smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN2c3ccc(NC=C4C(=O)[N-]C(=S)N(C)C4=O)cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1 ZINC000016994693 556199150 /nfs/dbraw/zinc/19/91/50/556199150.db2.gz NDYVPNKEDWKTGQ-CTXBLAANSA-N -2 3 497.537 -1.116 50 10 JACAHL CN1CCN2c3ccc(NC=C4C(=O)[N-]C(=O)N(C)C4=O)cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1 ZINC000016995363 556198947 /nfs/dbraw/zinc/19/89/47/556198947.db2.gz LSCVYZYIZZVVHZ-CTXBLAANSA-N -2 3 481.469 -1.281 50 10 JACAHL