smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@@H]3C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H]([NH+](C)C)[C@@H](O)[C@H](C)O3)c1C2=O ZINC000256966640 572305728 /nfs/dbraw/zinc/30/57/28/572305728.db2.gz RZOFHOWMWMTHDX-AYLNNVQISA-N 2 2 746.854 3.656 40 10 in-vitro KHCBLP Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@@H]3C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H]([NH+](C)C)[C@H](O)[C@@H](C)O3)c1C2=O ZINC000256966642 572305712 /nfs/dbraw/zinc/30/57/12/572305712.db2.gz RZOFHOWMWMTHDX-CPSWTUICSA-N 2 2 746.854 3.656 40 10 in-vitro KHCBLP Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@@H]3C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O3)c1C2=O ZINC000256966644 572305791 /nfs/dbraw/zinc/30/57/91/572305791.db2.gz RZOFHOWMWMTHDX-NLBZLAPOSA-N 2 2 746.854 3.656 40 10 in-vitro KHCBLP Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@@H]3C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O3)c1C2=O ZINC000256966646 572305700 /nfs/dbraw/zinc/30/57/00/572305700.db2.gz RZOFHOWMWMTHDX-WSBQRAEJSA-N 2 2 746.854 3.656 40 10 in-vitro KHCBLP