smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@]1(C2CC[NH+](Cc3cccc(OC)c3O)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000014963447 521313451 /nfs/dbraw/zinc/31/34/51/521313451.db2.gz YEDXYULTFMLHHE-HFZDXXHNSA-N 2 1 472.630 3.188 50 10 JGCAMP CCC[C@@]1(C2CC[NH+](Cc3cccc(OC)c3O)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000014963443 520958602 /nfs/dbraw/zinc/95/86/02/520958602.db2.gz YEDXYULTFMLHHE-LVXARBLLSA-N 2 1 472.630 3.188 50 10 JGCAMP CCC[C@@]1(C2CC[NH+](Cc3cccc(OC)c3O)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000014963451 520959368 /nfs/dbraw/zinc/95/93/68/520959368.db2.gz YEDXYULTFMLHHE-RLWLMLJZSA-N 2 1 472.630 3.188 50 10 JGCAMP CCC[C@]1(C2CC[NH+](Cc3cccc(OC)c3O)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000014963455 521314320 /nfs/dbraw/zinc/31/43/20/521314320.db2.gz YEDXYULTFMLHHE-QFQXNSOFSA-N 2 1 472.630 3.188 50 10 JGCAMP