smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H](N)C(=O)ONC(=[NH2+])c1ccccc1 ZINC000066078006 187274226 /nfs/dbraw/zinc/27/42/26/187274226.db2.gz ZDTWUPKDGKQUBL-JTQLQIEISA-N 2 1 235.287 0.833 1 30 BCEFMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(C#N)cc1 ZINC000017039538 534961506 /nfs/dbraw/zinc/96/15/06/534961506.db2.gz PFKPHQZLTPKOTF-UHFFFAOYSA-N 2 1 242.286 0.744 1 30 BCEFMP