smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-c2ccc(-c3cc(C)[nH+]c(C)c3)cc2)cc(C)[nH+]1 ZINC000075251049 566938260 /nfs/dbraw/zinc/93/82/60/566938260.db2.gz FLMQKAGQIXYIQI-UHFFFAOYSA-N 2 2 288.394 5.044 50 0 CKAALP C1=[NH+]\CCCCCCCCCCCC/[NH+]=C\c2ccc/1cc2 ZINC000101018836 566918435 /nfs/dbraw/zinc/91/84/35/566918435.db2.gz YAYWWJSNDWCXNA-KSTNYAOJSA-N 2 2 298.474 5.439 50 0 CKAALP