smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000064390688 205188736 /nfs/dbraw/zinc/18/87/36/205188736.db2.gz VTQQKZOMGKELNV-AVGNSLFASA-N 1 0 375.403 -1.133 1 5 GABFRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000064448689 222070952 /nfs/dbraw/zinc/07/09/52/222070952.db2.gz VTQQKZOMGKELNV-YNEHKIRRSA-N 1 0 375.403 -1.133 1 5 GABFRO