smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[P+](CC)(CC)c1ccc([P+](CC)(CC)CC)cc1 ZINC000050075707 563577466 /nfs/dbraw/zinc/57/74/66/563577466.db2.gz DDJCLXXWIWWVTJ-UHFFFAOYSA-N 2 0 312.418 5.092 50 30 DKEARP CCCCCCCCCCCCCCCC[NH2+]CCC[NH2+]C ZINC000100016115 563544381 /nfs/dbraw/zinc/54/43/81/563544381.db2.gz VHZNVMLRHMWTND-UHFFFAOYSA-N 2 0 312.586 5.667 50 30 DKEARP