Upload tem1_clean.csv

tem1_clean.csv

@@ -0,0 +1,317 @@
+smiles,affinity_nM,pAff,affinity_type,uniprot_id,target_name,organism,ligand_name,ligand_id,pmid,scaffold
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1,0.4,9.397940008672037,IC50,P62593,Beta-lactamase TEM,,"CHEMBL212163::sodium (R,E)-6-((6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methylene)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50191378,16854068.0,O=C1C(=Cc2cn3c(n2)COCC3)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12,0.4,9.397940008672037,IC50,P62593,Beta-lactamase TEM,,"CHEMBL263746::Sodium; (R)-6-[1-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-3-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50149468,15214794.0,O=C1C(=Cc2cnc3n2CCOC3)C2SC=CN12
+CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O,0.47,9.327902142064282,IC50,P62593,Beta-lactamase TEM,,"2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2,2-difluoroacetic acid lithium salt::US10800778, Example 91",467000,,O=C1NC2C=CCN1C2
+ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,0.95,9.234260541478871,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 41::US9120808, Example 42",178163,,O=C1OCCC1=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,1.05,9.08374554364688,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 46::US9120808, Example 47",178167,,O=C1OCCC1=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1,1.0,9.0,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,1-b][1,3]thiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium::CHEMBL122450::Sodium; (R)-6-[1-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate::sodium (R)-6-[1-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50149467,15214794.0;15588091.0,O=C1C(=Cc2cn3c4c(sc3n2)CCC4)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1,1.0,9.0,IC50,P62593,Beta-lactamase TEM,,"(5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL212760",50191379,16854068.0,O=C1C(=Cc2cc3n(n2)CCSC3)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1,1.0,9.0,IC50,P62593,Beta-lactamase TEM,,"(5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrazin-2-ylmethylene)-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL379856",50191377,16854068.0,O=C1C(=Cc2cc3n(n2)CCNC3)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1,1.0,9.0,IC50,P62593,Beta-lactamase TEM,,"6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylicacid sodium salt::CHEMBL380061",50191389,16854068.0,O=C1C(=Cc2cc3c(s2)CCN(c2cc4c(s2)CCOC4)C3)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1,1.0,9.0,IC50,P62593,Beta-lactamase TEM,,"CHEMBL124416::Sodium; (R)-6-[1-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50149466,15214794.0,O=C1C(=Cc2cc3n(n2)CCC3)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1,1.0,9.0,IC50,P62593,Beta-lactamase TEM,,"(5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyrazolo[5,1-c][1,4]thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL378119",50191390,16854068.0,O=C1C(=Cc2cc3n(n2)CCS(=O)(=O)C3)C2SC=CN12
+NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@H](F)C(O)=O,1.3,8.886056647693163,IC50,P62593,Beta-lactamase TEM,,"US10800778, Comparator 98",467003,,O=C1NC2CCCN1C2
+CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O,1.35,8.869666231504993,IC50,P62593,Beta-lactamase TEM,,"(2R)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}(fluoro)ethanoic acid lithium salt::US10800778, Example 4",466965,,O=C1NC2C=CCN1C2
+OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,1.4,8.853871964321762,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 58",178215,,O=C(OCc1ccccc1)C1C(=CCC=CCN(Cc2ccccc2)C(=O)OCc2ccccc2)OC2CC(=O)N21
+CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O,1.5,8.823908740944319,IC50,P62593,Beta-lactamase TEM,,"US10800778, Example 8::{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}(difluoro)acetic acid lithium salt",466967,,O=C1NC2C=CCN1C2
+CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(O)=O,1.8,8.744727494896694,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 49",178170,,O=C1OCCC1=C1CN2C(=O)CC2O1
+NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O,1.9,8.721246399047171,IC50,P62593,Beta-lactamase TEM,,"CHEMBL1689063::trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-2-carboxamide",50339145,33744439.0,O=C1NC2CCCN1C2
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1,2.0,8.698970004336019,IC50,P62593,Beta-lactamase TEM,,"(5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-a]pyridin-2-ylmethylene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL385593",50191386,16854068.0,O=C1C(=Cc2cc3n(n2)CCCC3)C2SC=CN12
+COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1,2.0,8.698970004336019,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)]methylene}-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL378041",50191381,16854068.0,O=C1C(=Cc2cc3c(s2)CCN(Cc2ccccc2)C3)C2SC=CN12
+[N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,2.4,8.619788758288394,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 48",178169,,O=C1OCCC1=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O,3.0,8.522878745280337,IC50,P62593,Beta-lactamase TEM,,CHEMBL4533632,50505403,31454231.0,O=C(NC1BOc2ccccc2C1)c1ccccc1
+Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21,3.0,8.522878745280337,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-[(7-methylimidazo[2,1-b][1,3]-benzothiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium::CHEMBL222375",50157688,15588091.0,O=C1C(=Cc2cn3c(n2)sc2ccccc23)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1,3.0,8.522878745280337,IC50,P62593,Beta-lactamase TEM,,"(5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL425963",50191383,16854068.0,O=C1C(=Cc2cn3c(n2)CSCC3)C2SC=CN12
+CC(=O)C=C1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O,3.0,8.522878745280337,IC50,P62593,Beta-lactamase TEM,,"CHEMBL35987::Sodium; (2S,5R)-3,3-dimethyl-7-oxo-6-[2-oxo-prop-(Z)-ylidene]-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50284790,,C=C1C(=O)N2CCSC12
+CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O,3.2,8.494850021680094,IC50,P62593,Beta-lactamase TEM,,"(2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid lithium salt::US10800778, Example 33",466972,,O=C1NC2C=CCN1C2
+NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O,3.5,8.455931955649724,IC50,P62593,Beta-lactamase TEM,,"(2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid lithium salt::US10800778, Example 41",466974,,O=C1NC2C=C(C3CC3)CN1C2
+COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O,3.5,8.455931955649724,IC50,P62593,Beta-lactamase TEM,,"US9120808, Mixture of Example 43 and Example 44",178165,,O=C1OCCC1=C1CN2C(=O)CC2O1
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1,4.0,8.397940008672037,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c]-[1,4]oxazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL377382",50191385,16854068.0,O=C1C(=Cc2cc3n(n2)CCOC3)C2SC=CN12
+CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1,4.0,8.397940008672037,IC50,P62593,Beta-lactamase TEM,,"(5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethylene)-7-oxo-4-thia-1-aza-bicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL212478",50191387,16854068.0,O=C1C(=Cc2cn3c(n2)CNCC3)C2SC=CN12
+CC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(O)=O,4.2,8.3767507096021,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 50",178171,,O=C1OCCC1=C1CN2C(=O)CC2O1
+CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O,4.4,8.356547323513812,IC50,P62593,Beta-lactamase TEM,,"US10800778, Example 5::{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}(fluoro)acetic acid lithium salt (mixture of diastereomers)",466966,,O=C1NC2C=CCN1C2
+CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O,5.0,8.301029995663981,IC50,P62593,Beta-lactamase TEM,,"CHEMBL268919::Sodium; (R)-3-acetoxymethyl-7-[1-tert-butoxycarbonyl-meth-(Z)-ylidene]-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate",50033680,7699694.0,C=C1C(=O)N2C=CCS(=O)(=O)C12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1,5.0,8.301029995663981,IC50,P62593,Beta-lactamase TEM,,"CHEMBL379440::sodium (R,E)-7-oxo-6-((5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)methylene)-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50191380,16854068.0,O=C1C(=Cc2cn3c(n2)CNCC3)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1,6.0,8.221848749616356,IC50,P62593,Beta-lactamase TEM,,"(5R)(6Z)-6-(6,7-5H-dihydropyrazolo[5,1-b]-oxazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL377001",50191388,16854068.0,O=C1C(=Cc2cc3n(n2)CCCO3)C2SC=CN12
+C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O,6.0,8.221848749616356,IC50,P62593,Beta-lactamase TEM,,"CHEMBL6533::Sodium; (2S,3S,5R,6R)-6-hydroxymethyl-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076683,10230627.0,O=C1CC2N1CC(Cn1ccnn1)S2(=O)=O
