smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN)cc1 ZINC000843295878 588098187 /nfs/dbraw/zinc/09/81/87/588098187.db2.gz QHMFXWOCUGKNCP-LLVKDONJSA-N 1 3 236.319 -0.173 20 10 BBCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN)cc1 ZINC000843295879 588098182 /nfs/dbraw/zinc/09/81/82/588098182.db2.gz QHMFXWOCUGKNCP-NSHDSACASA-N 1 3 236.319 -0.173 20 10 BBCDHO