smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CON=[N+](O)[C@@H](Cc1ccccc1F)N([O-])N=[O+]C ZINC000245238574 412954310 /nfs/dbraw/zinc/95/43/10/412954310.db2.gz UQPGDHMPKMVQPF-XOUSXDNGSA-N 1 3 272.236 1.742 40 10 CDCBHO CON=[N+](O)[C@H](Cc1ccccc1F)N([O-])N=[O+]C ZINC000245238573 412954670 /nfs/dbraw/zinc/95/46/70/412954670.db2.gz UQPGDHMPKMVQPF-UEMSHRIVSA-N 1 3 272.236 1.742 40 10 CDCBHO