+[Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21,6.0,8.221848749616356,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-[(7-chloroimidazo[2,1-b][1,3]-benzothiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium::CHEMBL388778",50157693,15588091.0,O=C1C(=Cc2cn3c(n2)sc2ccccc23)C2SC=CN12
+Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21,8.0,8.096910013008056,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-[(7-fluoroimidazo[2,1-b][1,3]-benzothiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium::CHEMBL222922",50157694,15588091.0,O=C1C(=Cc2cn3c(n2)sc2ccccc23)C2SC=CN12
+Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12,9.0,8.045757490560675,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-[(5-methylimidazo[2,1-b][1,3]-benzothiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium::CHEMBL222866",50157687,15588091.0,O=C1C(=Cc2cn3c(n2)sc2ccccc23)C2SC=CN12
+OC(=O)C(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,9.2,8.036212172654444,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 26",178201,,O=C(OCc1ccccc1)C1C(=CCC=Cc2ccccc2)OC2CC(=O)N21
+[Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21,10.0,8.0,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-(imidazo[2,1-b][1,3]benzothiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium::CHEMBL222758",50157689,15588091.0,O=C1C(=Cc2cn3c(n2)sc2ccccc23)C2SC=CN12
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1,10.0,8.0,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-7-oxo-6-{[5-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)]methylene}-7oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL211143",50191382,16854068.0,O=C1C(=Cc2cc3c(s2)CCN(Cc2cccnc2)C3)C2SC=CN12
+OB(O)c1cc2cc(CNc3ccc(Cl)c(Cl)c3)ccc2s1,10.0,8.0,Ki,P62593,Beta-lactamase TEM,,"CHEMBL396872::pinacol 5-[(3,4-dichlorophenylamino)methyl]benzo[b]thiophen-2-ylboronate",50225373,17956081.0,c1ccc(NCc2ccc3sccc3c2)cc1
+C[C@]1(CSc2nc3ccccc3o2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O,10.5,7.978810700930062,IC50,P62593,Beta-lactamase TEM,,CHEMBL309009,50212634,,O=C1CC2N1CC(CSc1nc3ccccc3o1)S2(=O)=O
+COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(=O)OC,10.6,7.97469413473523,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 57",178214,,O=C1CC2OC(=CCCCc3ccccc3)CN12
+CCCCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12,12.0,7.920818753952375,IC50,P62593,Beta-lactamase TEM,,"CHEMBL396998::sodium (8R,9R)-10(S)-[1(R)-hydroxyethyl]-4(R)-butoxy-11-oxo-1-azatricyclo[7.2.0 .03,8]undec-2-enecarboxylate",50218932,17665896.0,C=C1C(=O)N2C=C3CCCCC3C12
+CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O,14.3,7.844663962534939,IC50,P62593,Beta-lactamase TEM,,Brobactam,50212641,,O=C1CC2SCCN12
+Cn1ccnc1SC[C@]1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O,15.3,7.815308569182402,IC50,P62593,Beta-lactamase TEM,,CHEMBL73450,50212644,,O=C1CC2SC(CSc3ncc[nH]3)CN12
+Cn1nnnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O,17.3,7.761953896871205,IC50,P62593,Beta-lactamase TEM,,CHEMBL302512,50212638,,O=C1CC2N1CC(CSc1nnn[nH]1)S2(=O)=O
+C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCC#N)C3=C(N2C1=O)C([O-])=O,18.0,7.7447274948966935,IC50,P62593,Beta-lactamase TEM,,"CHEMBL397438::sodium (8S,9R)-10(E)-ethylidene-4(S)-(2'-cyanoethoxy)-11-oxo-1-azatricyclo[7.2.0.03, 8]undec-2-enecarboxylate",50218936,17665896.0,C=C1C(=O)N2C=C3CCCCC3C12
+COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21,18.0,7.7447274948966935,IC50,P62593,Beta-lactamase TEM,,"(5R,6Z)-6-[(7-methoxyimidazo[2,1-b][1,3]-benzothiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]-hept-2-ene-2-carboxylic acid sodium::CHEMBL375172",50157691,15588091.0,O=C1C(=Cc2cn3c(n2)sc2ccccc23)C2SC=CN12
+CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O,19.0,7.721246399047171,IC50,P62593,Beta-lactamase TEM,,"(2S)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}(fluoro)ethanoic acid lithium salt::US10800778, Example 3",466964,,O=C1NC2C=CCN1C2
+C[C@]1(\C=C/C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O,19.0,7.721246399047171,IC50,P62593,Beta-lactamase TEM,,"CHEMBL6469::Sodium; (2S,3S,5R,6R)-3-((Z)-2-cyano-vinyl)-6-hydroxymethyl-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076681,10230627.0,O=C1CC2N1CCS2(=O)=O
+C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O,21.0,7.6777807052660805,IC50,P62593,Beta-lactamase TEM,,"CHEMBL395017::sodium (8S,9R)-10(E)-ethylidene-4(S)-(2'-fluoroethoxy)-11-oxo-1-azatricyclo[7.2.0.03, 8]undec-2-enecarboxylate",50218934,17665896.0,C=C1C(=O)N2C=C3CCCCC3C12
+C[C@@]1(CSc2nc[nH]n2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O,21.1,7.675717544702307,IC50,P62593,Beta-lactamase TEM,,CHEMBL305908,50212645,,O=C1CC2SC(CSc3nc[nH]n3)CN12
+COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O,21.7,7.663540266151471,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 34",178203,,O=C1CC2OC(=CCC=Cc3ccccc3)CN12
+CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12,22.0,7.657577319177793,IC50,P62593,Beta-lactamase TEM,,"CHEMBL230859::sodium (8R,9R)-10(E)-ethylidene-4(R)-ethoxy-11-oxo-1-azatricyclo[7.2.0.03,8]undec-2 -enecarboxylate",50218933,17665896.0,C=C1C(=O)N2C=C3CCCCC3C12
+C[C@]1(CSC2=NCCS2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O,22.8,7.642065152999546,IC50,P62593,Beta-lactamase TEM,,CHEMBL72046,50212637,,O=C1CC2N1CC(CSC1=NCCS1)S2(=O)=O
+NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O,24.0,7.619788758288394,IC50,P62593,Beta-lactamase TEM,,"(2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid lithium salt::US10800778, Example 42",466975,,O=C1NC2C=C(C3CC3)CN1C2
+CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O,24.0,7.619788758288394,IC50,P62593,Beta-lactamase TEM,,"2-[[(2S,5R)-2-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoro-acetic acid lithium salt::US10800778, Example 55",466977,,O=C1NC2C=CC(c3nnco3)N1C2
+CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O,26.0,7.585026652029182,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid lithium salt::US10800778, Example 34",466973,,O=C1NC2C=CCN1C2
+CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O,26.0,7.585026652029182,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-[[(2S,5R)-2-(cyclopropylmethoxycarbamoyl)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoro-acetic acid lithium salt::US10800778, Example 70",466986,,O=C(NOCC1CC1)C1C=CC2CN1C(=O)N2
+OB(O)c1cc2ccccc2s1,27.0,7.568636235841013,Ki,P62593,Beta-lactamase TEM,,"1-benzothiophen-2-ylboranediol::1-benzothiophen-2-ylboronic acid, 18::CHEMBL34964::Phenylboronic acid, 11",26139,17956081.0,c1ccc2sccc2c1
+CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C=O,27.1,7.567030709125595,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 18",178198,,O=C1CC2OC(=CCC=Cc3ccccc3)CN12
+OB(O)c1cc2cc(CNc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)ccc2s1,28.0,7.552841968657781,Ki,P62593,Beta-lactamase TEM,,"CHEMBL235293::pinacol5-{[4-(1-hydroxy-2,2,2-trifluoro-1-trifluoromethylethyl)-phenylamino]methyl}benzo[b]thiophen-2-ylboronate",50225381,17956081.0,c1ccc(NCc2ccc3sccc3c2)cc1
+OB(O)c1cc2cc(CNCC(O)=O)ccc2s1,28.0,7.552841968657781,Ki,P62593,Beta-lactamase TEM,,CHEMBL235526::pinacol 5-[(carboxymethylamino)methyl]benzo[b]thiophen-2-ylboronate,50225393,17956081.0,c1ccc2sccc2c1
+OB(O)c1cc2cc(Br)ccc2s1,30.0,7.522878745280337,Ki,P62593,Beta-lactamase TEM,,CHEMBL397522::pinacol 5-bromomethylbenzo[b]thiophen-2-ylboronate,50225376,17956081.0,c1ccc2sccc2c1
+Cc1ccc2sc(cc2c1)B(O)O,30.0,7.522878745280337,Ki,P62593,Beta-lactamase TEM,,5-methyl-benzo[b]thiophen-2-ylboronic acid::CHEMBL238243,50225371,17956081.0,c1ccc2sccc2c1
+OC(=O)C(F)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O,30.0,7.522878745280337,IC50,P62593,Beta-lactamase TEM,,"US10800778, Comparator 99",467004,,O=C(NC1CCNCC1)C1CCC2CN1C(=O)N2
+C[C@@]1(CSc2nc3ccccc3o2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O,30.3,7.518557371497695,IC50,P62593,Beta-lactamase TEM,,CHEMBL70269,50212642,,O=C1CC2SC(CSc3nc4ccccc4o3)CN12
+OC(=O)C(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,30.6,7.51427857351842,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 24",178200,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12,32.0,7.494850021680094,IC50,P62593,Beta-lactamase TEM,,"CHEMBL230332::sodium (5S,8aS,8bR)-5-butoxy-1-eth-(E)-ylidene-2-oxo-1,2,5,6,7,8,8a,8b-octahydro-azeto[2,1-a]isoindole-4-carboxylate",50218939,17665896.0,C=C1C(=O)N2C=C3CCCCC3C12
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O,33.0,7.481486060122113,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(sulfamoylamino)-methylcarbamoyl]-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 89",466999,,O=C1NC2C=CCN1C2
+CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O,35.0,7.455931955649724,IC50,P62593,Beta-lactamase TEM,,"(2R)-2-(((2S,5R)-2-cyano-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid lithium salt::US10800778, Example 95",467002,,O=C1NC2C=CCN1C2
