smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NC[C@@H]1CCCN([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000216792495 241212414 /nfs/dbraw/zinc/21/24/14/241212414.db2.gz FEWGJIVXTGJDPV-JSGCOSHPSA-N 0 3 328.378 3.615 20 70 EHIDHN