smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4c[nH]nn4)CS[C@H]23)cs1 ZINC000003915526 561684778 /nfs/dbraw/zinc/68/47/78/561684778.db2.gz UEQVTKSAEXANEZ-YCRCPZNHSA-N -1 1 514.596 0.201 10 30 investigational KCEEMM Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cn[nH]n4)CS[C@H]23)cs1 ZINC000003915526 561684775 /nfs/dbraw/zinc/68/47/75/561684775.db2.gz UEQVTKSAEXANEZ-YCRCPZNHSA-N -1 1 514.596 0.201 10 30 investigational KCEEMM COC(=O)c1c(C)c2c([O-])c3c(cc2cc1O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)C(=O)[C@@]1(O)[C@H](O)C(OC)=CC(=O)[C@@]1(OC)C3=O ZINC000082182196 562742128 /nfs/dbraw/zinc/74/21/28/562742128.db2.gz OYEXGNNKRQPUBW-FJYHMNRNSA-N -1 1 660.625 0.778 10 30 in-vitro KCEEMM