smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000218129807 206367461 /nfs/dbraw/zinc/36/74/61/206367461.db2.gz JSAIGJAZRBMSJN-ZDUSSCGKSA-N 1 2 356.452 -1.154 50 70 FAIALO C[N@H+]1CCc2n[nH]c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NS(C)(=O)=O)c2C1 ZINC000218567242 206372189 /nfs/dbraw/zinc/37/21/89/206372189.db2.gz FPNXZLPMXBEOIV-MGNUUCGSSA-N 1 2 369.447 -1.168 50 70 FAIALO C[N@@H+]1CCc2n[nH]c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NS(C)(=O)=O)c2C1 ZINC000218567242 206372187 /nfs/dbraw/zinc/37/21/87/206372187.db2.gz FPNXZLPMXBEOIV-MGNUUCGSSA-N 1 2 369.447 -1.168 50 70 FAIALO