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)c1[nH]c2ccc(NC(=O)CCCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]43)cc2[nH+]1 ZINC000217777821 569881543 /nfs/dbraw/zinc/88/15/43/569881543.db2.gz KBVGDVNXJVVIEG-HHHXNRCGSA-N 1 2 493.567 5.220 50 70 biogenic JKIALO CC(C)c1[nH]c2ccc(NC(=O)CCCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]43)cc2[nH+]1 ZINC000217777908 569881540 /nfs/dbraw/zinc/88/15/40/569881540.db2.gz KBVGDVNXJVVIEG-MHZLTWQESA-N 1 2 493.567 5.220 50 70 biogenic JKIALO