smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]12CC=C(CO)[C@]1(O)[C@H](O)CC2 14618730 717110599 /nfs/dbraw/zinc/11/05/99/717110599.db2.gz MHCDHCVYFDHGEB-ZDGBYWQASA-N 1 0 186.231 -1.182 1 5 AABFRO C[N+](C)(C)C[C@H](N)CC(N)=O 29233195 717118373 /nfs/dbraw/zinc/11/83/73/717118373.db2.gz REGDYNAILOUUBN-ZCFIWIBFSA-O 1 0 160.241 -1.105 1 5 AABFRO C[N+](C)(C)C[C@@H](N)CC(N)=O 29233188 717118562 /nfs/dbraw/zinc/11/85/62/717118562.db2.gz REGDYNAILOUUBN-LURJTMIESA-O 1 0 160.241 -1.105 1 5 AABFRO