+C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CCO[C@@H]3CN)=C(N2C1=O)C(O)=O,35.0,7.455931955649724,IC50,P62593,Beta-lactamase TEM,,CHEMBL1206880::CL-191121,50403733,10230626.0,O=C1CC2CC(SC3CCOC3)=CN12
+C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O,35.9,7.444905551421681,IC50,P62593,Beta-lactamase TEM,,CHEMBL308516,50212643,,O=C1CC2SC(CSc3nc4ccccc4s3)CN12
+COC(=O)\C=C1/[C@@H]2N(C1=O)C(C([O-])=O)=C(COC(C)=O)CS2(=O)=O,37.0,7.431798275933005,IC50,P62593,Beta-lactamase TEM,,"CHEMBL36657::Sodium; (R)-3-acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylidene]-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate",50284786,,C=C1C(=O)N2C=CCS(=O)(=O)C12
+OB(O)c1cc2cc(CNc3cccc(c3)[N+]([O-])=O)ccc2s1,37.0,7.431798275933005,Ki,P62593,Beta-lactamase TEM,,CHEMBL235292::pinacol 5-[(3-nitrophenylamino)methyl]benzo[b]thiophen-2-ylboronate,50225379,17956081.0,c1ccc(NCc2ccc3sccc3c2)cc1
+OB(O)c1cc2cc(CN(C=O)C=O)ccc2s1,37.0,7.431798275933005,Ki,P62593,Beta-lactamase TEM,,CHEMBL235073::pinacol 5-diformylaminomethylbenzo[b]thiophen-2-ylboronate::{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID,50225378,17956081.0,c1ccc2sccc2c1
+C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O,39.0,7.4089353929735005,IC50,P62593,Beta-lactamase TEM,,"CHEMBL396753::sodium (8S,9R)-10(E)-ethylidene-4(S)-isopropoxy-11-oxo-1-azatricyclo[7.2.0.03,8]undec-2-enecarboxylate",50218938,17665896.0,C=C1C(=O)N2C=C3CCCCC3C12
+OB(O)c1sc2ccccc2c1\C=C\C(O)=O,40.0,7.3979400086720375,Ki,P62593,Beta-lactamase TEM,,CHEMBL3286879,50516761,31288128.0,c1ccc2sccc2c1
+C[C@@]1(CSC2=NCCS2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O,40.3,7.394694953858891,IC50,P62593,Beta-lactamase TEM,,CHEMBL310221,50212636,,O=C1CC2SC(CSC3=NCCS3)CN12
+OB(O)c1cc2cc(O)ccc2s1,43.0,7.366531544420414,Ki,P62593,Beta-lactamase TEM,,5-hydroxymethylbenzo[b]thiophen-2-ylboronic acid::CHEMBL395398,50225392,17956081.0,c1ccc2sccc2c1
+CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O,44.2,7.354577730650908,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 37",178204,,O=C1CC2OC(=CCC=Cc3ccccc3)CN12
+OB(O)c1cc2cc(CNc3cccc(c3)B(O)O)ccc2s1,45.0,7.346787486224656,Ki,P62593,Beta-lactamase TEM,,CHEMBL235308::pinacol 5-[(phenylamino3-boronicacid)methyl]benzo[b]thiophen-2-ylboronate,50225380,17956081.0,c1ccc(NCc2ccc3sccc3c2)cc1
+CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O,47.0,7.327902142064283,IC50,P62593,Beta-lactamase TEM,,"2-(((2S,5R)-2-(2-acetylhydrazinecarbonyl)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid lithium salt::US10800778, Example 27",466970,,O=C1NC2C=CCN1C2
+COC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1,49.0,7.309803919971486,IC50,P62593,Beta-lactamase TEM,,"CHEMBL33711::Sodium; 3-(4-methoxycarbonyl-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2,6-trioxo-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylate",50021963,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O,52.0,7.2839966563652006,IC50,P62593,Beta-lactamase TEM,,"US10544146, Ex. 40",428643,,O=C1NC2CCCN1C2
+CCOC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1,54.0,7.267606240177032,IC50,P62593,Beta-lactamase TEM,,"CHEMBL33950::Sodium; 3-(4-ethoxycarbonyl-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2,6-trioxo-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylate",50021958,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+CC(=O)NCNC(=O)[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O,54.0,7.267606240177032,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-2-(acetamidomethylcarbamoyl)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 88",466998,,O=C1NC2C=CCN1C2
+CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12,55.0,7.259637310505756,IC50,P62593,Beta-lactamase TEM,,"CHEMBL396509::sodium (8S,9R)-10(E)-ethylidene-4(S)-methoxy-11-oxo-1-azatricyclo[7.2.0.03,8]undec -2-enecarboxylate",50218935,17665896.0,C=C1C(=O)N2C=C3CCCCC3C12
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O,57.0,7.2441251443275085,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulfamoylethylcarbamoyl)-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 57",466979,,O=C1NC2C=CCN1C2
+CCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12,57.0,7.2441251443275085,IC50,P62593,Beta-lactamase TEM,,"CHEMBL230226::sodium (8S,9R)-10(E)-ethylidene-4(S)-ethoxy-11-oxo-1-azatricyclo[7.2.0.03,8]undec-2 -enecarboxylate",50218937,17665896.0,C=C1C(=O)N2C=C3CCCCC3C12
+OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O,60.0,7.221848749616356,IC50,P62593,Beta-lactamase TEM,,"CHEMBL8290::Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-ylidene]-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50033685,7699694.0,C=C1CN2C(=O)CC2O1
+C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na],60.0,7.221848749616356,IC50,P62593,Beta-lactamase TEM,,"CHEMBL1439::CL-307579::Sodium; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate::TAZOBACTAM SODIUM::US9035062, TAZ::sodium (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate::tazobactum",50157692,10230626.0;10230627.0;14980686.0;15588091.0;7699694.0,O=C1CC2N1CC(Cn1ccnn1)S2(=O)=O
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O,64.0,7.1938200260161125,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido)ethylcarbamoyl]-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 67",466983,,O=C1NC2C=CCN1C2
+CO\N=C\[C@@]1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O,64.0,7.1938200260161125,IC50,P62593,Beta-lactamase TEM,,"CHEMBL6678::Sodium; (2S,3S,5R,6R)-6-hydroxymethyl-3-(methoxyimino-methyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076682,10230627.0,O=C1CC2N1CCS2(=O)=O
+COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C=O,65.2,7.18575240426808,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 16",178196,,C=C1CN2C(=O)CC2O1
+C[C@]1(CSc2nc3ccccc3[nH]2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O,65.5,7.183758700008217,IC50,P62593,Beta-lactamase TEM,,CHEMBL72972,50212646,,O=C1CC2N1CC(CSc1nc3ccccc3[nH]1)S2(=O)=O
+C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,66.6,7.176525770829699,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 1",178182,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O,329.0,7.1419983281826,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion::CHEMBL416561",50076678,10230626.0;14980686.0,O=C1CC2N1CCS2(=O)=O
+Cn1cnnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O,72.2,7.141462802430361,IC50,P62593,Beta-lactamase TEM,,CHEMBL423309,50212640,,O=C1CC2N1CC(CSc1nnc[nH]1)S2(=O)=O
+COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(O)=O,72.8,7.137868620686963,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 53",178210,,O=C1CC2OC(=CCCCc3ccccc3)CN12
+C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O,75.0,7.1338031200885155,IC50,P62593,Beta-lactamase TEM,,"(2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda 6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide::3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL404::CL-298741::TAZOBACTAM::US9120808, Tazobactam sodium salt::US9676777, TAZ::YTR-830H::Zosyn",50053173,11327608.0;15214794.0;16854068.0;17353248.0;17665896.0;17709463.0;31269398.0,O=C1CC2N1CC(Cn1ccnn1)S2(=O)=O
+C[C@]1(\C=C\C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O,74.0,7.130768280269024,IC50,P62593,Beta-lactamase TEM,,"CHEMBL269471::Sodium; (2S,3S,5R,6R)-3-((E)-2-cyano-vinyl)-6-hydroxymethyl-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076679,10230627.0,O=C1CC2N1CCS2(=O)=O
+CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O,77.0,7.113509274827519,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(5-oxopyrrolidin-2-yl)methoxycarbamoyl]-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 72",466988,,O=C1CCC(CONC(=O)C2C=CC3CN2C(=O)N3)N1
+OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,78.4,7.105683937315561,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 7",178188,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+OB(O)c1cc2cc(CSc3ccccc3)ccc2s1,80.0,7.096910013008056,Ki,P62593,Beta-lactamase TEM,,CHEMBL236203::pinacol 5-phenylsulphanylmethylbenzo[b]thiophen-2-ylboronate,50225383,17956081.0,c1ccc(SCc2ccc3sccc3c2)cc1
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2OC(F)C(O)=O,81.0,7.0915149811213505,IC50,P62593,Beta-lactamase TEM,,"2-fluoro-2-(((2S,5R)-3-methyl-7-oxo-2-((pyrazin-2-ylmethyl)carbamoyl)-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)acetic acid lithium salt::US10800778, Example 30",466971,,O=C(NCc1cnccn1)C1C=CC2CN1C(=O)N2
+OB(O)c1cc2cc(Cn3ccnc3)ccc2s1,82.0,7.086186147616283,Ki,P62593,Beta-lactamase TEM,,5-imidazol-1-yl-methylbenzo[b]thiophen-2-ylboronic acid::CHEMBL395186,50225389,17956081.0,c1cn(Cc2ccc3sccc3c2)cn1
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O,83.0,7.080921907623926,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(sulfamoylamino)ethyl-carbamoyl]-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 75",466991,,O=C1NC2C=CCN1C2
