291174703.db2.gz AWWAQKSURZEXBW-WMHUXUJPSA-N 1 2 421.534 0.354 1 0 biogenic,in-vitro HCAFLO CC[N@@H+]1[C@@H]2[C@]3(O)[C@@H](OC)[C@H]4[C@]2([C@@H]2C[C@H]5[C@H](O)[C@@H]2[C@]3(O)C[C@@H]5OC)[C@@H]2CC[C@@]4(C)[C@H]1O2 ZINC000095911553 291174700 /nfs/dbraw/zinc/17/47/00/291174700.db2.gz AWWAQKSURZEXBW-WMHUXUJPSA-N 1 2 421.534 0.354 1 0 biogenic,in-vitro HCAFLO