smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc(C(=O)[N-]c2c(C)noc2C2CC2)c1Cl ZINC000330106403 534794002 /nfs/dbraw/zinc/79/40/02/534794002.db2.gz KVXJOBAKUQYEBY-UHFFFAOYSA-N -1 3 296.779 4.520 20 30 CJEDHM