smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@@H](CC1CC1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O ZINC000207703472 571573383 /nfs/dbraw/zinc/57/33/83/571573383.db2.gz RANYIWAZSQWERN-WLENULPWSA-N 0 0 518.511 3.918 30 0 KHACRN