smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000217776665 340489977 /nfs/dbraw/zinc/48/99/77/340489977.db2.gz IVCUXWOEVAJUQB-TUAOUCFPSA-N 1 0 305.409 5.082 10 70 DKIERO