smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=Cc1ccc([NH+](CCCC)CCCC)cc1 ZINC000034742749 351234403 /nfs/dbraw/zinc/23/44/03/351234403.db2.gz KAVBRFJCUBOPFC-UHFFFAOYSA-N 1 2 231.383 4.736 10 10 BJCELO