+OB(O)c1cc2cc(COc3ccc(Cl)c(Cl)c3)ccc2s1,83.0,7.080921907623926,Ki,P62593,Beta-lactamase TEM,,"CHEMBL237390::pinacol 5-(3,4-dichlorophenoxymethyl)benzo[b]thiophen-2-ylboronate",50225377,17956081.0,c1ccc(OCc2ccc3sccc3c2)cc1
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O,85.0,7.070581074285707,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-2-(cyanomethylcarbamoyl)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 82",466996,,O=C1NC2C=CCN1C2
+O=CC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,89.0,7.050609993355088,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 4",178185,,O=C(OCc1ccccc1)C1C(=CCC=Cc2ccccc2)OC2CC(=O)N21
+CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O,91.0,7.040958607678906,IC50,P62593,Beta-lactamase TEM,,"(4R,6S)-3-{(2R,3R)-2-[((S)-1-Carboxy-2-methyl-propylamino)-methyl]-tetrahydro-furan-3-ylsulfanyl}-6-((R)-1-hydroxy-ethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid::CHEMBL366664",50076671,10230626.0,O=C1CC2CC(SC3CCOC3)=CN12
+CC1=C[C@@H]2CN([C@@H]1C(=O)NOCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O,93.0,7.031517051446065,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulfamoylethoxycarbamoyl)-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 56",466978,,O=C1NC2C=CCN1C2
+CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OC,97.0,7.013228265733755,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 54",178211,,C=C1CN2C(=O)CC2O1
+Cn1nnnc1SC[C@]1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O,101.0,6.995678626217358,IC50,P62593,Beta-lactamase TEM,,CHEMBL415266,50212635,,O=C1CC2SC(CSc3nnn[nH]3)CN12
+OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O,112.5,6.96777100538654,IC50,P62593,Beta-lactamase TEM,,"CHEMBL777::MM 14151::US9120808, Clavulanic acid potassium salt::antibiotic MM 14151::clavulanic acid",50021959,11959006.0;17353248.0;17665896.0;17709463.0;3039137.0;3257523.0;8064298.0,C=C1CN2C(=O)CC2O1
+CC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O,110.0,6.958607314841775,Ki,P62593,Beta-lactamase TEM,,CHEMBL1231367,50526862,31663735.0,c1ccccc1
+CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CC(F)(F)CN1)C(=O)N2O[C@@H](F)C(O)=O,110.0,6.958607314841775,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-(((2S,5R)-2-((((S)-4,4-difluoropyrrolidin-2-yl)methoxy)carbamoyl)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid TFA salt::US10800778, Example 63",466981,,O=C(NOCC1CCCN1)C1C=CC2CN1C(=O)N2
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCCC(N)=O)C(=O)N2O[C@@H](F)C(O)=O,110.0,6.958607314841775,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-[[(2S,5R)-2-[(3-amino-3-oxo-propyl)carbamoyl]-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoro-acetic acid lithium salt::US10800778, Example 71",466987,,O=C1NC2C=CCN1C2
+CC1(C)[C@@H](N2[C@@H](\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O,120.0,6.920818753952375,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6Z)-6-(carboxymethylene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide;sodium salt::CHEMBL287095",50284789,,C=C1C(=O)N2CCS(=O)(=O)C12
+COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C(O)=O,121.5,6.915423722065669,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 32",178202,,C=C1CN2C(=O)CC2O1
+COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O,130.0,6.886056647693163,IC50,P62593,Beta-lactamase TEM,,"CHEMBL283629::Potassium; (4R,5R,6S)-6-((R)-1-hydroxy-ethyl)-3-methoxy-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50089776,10890171.0,O=C1CC2CC=CN12
+CC(C)(C)OC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O,136.0,6.866461091629782,IC50,P62593,Beta-lactamase TEM,,"CHEMBL284539::Sodium; (2S,5R)-6-[1-tert-butoxycarbonyl-meth-(Z)-ylidene]-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50284793,,C=C1C(=O)N2CCS(=O)(=O)C12
+CC(=O)OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,139.9,6.854182285508172,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 10",178191,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O,150.0,6.823908740944319,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-2-(hydroxymethylcarbamoyl)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 87",466997,,O=C1NC2C=CCN1C2
+CC1=C[C@H](N2C[C@@H]1N(OCC(O)=O)C2=O)C(N)=O,150.0,6.823908740944319,IC50,P62593,Beta-lactamase TEM,,"2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)acetic acid lithium salt::US10800778, Example 93",467001,,O=C1NC2C=CCN1C2
+Nn1cn[n+](Cc2ccc3sc(cc3c2)B(O)O)c1,170.0,6.769551078621726,Ki,P62593,Beta-lactamase TEM,,"5 [(1,2,4-triazol-1-ylmethyl]benzo[b]thiophen-2-ylboronic acid::CHEMBL235951",50225374,17956081.0,c1n[n+](Cc2ccc3sccc3c2)c[nH]1
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O,180.0,6.7447274948966935,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(pyrazin-2-ylmethyl-carbamoyl)-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 69",466985,,O=C(NCc1cnccn1)C1C=CC2CN1C(=O)N2
+CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCCN1)C(=O)N2O[C@@H](F)C(O)=O,210.0,6.6777807052660805,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[[(2S)-pyrrolidin-2-yl]methoxycarbamoyl]-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid TFA salt::US10800778, Example 62",466980,,O=C(NOCC1CCCN1)C1C=CC2CN1C(=O)N2
+CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(C)(F)C(O)=O,230.0,6.638272163982407,IC50,P62593,Beta-lactamase TEM,,"2-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}-2-fluoropropanoic acid lithium salt (mixture of diastereomers)::US10800778, Example 11",466969,,O=C1NC2C=CCN1C2
+COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O,230.0,6.638272163982407,IC50,P62593,Beta-lactamase TEM,,"CHEMBL287670::Potassium; (4S,5R,6S)-6-((R)-1-hydroxy-ethyl)-3-methoxy-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50089775,10890171.0,O=C1CC2CC=CN12
+CC(=O)c1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1,250.0,6.6020599913279625,Ki,P62593,Beta-lactamase TEM,,CHEMBL235523::pinacol 5-[(4-acetylphenylamino)methyl]benzo[b]thiophen-2-ylboronate,50225390,17956081.0,c1ccc(NCc2ccc3sccc3c2)cc1
+OB(O)c1cc2cc(COc3ccccc3)ccc2s1,250.0,6.6020599913279625,Ki,P62593,Beta-lactamase TEM,,CHEMBL396871::pinacol 5-phenoxymethylbenzo[b]thiophen-2-ylboronate,50225386,17956081.0,c1ccc(OCc2ccc3sccc3c2)cc1
+COc1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1OC,250.0,6.6020599913279625,Ki,P62593,Beta-lactamase TEM,,"CHEMBL396889::pinacol 5-[(3,4-dimethoxyphenylamino)methyl]benzo[b]thiophen-2-ylboronate",50225387,17956081.0,c1ccc(NCc2ccc3sccc3c2)cc1
+CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O,254.0,6.595166283380062,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 51",178209,,C=C1CN2C(=O)CC2O1
+Nc1ccc2sc(cc2c1)B(O)O,260.0,6.585026652029182,Ki,P62593,Beta-lactamase TEM,,CHEMBL396390::pinacol 5-aminomethylbenzo[b]thiophen-2-ylboronate,50225375,17956081.0,c1ccc2sccc2c1
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O,280.0,6.552841968657781,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(3-sulfamoylpropylcarbamoyl)-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 74",466990,,O=C1NC2C=CCN1C2
+Cn1ccnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O,289.0,6.539102157243452,IC50,P62593,Beta-lactamase TEM,,CHEMBL302241,50212639,,O=C1CC2N1CC(CSc1ncc[nH]1)S2(=O)=O
+COC(=O)c1nnn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)c1C(=O)OC,300.0,6.522878745280337,IC50,P62593,Beta-lactamase TEM,,"CHEMBL284273::Sodium; 3-(4,5-bis-methoxycarbonyl-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2,6-trioxo-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylate",50021957,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+COC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O,300.0,6.522878745280337,IC50,P62593,Beta-lactamase TEM,,"CHEMBL286323::Sodium; 3-(5-methoxycarbonyl-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2,6-trioxo-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylate",50021960,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+COC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O,308.0,6.511449283499556,IC50,P62593,Beta-lactamase TEM,,"CHEMBL290112::Sodium; (2S,5R)-6-[1-methoxycarbonyl-meth-(Z)-ylidene]-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50284784,,C=C1C(=O)N2CCS(=O)(=O)C12
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1ncco1)C(=O)N2O[C@@H](F)C(O)=O,310.0,6.508638306165728,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxazol-2-ylmethylcarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]lacetic acid lithium salt::US10800778, Example 68",466984,,O=C(NCc1ncco1)C1C=CC2CN1C(=O)N2
+CCOC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O,340.0,6.468521082957745,IC50,P62593,Beta-lactamase TEM,,"CHEMBL35418::Sodium; 3-(5-ethoxycarbonyl-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2,6-trioxo-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylate",50021965,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O,555.0,6.447415286000334,IC50,P62593,Beta-lactamase TEM,,"CHEMBL6461::Ro-48-1220::Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate::Sodium; (2S,3S,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076680,10230627.0;8809160.0,O=C1CC2N1CCS2(=O)=O
+CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1)C([O-])=O,400.0,6.3979400086720375,IC50,P62593,Beta-lactamase TEM,,"(6R,7Z)-3-[(acetyloxy)methyl]-7-(2-oxido-2-oxoethylidene)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide; sodium salt::CHEMBL290165",50284792,,C=C1C(=O)N2C=CCS(=O)(=O)C12
+CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OCC(O)=O,430.0,6.366531544420414,IC50,P62593,Beta-lactamase TEM,,"US10800778, Example 10::{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}acetic acid lithium salt",466968,,O=C1NC2C=CCN1C2
+OB(O)c1cc2cc(CNC=O)ccc2s1,450.0,6.346787486224656,Ki,P62593,Beta-lactamase TEM,,5-formylaminomethylbenzo[b]thiophen-2-ylboronic acid::CHEMBL235291,50225384,17956081.0,c1ccc2sccc2c1
+C[C@]1(Cn2cc(nn2)[Si](C)(C)C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O,510.0,6.292429823902063,IC50,P62593,Beta-lactamase TEM,,"CHEMBL284828::Sodium; 3-methyl-2,2,6-trioxo-3-(4-trimethylsilanyl-[1,2,3]triazol-1-ylmethyl)-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylate",50021964,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+C[C@]1(Cn2cc(nn2)C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O,600.0,6.221848749616356,IC50,P62593,Beta-lactamase TEM,,"CHEMBL286829::dipotassium 1-{[(3R,4S)-4-carboxylato-3-methyl-2,2-dioxido-6-oxo-2-thiabicyclo[3.2.0]hept-3-yl]methyl}-1H-1,2,3-triazole-4-carboxylate",50021961,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O,600.0,6.221848749616356,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-[1-(4-Amino-phenyl)-1H-[1,2,3]triazol-4-ylmethyl]-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL267863",50099184,11327608.0,O=C1C(Cc2cn(-c3ccccc3)nn2)C2N1CCS2(=O)=O
+OB(O)c1cc2cc(COCc3ccccc3)ccc2s1,600.0,6.221848749616356,Ki,P62593,Beta-lactamase TEM,,CHEMBL237181::pinacol 5-benzyloxymethylbenzo[b]thiophen-2-ylboronate,50225391,17956081.0,c1ccc(COCc2ccc3sccc3c2)cc1
+COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O,639.4,6.194227368064331,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 13",60600,,O=C1CC2OC(=CCC=Cc3ccccc3)CN12
+CC1=C[C@@H]2CN([C@@H]1C(=O)NC1COC1)C(=O)N2O[C@@H](F)C(O)=O,660.0,6.180456064458132,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxetan-3-ylcarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 66",466982,,O=C(NC1COC1)C1C=CC2CN1C(=O)N2
+C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O,690.0,6.161150909262744,IC50,P62593,Beta-lactamase TEM,,"CHEMBL285387::Sodium; 3-methyl-2,2,6-trioxo-3-[1,2,3]triazol-1-ylmethyl-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylate",50021956,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+C[C@]1(Cn2cc(N)nn2)[C@@H](C2C(CC2=O)S1(=O)=O)C(O)=O,700.0,6.154901959985743,IC50,P62593,Beta-lactamase TEM,,"3-(4-Amino-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2,6-trioxo-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylic acid::CHEMBL35480",50021955,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O,700.0,6.154901959985743,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-[1-(4-Hydroxy-phenyl)-1H-[1,2,3]triazol-4-ylmethyl]-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6281",50099190,11327608.0,O=C1C(Cc2cn(-c3ccccc3)nn2)C2N1CCS2(=O)=O
+[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCSCc2n1,730.0,6.136677139879544,IC50,P62593,Beta-lactamase TEM,,"(5R),(6E)-6-(5,6-dihydro-8H-imidazo[2,1-c][1,4]thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL211889",50191384,16854068.0,O=C1C(=Cc2cn3c(n2)CSCC3)C2SC=CN12
+CN(C)c1ccc(cc1)C1OB(O)c2ccccc12,730.0,6.136677139879544,IC50,P62593,Beta-lactamase TEM,,CHEMBL4875926,50569215,33744439.0,B1OC(c2ccccc2)c2ccccc21
+CC1=C[C@@H]2CN([C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O,730.0,6.136677139879544,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(5-oxopyrrolidin-2-yl)ethylcarbamoyl]-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 73",466989,,O=C1CCC(CCNC(=O)C2C=CC3CN2C(=O)N3)N1
+COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O,984.55,6.098111918049697,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 35::US9120808, Example 36",178153,,C=C1OC2CC(=O)N2C1CC=Cc1ccccc1
+CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O,800.0,6.096910013008056,IC50,P62593,Beta-lactamase TEM,,"CHEMBL268632::Sodium; (R)-3-acetoxymethyl-5,5,8-trioxo-7-[1-pyridin-2-yl-meth-(Z)-ylidene]-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate",50033701,7699694.0,O=C1C(=Cc2ccccn2)C2N1C=CCS2(=O)=O
+CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O,800.0,6.096910013008056,IC50,P62593,Beta-lactamase TEM,,"CHEMBL37794::Sodium; (R)-3-acetoxymethyl-7-methylene-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate",50284783,,C=C1C(=O)N2C=CCS(=O)(=O)C12
+OB(O)c1cc2cc(CNc3ccc(cc3)N3CCOCC3)ccc2s1,800.0,6.096910013008056,Ki,P62593,Beta-lactamase TEM,,CHEMBL391537::pinacol 5-[(4-morpholin-4-yl-phenylamino)methyl]benzo[b]-thiophen-2-ylboronate,50225385,17956081.0,c1cc2cc(CNc3ccc(N4CCOCC4)cc3)ccc2s1
+CC(C)(C)C(=O)OCOC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O,870.6,6.06018133717862,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 19",178199,,C=C1OC2CC(=O)N2C1CC=Cc1ccccc1
+CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O,940.0,6.026872146400302,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-[[(2S,5R)-2-[tert-butoxycarbonylamino)methyl]-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoro-acetic acid lithium salt::US10800778, Example 76",466992,,O=C1NC2C=CCN1C2
+C=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1,945.4,6.024384402033105,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 2",178183,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+OCCN(CCO)Cc1ccc2sc(cc2c1)B(O)O,1000.0,6.0,Ki,P62593,Beta-lactamase TEM,,CHEMBL235097::pinacol 5-{[bis(2-hydroxyethyl)amino]methyl}benzo[b]thiophen-2-ylboronate,50225372,17956081.0,c1ccc2sccc2c1
+CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O,1000.0,6.0,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-phenyl-1H-[1,2,3]triazol-4-ylmethyl)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6220",50099192,11327608.0,O=C1C(Cc2cn(-c3ccccc3)nn2)C2N1CCS2(=O)=O
+CN(C)c1ccc(cc1)C1OB(O)c2cc3OCOc3cc12,1150.0,5.939302159646388,IC50,P62593,Beta-lactamase TEM,,CHEMBL4879305,50569224,33744439.0,B1OC(c2ccccc2)c2cc3c(cc21)OCO3
+CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O,1400.0,5.853871964321762,IC50,P62593,Beta-lactamase TEM,,"(2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(S)-3,3-Dimethyl-7-(R)-oxo-4,4-dioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid (Sulbactam)::CHEMBL403::CP-45,899::SULBACTAM::UNASYN::US9120808, Sulbactam sodium salt",50021954,10230626.0;10230627.0;11327608.0;17353248.0;3039137.0;3257523.0,O=C1CC2N1CCS2(=O)=O
+CN(C)c1ccc(cc1)C1OB(O)c2ccc(Cl)cc12,1540.0,5.812479279163537,IC50,P62593,Beta-lactamase TEM,,CHEMBL4855048,50569220,33744439.0,B1OC(c2ccccc2)c2ccccc21
+COc1ccc2B(O)OC(c2c1)c1ccc(cc1)N(C)C,1540.0,5.812479279163537,IC50,P62593,Beta-lactamase TEM,,CHEMBL4866950,50569222,33744439.0,B1OC(c2ccccc2)c2ccccc21
+CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O,1600.0,5.795880017344075,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-[1-(4-Fluoro-phenyl)-1H-[1,2,3]triazol-4-ylmethyl]-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6292",50099193,11327608.0,O=C1C(Cc2cn(-c3ccccc3)nn2)C2N1CCS2(=O)=O
+C[C@]1(Cn2nncc2C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O,1700.0,5.769551078621726,IC50,P62593,Beta-lactamase TEM,,"CHEMBL288566::dipotassium 1-{[(3R,4S)-4-carboxylato-3-methyl-2,2-dioxido-6-oxo-2-thiabicyclo[3.2.0]hept-3-yl]methyl}-1H-1,2,3-triazole-5-carboxylate",50021962,3039137.0,O=C1CC2C1CC(Cn1ccnn1)S2(=O)=O
+OB(O)c1cc2cc(CN3CCNCC3)ccc2s1,2000.0,5.698970004336019,Ki,P62593,Beta-lactamase TEM,,CHEMBL398112::pinacol 5-piperazin-1-ylmethylbenzo[b]thiophen-2-ylboronate,50225382,17956081.0,c1cc2cc(CN3CCNCC3)ccc2s1
+C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc2ccccc2c1,2030.0,5.692503962086787,Ki,P62593,Beta-lactamase TEM,,CHEMBL4450911,50518879,31269398.0,c1ccc2ccccc2c1
+OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1,3234.85,5.665391760475726,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 8::US9120808, Example 9",178189,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(C)cc1,2410.0,5.617982957425132,Ki,P62593,Beta-lactamase TEM,,CHEMBL4458011,50518902,31269398.0,c1ccccc1
+OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1,2500.0,5.6020599913279625,Ki,P62593,Beta-lactamase TEM,,"Amide and sulfonamide derivatives, 41",39856,11410378.0,O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1
+OB(O)C1=CCCS1,2500.0,5.6020599913279625,Ki,P62593,Beta-lactamase TEM,,CHEMBL236759::thiophene-2-ylboronic acid,50225388,17956081.0,C1=CSCC1
+COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O,2800.0,5.552841968657781,IC50,P62593,Beta-lactamase TEM,,"(2S,5S)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6221",50099186,11327608.0,O=C1CC2N1CCS2(=O)=O
+[O-]C(=O)c1ccccc1C(=C1C=C(I)C(=O)C(I)=C1)c1cc(I)c([O-])c(I)c1,3000.0,5.522878745280337,IC50,P62593,Beta-lactamase TEM,,"2-[(3,5-diiodo-4-oxidophenyl)(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate::2-[3,5-diiodo-4-olatophenyl(3,5-diiodo-4-oxo-2,5-cyclohexadienyliden)methyl]benzoate",50111589,13678405.0,O=C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1
+CNc1ccc(cc1)C1OB(O)c2ccccc12,3200.0,5.494850021680094,IC50,P62593,Beta-lactamase TEM,,CHEMBL4875825,50569216,33744439.0,B1OC(c2ccccc2)c2ccccc21
+COc1ccc(C[C@H](NC(=O)[C@H](C)CS)B(O)O)cc1,3360.0,5.473660722610156,Ki,P62593,Beta-lactamase TEM,,CHEMBL4464588,50518878,31269398.0,c1ccccc1
+Oc1c(I)cc(cc1I)C1(OC(=O)c2ccccc12)c1cc(I)c(O)c(I)c1,3400.0,5.468521082957745,IC50,P62593,Beta-lactamase TEM,,IODOPHTHALEIN,50530710,31589047.0,O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21
+CC(=O)NC[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O,3600.0,5.443697499232713,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-[[(2S,5R)-2- (acetamidomethyl)-3-methyl-7- oxo-1,6-diazabicyclo[3.2.1]oct-3- en-6-yl]oxy]-2-fluoro-acetic acid lithium salt::US10800778, Example 78",466994,,O=C1NC2C=CCN1C2
+O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1,3857.8,5.43089081173799,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 5::US9120808, Example 6",178186,,C=C1OC2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1
+OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,4982.3,5.403159796631515,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 38::US9120808, Example 38a",178205,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+OCC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,4124.9,5.384586575592751,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 39",178207,,O=C(OCc1ccccc1)C1C(=CCC=Cc2ccccc2)OC2CC(=O)N21
+C[C@H](CS)C(=O)N[C@@H](Cc1ccc(F)cc1)B(O)O,4160.0,5.380906669373258,Ki,P62593,Beta-lactamase TEM,,CHEMBL4560468,50518889,31269398.0,c1ccccc1
+CC1=C[C@@H]2CN([C@@H]1CNC(=O)C(F)(F)F)C(=O)N2O[C@@H](F)C(O)=O,4200.0,5.376750709602099,IC50,P62593,Beta-lactamase TEM,,"(2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[[(2,2,2-trifluoroacetyl)-aminolmethyl]-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 79",466995,,O=C1NC2C=CCN1C2
+CN(C)c1ccc(cc1)C1OB(O)c2cc(Cl)ccc12,4340.0,5.36251027048749,IC50,P62593,Beta-lactamase TEM,,CHEMBL4858119,50569223,33744439.0,B1OC(c2ccccc2)c2ccccc21
+ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1,4392.3,5.357308004647438,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 59",178180,,O=C(OCc1ccccc1)C1C(=C2CCOC2)OC2CC(=O)N21
+OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1,23055.25,5.3553602701791325,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 27::US9120808, Example 28",178145,,C=C1OC2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1
+OB1OC(c2ccccc12)c1ccccc1,4460.0,5.350665141287858,IC50,P62593,Beta-lactamase TEM,,CHEMBL4864824,50569204,33744439.0,B1OC(c2ccccc2)c2ccccc21
+OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1Cl,5500.0,5.259637310505756,IC50,P62593,Beta-lactamase TEM,,CHEMBL4083640,50247467,29271657.0,c1ccc(-c2ccccc2)cc1
+CN(C)c1ccc(cc1)C1OB(O)c2ccc(F)cc12,5680.0,5.245651664288981,IC50,P62593,Beta-lactamase TEM,,CHEMBL4875141,50569221,33744439.0,B1OC(c2ccccc2)c2ccccc21
+C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccccc1,6370.0,5.195860567664649,Ki,P62593,Beta-lactamase TEM,,CHEMBL4468952,50518901,31269398.0,c1ccccc1
+CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O,6500.0,5.187086643357144,IC50,P62593,Beta-lactamase TEM,,"(2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pent-2-enyl)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6311",50099188,11327608.0,O=C1CC2N1CCS2(=O)=O
+CC(=O)OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1,6602.2,5.18279802312297,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 11::US9120808, Example 12",178192,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O,6800.0,5.167491087293763,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL25766",50140666,14980686.0,O=C1CC2N1CCS2(=O)=O
+OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CS,6840.0,5.164943898279883,Ki,P62593,Beta-lactamase TEM,,CHEMBL4471138,50518882,31269398.0,c1ccc2occc2c1
+OB1OC(c2cccs2)c2ccccc12,6970.0,5.15676722190199,IC50,P62593,Beta-lactamase TEM,,CHEMBL4878895,50569205,33744439.0,B1OC(c2cccs2)c2ccccc21
+OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1,7300.0,5.136677139879544,Ki,P62593,Beta-lactamase TEM,,"Amide and sulfonamide derivatives, 33",39849,11410378.0,O=S(=O)(Nc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1
+CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O,7900.0,5.102372908709558,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-pyrrolidin-2-ylmethyl-1H-[1,2,3]triazol-4-ylmethyl)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6261",50099185,11327608.0,O=C1C(Cc2cn(CC3CCCN3)nn2)C2N1CCS2(=O)=O
+CC(=O)OCC1=C(N2[C@@H](C(=C(Cl)Cl)C2=O)S(=O)(=O)C1)C([O-])=O,8300.0,5.080921907623926,IC50,P62593,Beta-lactamase TEM,,"CHEMBL8111::Sodium; (R)-3-acetoxymethyl-7-dichloromethylene-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate",50033689,7699694.0,C=C1C(=O)N2C=CCS(=O)(=O)C12
+C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1,8386.3,5.076429605799113,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 3",178184,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O,8400.0,5.075720713938118,IC50,P62593,Beta-lactamase TEM,,"(2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pent-2-enyl)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6301",50099195,11327608.0,O=C1CC2N1CCS2(=O)=O
+COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O,8600.0,5.0655015487564325,IC50,P62593,Beta-lactamase TEM,,"(2S,5R)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6309",50099189,11327608.0,O=C1CC2N1CCS2(=O)=O
+COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O,11950.15,5.038390259073163,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 14::US9120808, Example 15",178194,,C=C1OC2CC(=O)N2C1CC=Cc1ccccc1
+Cc1ccc(cc1N1CCC1=O)C(O)=O,10000.0,5.0,Ki,P62593,Beta-lactamase TEM,,4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid::CHEMBL124880,50022785,3257523.0,O=C1CCN1c1ccccc1
+C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(C(C)(C)C)S2(=O)=O,10000.0,5.0,IC50,P62593,Beta-lactamase TEM,,"CHEMBL67925::Potassium; (5R,6S)-3-tert-butyl-6-((R)-1-hydroxy-ethyl)-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50290040,,O=C1CC2N1C=CS2(=O)=O
+C[C@H](CS)C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O,10770.0,4.9677842967020185,Ki,P62593,Beta-lactamase TEM,,CHEMBL4439726,50518890,31269398.0,c1ccc2occc2c1
+CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O,11300.0,4.96627857861181,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL24878::Sodium; (2S,5R,6S)-6-hydroxymethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076672,10230626.0;14980686.0,O=C1CC2N1CCS2(=O)=O
+CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O,12000.0,4.920818753952375,IC50,P62593,Beta-lactamase TEM,,"(2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but-2-enyl)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6286",50099196,11327608.0,O=C1CC2N1CCS2(=O)=O
+CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2=O)C1=O,12000.0,4.920818753952375,IC50,P62593,Beta-lactamase TEM,,"(2S,5R)-6-[(E)-3-(Methoxy-methyl-carbamoyl)-allyl]-3,3-dimethyl-4,7-dioxo-4lambda*4*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL267627",50099187,11327608.0,O=C1CC2N1CCS2=O
+Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl,13000.0,4.886056647693163,Ki,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,5R,6R)-6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL891::CLOXAPEN::TEGOPEN::cloxacillin",50022788,3257523.0,O=C(NC1C(=O)N2CCSC12)c1conc1-c1ccccc1
+COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O,13259.6,4.877469577018198,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 17",178197,,C=C1CN2C(=O)CC2O1
+C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(C)cc1,13500.0,4.8696662315049934,Ki,P62593,Beta-lactamase TEM,,CHEMBL4472399,50518907,31269398.0,c1ccccc1
+OB(O)c1cccc(c1)-c1ccccc1,13900.0,4.856985199745905,Ki,P62593,Beta-lactamase TEM,,"(3-phenylphenyl)boranediol::Phenylboronic Acid, 5",26126,,c1ccc(-c2ccccc2)cc1
+C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(F)cc1,14170.0,4.848630149752539,Ki,P62593,Beta-lactamase TEM,,CHEMBL4453017,50518892,31269398.0,c1ccccc1
+CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(O)=O,15000.0,4.823908740944319,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-{1-[2-Amino-3-(4-hydroxy-phenyl)-propyl]-1H-[1,2,3]triazol-4-ylmethyl}-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL263882",50099194,11327608.0,O=C1C(Cc2cn(CCCc3ccccc3)nn2)C2N1CCS2(=O)=O
+C[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)B(O)O,15410.0,4.812197361281581,Ki,P62593,Beta-lactamase TEM,,CHEMBL4454286,50518895,31269398.0,c1ccccc1
+OB(O)[C@H](Cc1ccccc1)NC(=O)CCS,15840.0,4.800244822746525,Ki,P62593,Beta-lactamase TEM,,CHEMBL4527309,50518887,31269398.0,c1ccccc1
+CCCC1(N2[C@@H](CC2=O)OC1=CCO)C([O-])=O,17789.0,4.749848464883388,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 56",178213,,C=C1CN2C(=O)CC2O1
+OB(O)[C@H](Cc1ccccc1)NC(=O)CS,18730.0,4.727462222624762,Ki,P62593,Beta-lactamase TEM,,CHEMBL4444728,50518906,31269398.0,c1ccccc1
+CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O,20000.0,4.698970004336019,Ki,P62593,Beta-lactamase TEM,,"(+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)::(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion (Penicillin G)::3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)::BICILLIN::PENICILLIN G::PENICILLIN G PROCAINE::PENICILLIN-2::PERMAPEN::PFIZERPEN::PFIZERPEN-AS::benzylpenicillin",50022787,3257523.0,O=C(Cc1ccccc1)NC1C(=O)N2CCSC12
+Cc1ccc(cc1N1CC(F)C1=O)C(O)=O,20000.0,4.698970004336019,Ki,P62593,Beta-lactamase TEM,,3-(3-Fluoro-2-oxo-azetidin-1-yl)-4-methyl-benzoic acid::CHEMBL125999,50022786,3257523.0,O=C1CCN1c1ccccc1
+OC(=O)c1ccc2CCC3CC(=O)N3c2c1,20000.0,4.698970004336019,Ki,P62593,Beta-lactamase TEM,,"1-Oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]quinoline-7-carboxylic acid::CHEMBL333494",50022790,3257523.0,O=C1CC2CCc3ccccc3N12
+CN(C)c1ccc(cc1)C1OB(O)c2cccc(F)c12,20730.0,4.683400697906139,IC50,P62593,Beta-lactamase TEM,,CHEMBL4856812,50569218,33744439.0,B1OC(c2ccccc2)c2ccccc21
+OCC=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1,23621.5,4.626692527508335,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 40",178208,,C=C1OC2CC(=O)N2C1C(=O)OCc1ccccc1
+CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O,24000.0,4.619788758288394,IC50,P62593,Beta-lactamase TEM,,"(2S,5S)-6-((E)-3-Cyano-allyl)-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL267626",50099191,11327608.0,O=C1CC2N1CCS2(=O)=O
+OB(O)c1ccc(Br)cc1,28000.0,4.552841968657781,Ki,P62593,Beta-lactamase TEM,,4-Bromophenyl-boronic acid::4-bromo phenyl boronic acid::4-bromophenyl boronic acid::4-bromophenylboronic acid::Boronic acid derivative::CHEMBL20866,50067892,,c1ccccc1
+OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)NCc1ccccc1,28020.0,4.552531869050244,Ki,P62593,Beta-lactamase TEM,,CHEMBL4460555,50518899,31269398.0,O=C(CNCc1ccccc1)NCCc1ccccc1
+OB(O)CCc1ccccc1,29800.0,4.525783735923745,Ki,P62593,Beta-lactamase TEM,,"(2-phenylethyl)boranediol::Alkylboronic Acid, 21",26142,,c1ccccc1
+CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O,31000.0,4.508638306165727,IC50,P62593,Beta-lactamase TEM,,"CHEMBL265722::Sodium; (2S,5R,6R)-6-hydroxymethyl-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076675,10230626.0,O=C1CC2SCCN12
+C\C=C1/[C@@H]2C3CSCCC3=C(N2C1=O)C([O-])=O,32000.0,4.494850021680094,IC50,P62593,Beta-lactamase TEM,,"CHEMBL175015::Sodium; (S)-2-eth-(E)-ylidene-1-oxo-2,2a,2b,3,5,6-hexahydro-1H-4-thia-7a-aza-cyclobuta[a]indene-7-carboxylate",50112051,11959006.0,C=C1C(=O)N2C=C3CCSCC3C12
+C[C@H](CS)C(=O)N[C@H](Cc1coc2ccccc12)B(O)O,32700.0,4.485452247339714,Ki,P62593,Beta-lactamase TEM,,CHEMBL4460127,50518891,31269398.0,c1ccc2occc2c1
+OC(=O)c1ccc(cc1CS)-c1ccc(F)cc1,32800.0,4.484126156288321,IC50,P62593,Beta-lactamase TEM,,CHEMBL4065946,50247459,29271657.0,c1ccc(-c2ccccc2)cc1
+OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)N1C(=O)c2ccccc2C1=O,32820.0,4.483861423282925,Ki,P62593,Beta-lactamase TEM,,CHEMBL4471673,50518886,31269398.0,O=C(CN1C(=O)c2ccccc2C1=O)NCCc1ccccc1
+OB1OC(c2ccccc12)c1ccc(cc1)N1CCCCC1,32960.0,4.482012796974922,IC50,P62593,Beta-lactamase TEM,,CHEMBL4861373,50569217,33744439.0,B1OC(c2ccc(N3CCCCC3)cc2)c2ccccc21
+OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CCS,35740.0,4.446845451830375,Ki,P62593,Beta-lactamase TEM,,CHEMBL4455145,50518881,31269398.0,c1ccc2occc2c1
+CCC(=O)NCB(O)O,36260.0,4.44057220024051,Ki,P62593,Beta-lactamase TEM,,CHEMBL4588584,50518884,31269398.0,
+CNc1ccc(cc1)C1OB(O)c2cccc(F)c12,37870.0,4.421704694879174,IC50,P62593,Beta-lactamase TEM,,CHEMBL4849046,50569219,33744439.0,B1OC(c2ccccc2)c2ccccc21
+C\C=C1/[C@@H]2C3CCCCC3=C(N2C1=O)C([O-])=O,39000.0,4.4089353929735005,IC50,P62593,Beta-lactamase TEM,,"CHEMBL368418::Sodium; (S)-1-eth-(E)-ylidene-2-oxo-1,2,5,6,7,8,8a,8b-octahydro-azeto[2,1-a]isoindole-4-carboxylate",50112048,11959006.0,C=C1C(=O)N2C=C3CCCCC3C12
+OC(=O)c1ccc2C(F)CC3CC(=O)N3c2c1,39000.0,4.4089353929735005,Ki,P62593,Beta-lactamase TEM,,"4-Fluoro-1-oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]quinoline-7-carboxylic acid::CHEMBL125658",50022789,3257523.0,O=C1CC2CCc3ccccc3N12
+Cc1ccc(cc1N1CC(Br)C1=O)C(O)=O,40000.0,4.3979400086720375,Ki,P62593,Beta-lactamase TEM,,3-(3-Bromo-2-oxo-azetidin-1-yl)-4-methyl-benzoic acid::CHEMBL338512,50022794,3257523.0,O=C1CCN1c1ccccc1
+C[C@H](CS)C(=O)NCB(O)O,40970.0,4.3875340360468575,Ki,P62593,Beta-lactamase TEM,,CHEMBL4450628,50518897,31269398.0,
+OB(O)CCc1ccc(Cl)cc1,41000.0,4.3872161432802645,Ki,P62593,Beta-lactamase TEM,,2-(4Chlorophenyl)ethyl boronic acid::Boronic acid derivative::CHEMBL21447,50282562,,c1ccccc1
+OB(O)CCc1ccc(cc1)C(F)(F)F,43000.0,4.366531544420414,Ki,P62593,Beta-lactamase TEM,,2-(4-Trifluoromethylphenyl)ethyl boronic acid::CHEMBL20560,50282569,,c1ccccc1
+OB(O)CCc1ccc2ccccc2c1,44000.0,4.356547323513812,Ki,P62593,Beta-lactamase TEM,,2-(2-Naphthyl)ethyl boronic acid::Boronic acid derivative::CHEMBL21848,50282563,,c1ccc2ccccc2c1
+C[C@@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O,47900.0,4.319664486585436,IC50,P62593,Beta-lactamase TEM,,"CHEMBL177912::Sodium; (2S,5R,6S)-6-((R)-1-hydroxy-ethyl)-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076677,10230626.0,O=C1CC2N1CCS2(=O)=O
+OB(O)CCc1ccc(cc1)C(O)=O,49000.0,4.309803919971486,Ki,P62593,Beta-lactamase TEM,,2-(4-Carboxyphenyl)ethyI boronic acid::CHEMBL21123,50282561,,c1ccccc1
+OC(=O)c1ccc2C(Cl)CC3CC(=O)N3c2c1,50000.0,4.301029995663981,Ki,P62593,Beta-lactamase TEM,,"4-Chloro-1-oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]quinoline-7-carboxylic acid::CHEMBL122500",50022792,3257523.0,O=C1CC2CCc3ccccc3N12
+COc1cccc(CCB(O)O)c1,50000.0,4.301029995663981,Ki,P62593,Beta-lactamase TEM,,2-(3-Methoxyphenyl)ethyl boronic acid::CHEMBL281783,50282575,,c1ccccc1
+C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-])=O)C(C)(C)C,50000.0,4.301029995663981,IC50,P62593,Beta-lactamase TEM,,"CHEMBL69141::Potassium; (5R,6S)-3-tert-butyl-6-((R)-1-hydroxy-ethyl)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50290039,,O=C1CC2SC=CN12
+CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O,51700.0,4.286509456906058,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL24235",50140668,14980686.0,O=C1CC2N1CCS2(=O)=O
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31,55900.0,4.252588192113577,IC50,P62593,Beta-lactamase TEM,,CHEBI:31638::Faslodex::Fulvestrant::ICI-182780::ZD-9238,50238741,31589047.0,c1ccc2c(c1)CCC1C2CCC2CCCC21
+Cc1ccc(CCB(O)O)cc1,58000.0,4.236572006437063,Ki,P62593,Beta-lactamase TEM,,2-(4-Methylphenyl)ethyl boronic acid::CHEMBL20678,50282570,,c1ccccc1
+OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1,58100.0,4.235823867609669,Ki,P62593,Beta-lactamase TEM,,"3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID::4-Benzenesulfonyl-thiophene-2-sulfonic acid (3-dihydroxyboranyl-phenyl)-amide::Amide and sulfonamide derivatives, 2::Aza-boronic acid derivative::CHEMBL113381",50115616,11410378.0,O=S(=O)(Nc1ccccc1)c1cc(S(=O)(=O)c2ccccc2)cs1
+CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O,59000.0,4.229147988357856,IC50,P62593,Beta-lactamase TEM,,"CHEMBL177463::Sodium; (2S,5R,6S)-6-hydroxymethyl-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076676,10230626.0,O=C1CC2SCCN12
+Cc1ccc(cc1N1CC(F)(Br)C1=O)C(O)=O,60000.0,4.221848749616356,Ki,P62593,Beta-lactamase TEM,,3-(3-Bromo-3-fluoro-2-oxo-azetidin-1-yl)-4-methyl-benzoic acid::CHEMBL125652,50022795,3257523.0,O=C1CCN1c1ccccc1
+C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(F)cc1,67940.0,4.167874457465991,Ki,P62593,Beta-lactamase TEM,,CHEMBL4545947,50518893,31269398.0,c1ccccc1
+C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccccc1,68590.0,4.163739197141513,Ki,P62593,Beta-lactamase TEM,,CHEMBL4517893,50518896,31269398.0,c1ccccc1
+CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O,69200.0,4.1598939055432425,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL26275",50140669,14980686.0,O=C1CC2N1CCS2(=O)=O
+CC(C)C[C@@H](NC(=O)[C@H](C)CS)B(O)O,70550.0,4.151502981909633,Ki,P62593,Beta-lactamase TEM,,CHEMBL4546207,50518877,31269398.0,
+COc1ccc(C[C@@H](NC(=O)[C@H](C)CS)B(O)O)cc1,80720.0,4.093018846771146,Ki,P62593,Beta-lactamase TEM,,CHEMBL4543432,50518908,31269398.0,c1ccccc1
