smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[NH+](CCO)CCO)c(O)c(C[NH+](CCO)CCO)c1 ZINC000001700095 375876390 /nfs/dbraw/zinc/87/63/90/375876390.db2.gz LQQPEYLPMQJEDN-UHFFFAOYSA-N 2 0 342.436 -0.726 40 10 EBCBRP