smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c2[nH+]c3c(C)ccc(C)c3cc12 ZINC000004743531 342751585 /nfs/dbraw/zinc/75/15/85/342751585.db2.gz CGKIOPCXNHRFEZ-UHFFFAOYSA-N 1 2 235.330 4.622 40 5 BJBBLO