smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+]CC[NH2+]C[C@H]1CCCOC1 ZINC000161344730 169259525 /nfs/dbraw/zinc/25/95/25/169259525.db2.gz IGUAKEWMJUGSIW-LLVKDONJSA-N 2 0 200.326 1.002 50 70 BDIARP CCC[NH2+]CC[NH2+]C[C@@H]1CCCOC1 ZINC000161344621 169258955 /nfs/dbraw/zinc/25/89/55/169258955.db2.gz IGUAKEWMJUGSIW-NSHDSACASA-N 2 0 200.326 1.002 50 70 BDIARP