smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216795697 557155586 /nfs/dbraw/zinc/15/55/86/557155586.db2.gz BDPSYEMLJGCQPN-UHFFFAOYSA-N -1 1 438.347 2.638 40 70 IFIBMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1Cl ZINC000216796189 557155599 /nfs/dbraw/zinc/15/55/99/557155599.db2.gz ZRPCELYIEVPBCX-UHFFFAOYSA-N -1 1 437.949 2.927 40 70 IFIBMM