smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=CNCCc2c[nH]c[nH+]2)C(=O)N1 ZINC000019899368 342961632 /nfs/dbraw/zinc/96/16/32/342961632.db2.gz NVXXAAUGYGHBBT-UHFFFAOYSA-N 1 2 249.230 -1.208 50 10 BACALO C[NH+](C)CCNC=C1C(=O)NC(=O)NC1=O ZINC000085892727 384771549 /nfs/dbraw/zinc/77/15/49/384771549.db2.gz JJJLBAVOLFKVEK-UHFFFAOYSA-N 1 2 226.236 -1.613 50 10 BACALO