smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]1CC[C@H](CC)[PH+]1CC[P@@H+]1[C@H](CC)CC[C@@H]1CC ZINC000096836823 185389081 /nfs/dbraw/zinc/38/90/81/185389081.db2.gz QOLRLVPABLMMKI-ZNXRSXASSA-N 2 1 314.434 6.652 10 0 DKAEMP CC[C@@H]1CC[C@H](CC)[P@@H+]1CC[PH+]1[C@@H](CC)CC[C@@H]1CC ZINC000096836824 185389199 /nfs/dbraw/zinc/38/91/99/185389199.db2.gz QOLRLVPABLMMKI-YLQJXANPSA-N 2 1 314.434 6.652 10 0 DKAEMP