smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCN(C)CC3)cc2)cc1Cl ZINC000216833971 569879707 /nfs/dbraw/zinc/87/97/07/569879707.db2.gz QHHYIGCOJPJVLT-UHFFFAOYSA-N -1 3 451.976 3.038 40 70 JGIBHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCN(C)CC1 ZINC000216836565 569879670 /nfs/dbraw/zinc/87/96/70/569879670.db2.gz XSZZGKBBCNYNSS-UHFFFAOYSA-N -1 3 451.976 3.038 40 70 JGIBHM CN1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000216838536 569879718 /nfs/dbraw/zinc/87/97/18/569879718.db2.gz GQVWUZSXUTWDHH-UHFFFAOYSA-N -1 3 472.394 3.383 40 70 JGIBHM CN1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000216833517 569879659 /nfs/dbraw/zinc/87/96/59/569879659.db2.gz CXBZXWLTNZIMLD-UHFFFAOYSA-N -1 3 471.501 3.095 40 70 JGIBHM