smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CC[N+]4(CCl)CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 ZINC000197879615 717158773 /nfs/dbraw/zinc/15/87/73/717158773.db2.gz UIBOCRJJYNMZLO-SSTLWKPWSA-N 1 0 384.880 2.144 1 50 GEGFRO