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)Cn1c(=O)cc(CCN2CCN(c3nccc4sccc43)CC2)c2ccc(F)cc21 ZINC000000602552 562918480 /nfs/dbraw/zinc/91/84/80/562918480.db2.gz JDLYOFUDIKMYBL-UHFFFAOYSA-N 0 1 465.554 2.600 10 10 in-man JFCEMN