smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1c2ccc(cc3[nH+]c(cc4ccc(cc5[nH+]c1CC5)[nH]4)CC3)[nH]2 ZINC000038792143 183010330 /nfs/dbraw/zinc/01/03/30/183010330.db2.gz BHPNXACHQYJJJS-UHFFFAOYSA-N 2 2 314.392 3.885 1 5 in-vitro DHBFLP