smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(=C1c2ccccc2CCc2ccccc21)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000071294681 203091045 /nfs/dbraw/zinc/09/10/45/203091045.db2.gz XXJSMJREPJTXFU-SQJMNOBHSA-N 1 1 343.514 5.481 1 10 EKCFMO COc1ccc2nc3cc(Cl)ccc3c(Nc3cc[nH+]cc3)c2c1 ZINC000072107219 203162735 /nfs/dbraw/zinc/16/27/35/203162735.db2.gz YAUSMHMYJYRQTL-UHFFFAOYSA-N 1 1 335.794 5.189 1 10 EKCFMO