smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]([NH3+])CC[C@@H](NC(N)=[NH2+])[N+](=O)[O-] ZINC000141293035 345840781 /nfs/dbraw/zinc/84/07/81/345840781.db2.gz ZNNMGBHOPQXPQS-WHFBIAKZSA-N 2 1 233.228 -1.857 10 5 BABEMP COC(=O)[C@@H]([NH3+])CC[C@H](NC(N)=[NH2+])[N+](=O)[O-] ZINC000141293411 345840992 /nfs/dbraw/zinc/84/09/92/345840992.db2.gz ZNNMGBHOPQXPQS-CRCLSJGQSA-N 2 1 233.228 -1.857 10 5 BABEMP