smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)ccc1[NH+]=CN(C)SN(C)C=[NH+]c1ccc(Cl)cc1C ZINC000257358521 570720119 /nfs/dbraw/zinc/72/01/19/570720119.db2.gz UYJZGLGFNRHHFM-UHFFFAOYSA-N 2 2 395.359 6.057 50 30 GKEALP CCCCCCCCCCCCCCCCCC[NH+](CCC[NH3+])CCC[NH3+] ZINC000101172130 208387660 /nfs/dbraw/zinc/38/76/60/208387660.db2.gz OJKYUUWWSXGVAM-UHFFFAOYSA-N 3 2 383.709 6.248 50 30 GKEALP