+Cc1ccc(cc1N1CC(F)(F)C1=O)C(O)=O,83000.0,4.080921907623926,Ki,P62593,Beta-lactamase TEM,,"3-(3,3-Difluoro-2-oxo-azetidin-1-yl)-4-methyl-benzoic acid::CHEMBL338243",50022793,3257523.0,O=C1CCN1c1ccccc1
+OB(O)c1cccc(Br)c1,83000.0,4.080921907623926,Ki,P62593,Beta-lactamase TEM,,3-Bromophenyl boronic acid::CHEMBL278140,50282571,,c1ccccc1
+Cc1cccc(CCB(O)O)c1,83000.0,4.080921907623926,Ki,P62593,Beta-lactamase TEM,,2-(3-Methylphenyl)ethyl boronic acid::CHEMBL281606,50282566,,c1ccccc1
+OB1OC(c2ccccc12)c1c[nH]c2ccc(F)cc12,88830.0,4.051440337891038,IC50,P62593,Beta-lactamase TEM,,CHEMBL4861951,50569207,33744439.0,B1OC(c2c[nH]c3ccccc23)c2ccccc21
+C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(S2=O)C(C)(C)C,90000.0,4.045757490560675,IC50,P62593,Beta-lactamase TEM,,"CHEMBL419441::Potassium; (5R,6S)-3-tert-butyl-6-((R)-1-hydroxy-ethyl)-4,7-dioxo-4lambda*4*-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50290038,,O=C1CC2N1C=CS2=O
+OB(O)c1ccc(Cl)cc1Cl,94000.0,4.026872146400302,Ki,P62593,Beta-lactamase TEM,,"2,4-Dichlorophenyl boronic acid::2,4-dichloro benzene boronic acid::Boronic acid derivative::CHEMBL20726",50282564,,c1ccccc1
+C\C=C1/[C@H]2C3CSCCC3=C(N2C1=O)C([O-])=O,100000.0,4.0,IC50,P62593,Beta-lactamase TEM,,"CHEMBL176949::Sodium; (R)-2-eth-(E)-ylidene-1-oxo-2,2a,2b,3,5,6-hexahydro-1H-4-thia-7a-aza-cyclobuta[a]indene-7-carboxylate",50112047,11959006.0,C=C1C(=O)N2C=C3CCSCC3C12
+CCCC(=O)NCB(O)O,100280.0,3.998785674713821,Ki,P62593,Beta-lactamase TEM,,CHEMBL4577981,50518883,31269398.0,
+OB(O)CCc1cccc2ccccc12,101000.0,3.9956786262173574,Ki,P62593,Beta-lactamase TEM,,2-(1-Naphthyl)ethyl boronic acid::CHEMBL20434,50282574,,c1ccc2ccccc2c1
+OB(O)CCc1ccccc1Cl,106000.0,3.9746941347352296,Ki,P62593,Beta-lactamase TEM,,2-(2-Chlorophenyl)ethyl boronic acid::CHEMBL279974,50282565,,c1ccccc1
+OB(O)[C@H](Cc1ccccc1)NC(=O)C(CS)Cc1ccccc1,114070.0,3.942828558452734,Ki,P62593,Beta-lactamase TEM,,CHEMBL4451026,50518885,31269398.0,O=C(CCc1ccccc1)NCCc1ccccc1
+CCCC(CO)=C1O[C@@H]2CC(=O)N2C1C([O-])=O,118403.0,3.92663729366935,IC50,P62593,Beta-lactamase TEM,,"US9120808, Example 55",178212,,C=C1CN2C(=O)CC2O1
+C\C=C1/[C@H]2C3CCCCC3=C(N2C1=O)C([O-])=O,120000.0,3.9208187539523753,IC50,P62593,Beta-lactamase TEM,,"CHEMBL174970::Sodium; (R)-1-eth-(E)-ylidene-2-oxo-1,2,5,6,7,8,8a,8b-octahydro-azeto[2,1-a]isoindole-4-carboxylate",50112049,11959006.0,C=C1C(=O)N2C=C3CCCCC3C12
+O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O,121000.0,3.9172146296835497,Ki,P62593,Beta-lactamase TEM,,3-NITROPHENYLBORONIC ACID::3-Nitro-phenyl-1-dihydroxyborane::3-Nitrophenyl boronic acid::Boronic acid derivative::CHEMBL20945::m-nitophenyl boronic acid,50067887,,c1ccccc1
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,125000.0,3.9030899869919438,IC50,P62593,Beta-lactamase TEM,,"1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid::Brentan::CHEMBL91::Dactarin::Miconazole::US9138393, Miconazole Nitrate::US9144538, Miconazole Nitrate::cid_4189",31772,31589047.0,c1ccc(COC(Cn2ccnc2)c2ccccc2)cc1
+Cc1ccccc1CCB(O)O,141000.0,3.8507808873446203,Ki,P62593,Beta-lactamase TEM,,2-(2-Methylphenyl)ethyl boronic acid::CHEMBL21503,50282572,,c1ccccc1
+OB(O)c1ccc(Cl)c(Cl)c1,143000.0,3.844663962534938,Ki,P62593,Beta-lactamase TEM,,"3,4-Dichlorophenyl boronic acid::3,4-dichloro benzene boronic acid::CHEMBL20776::Phenylboronic acid, 9",50282567,,c1ccccc1
+OB(O)c1ccc(F)c(Cl)c1,152000.0,3.8181564120552274,Ki,P62593,Beta-lactamase TEM,,3-Chloro-4-fluorophenyl boronic acid::CHEMBL279024,50282573,,c1ccccc1
+Cc1ccc(cc1N1CC(Br)(Br)C1=O)C(O)=O,160000.0,3.7958800173440754,Ki,P62593,Beta-lactamase TEM,,"3-(3,3-Dibromo-2-oxo-azetidin-1-yl)-4-methyl-benzoic acid::CHEMBL123270",50022791,3257523.0,O=C1CCN1c1ccccc1
+CC(C)[C@H](NC(=O)[C@H](C)CS)B(O)O,165780.0,3.780467864699845,Ki,P62593,Beta-lactamase TEM,,CHEMBL4445648,50518903,31269398.0,
+CC(C)C[C@H](NC(=O)[C@H](C)CS)B(O)O,170700.0,3.7677664788852665,Ki,P62593,Beta-lactamase TEM,,CHEMBL4469059,50518905,31269398.0,
+C[C@H](CS)C(=O)N[C@H](Cc1ccc(F)cc1)B(O)O,178980.0,3.7471954962542937,Ki,P62593,Beta-lactamase TEM,,CHEMBL4545274,50518900,31269398.0,c1ccccc1
+C[C@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O,204000.0,3.6903698325741012,IC50,P62593,Beta-lactamase TEM,,"CHEMBL175189::Sodium; (2S,5R,6R)-6-((S)-1-hydroxy-ethyl)-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate",50076673,10230626.0,O=C1CC2N1CCS2(=O)=O
+C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc2ccccc2c1,215720.0,3.6661095883838755,Ki,P62593,Beta-lactamase TEM,,CHEMBL4444926,50518894,31269398.0,c1ccc2ccccc2c1
+CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O,275000.0,3.560667306169737,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::Beta-lactam compound, 1::CHEMBL277857",50140671,14980686.0,O=C1CC2SCCN12
+OB(O)CCC1CCCCC1,276000.0,3.5590909179347823,Ki,P62593,Beta-lactamase TEM,,2-Cyclohexylethyl boronic acid::CHEMBL277463,50282568,,C1CCCCC1
+COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O,340000.0,3.468521082957745,IC50,P62593,Beta-lactamase TEM,,"CHEMBL27621::Potassium; (5R,6S)-6-((R)-1-hydroxy-ethyl)-3-methoxy-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate",50089777,10890171.0,O=C1CC2CC=CN12
+CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O,6706700.0,3.3728952016351927,IC50,P62593,Beta-lactamase TEM,,CHEMBL33995::SB-202742,50469657,8064298.0,c1ccccc1
+OB(O)c1ccccc1,491000.0,3.3089185078770313,Ki,P62593,Beta-lactamase TEM,,"CHEMBL21485::PhB(OH)2::Phenyl-boronic acid::Phenylboronic acid, 22::benzeneboronic acid::phenylboranediol::phenylboronic acid",26996,,c1ccccc1
+CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O,601000.0,3.2211255279972604,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL25644",50140673,14980686.0,O=C1CC2SCCN12
+CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O,648000.0,3.1884249941294067,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL277225",50140667,14980686.0,O=C1CC2SCCN12
+COc1ccc(cc1)B(O)O,670000.0,3.1739251972991736,Ki,P62593,Beta-lactamase TEM,,"(4-methoxyphenyl)boranediol::CHEMBL21427::Phenylboronic Acid, 12",26133,,c1ccccc1
+CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O,752000.0,3.123782159408358,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::Beta-lactam compound, 2::CHEMBL25613",50140672,14980686.0,O=C1CC2SCCN12
+CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O,988000.0,3.0052430554123717,IC50,P62593,Beta-lactamase TEM,,"(2S,5R,6S)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL24275",50140670,14980686.0,O=C1CC2SCCN12
+CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O,2200000.0,2.657577319177794,IC50,P62593,Beta-lactamase TEM,,CHEMBL30915,50469660,,c1ccccc1
+OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C,2330000.0,2.632644078973981,IC50,P62593,Beta-lactamase TEM,,"2-Hydroxy-6-pentadecyl-benzoic acid::2-Pentadecyl-6-hydroxybenzoic acid::2-hydroxy-6-((8Z,11Z)-pentadeca-8,11,14-trienyl)benzoic acid::2-hydroxy-6-pentadecylbenzoic acid::6-[8(Z),11(Z),14-pentadecatrienyl]salicylic acid::6-pentadecatrienylsalicylic acid::6-pentadecylsalicylic acid::6-{8(Z),11(Z),14-pentadecatrienyl}salicylic acid::6[8'(Z ),11'(Z ),14'-pentadecatrienyl]salicylicacid::BPH-953::CHEMBL455368::anacardic acid",50292429,,c1ccccc1
+Nc1cccc(c1)B(O)O,3700000.0,2.431798275933005,Ki,P62593,Beta-lactamase TEM,,"(3-aminophenyl)boronic acid, 1::3-aminophenyl boronic acid::3-aminophenylboronic acid::Aza-boronic acid derivative::Boronic acid derivative::CHEMBL20852::M-AMINOPHENYLBORONIC ACID",50067906,,c1ccccc1
+CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O,5040000.0,2.2975694635544746,IC50,P62593,Beta-lactamase TEM,,CHEMBL30914,50469665,,c1ccccc1
+CCCCCCCCCCc1cccc(O)c1,8100000.0,2.09151498112135,IC50,P62593,Beta-lactamase TEM,,3-Decyl-Phenol::CHEMBL33202,50469664,,c1ccccc1
+CC(C)CCCCCCCCCCCCCc1cccc(O)c1C(O)=O,26700000.0,1.5734887386354248,IC50,P62593,Beta-lactamase TEM,,CHEMBL34277,50469656,,c1ccccc1
+CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O,27500000.0,1.5606673061697374,IC50,P62593,Beta-lactamase TEM,,CHEMBL34634,50469658,,c1ccccc1
+CCCCCCCCCCc1cccc(O)c1C(O)=O,43100000.0,1.3655227298392685,IC50,P62593,Beta-lactamase TEM,,6-Decylsalicylic Acid::CHEMBL416038,50469667,,c1ccccc1
+CCCCCCCCCCc1ccccc1C(O)=O,68600000.0,1.1636758842932482,IC50,P62593,Beta-lactamase TEM,,2-Decyl-Benzoic Acid::CHEMBL284924,50469659,,c1ccccc1
+CCCCCCCCCCc1cccc(OC)c1C(O)=O,184000000.0,0.7351821769904635,IC50,P62593,Beta-lactamase TEM,,CHEMBL30870,50469661,,c1ccccc1
+CCCCCCCCCCc1cccc(O)c1O,199000000.0,0.7011469235902933,IC50,P62593,Beta-lactamase TEM,,CHEMBL33019,50469663,,c1ccccc1
+CCCCCCCCc1cccc(O)c1C(O)=O,207000000.0,0.6840296545430822,IC50,P62593,Beta-lactamase TEM,,6-Octylsalicylic Acid::CHEMBL33379,50469666,,c1ccccc1
+CCCCCCCCCCCCCCCc1cccc(O)c1O,2147483647.0,-0.33192986538118296,IC50,P62593,Beta-lactamase TEM,,CHEBI:59111::CHEMBL8087,50469662,,c1ccccc1