smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1cc2[nH]c3c(c[nH+]c4ccc(OC)cc34)c2cc1OC ZINC000019909801 571308244 /nfs/dbraw/zinc/30/82/44/571308244.db2.gz GIEVVDQDAGSEHT-UHFFFAOYSA-N 2 1 363.461 4.728 50 5 FJBAMP