Hugging Face's logo

Spaces:
scbirlab
/
mic-predict
Sleeping

App Files Community
1
eachanjohnson commited on
Commit
df408ff
·
verified ·
1 Parent(s): f3b883d

Sync from GitHub via hub-sync

Browse files
Files changed (21) hide show
  1. cache/df-load/074172adffe68309.csv +0 -12
  2. cache/df-load/1057f338a75bdff4.csv +0 -101
  3. cache/df-load/1ed5ec5dadab00c8.csv +0 -4
  4. cache/df-load/3ea54b085c2190db.csv +0 -3
  5. cache/df-load/4e89a7aef77ab675.csv +0 -7
  6. cache/df-load/5af2e314acdb826c.csv +0 -5
  7. cache/df-load/5b64386603485717.csv +0 -101
  8. cache/df-load/6f76d8f645ecfde2.csv +0 -4
  9. cache/df-load/7c8707468371d23b.csv +0 -3
  10. cache/df-load/82a4343b05ae4ffd.csv +0 -7
  11. cache/df-load/8babc8c5505828c4.csv +0 -101
  12. cache/df-load/902abd7f7155df13.csv +0 -6
  13. cache/df-load/bb51a90bb1094256.csv +0 -101
  14. cache/df-load/bd9aba8913b76558.csv +0 -4
  15. cache/duvidnn/0.0.2/models--scbirlab--spark-dv-2510-wt/refs/main +0 -1
  16. cache/matplotlib/fontlist-v390.json +0 -2174
  17. data/repos.json +0 -12
  18. demo/utils/config.py +8 -3
  19. demo/utils/interface.py +2 -2
  20. demo/utils/plots.py +4 -4
  21. requirements.txt +1 -1
cache/df-load/074172adffe68309.csv DELETED
@@ -1,12 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 55907057,doxorubicin,31703,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,AOJJSUZBOXZQNB-TZSSRYMLSA-N,543.1740607479999,0.0012999999999995793,Escherichia coli,Broth microdilution,
3
- 15968459,5-fluorouracil,3385,O=c1[nH]cc(F)c(=O)[nH]1,GHASVSINZRGABV-UHFFFAOYSA-N,130.017855556,-0.7977000000000001,Escherichia coli,Broth microdilution,
4
- 56240604,carmofur,2577,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,AOCCBINRVIKJHY-UHFFFAOYSA-N,257.117569592,0.8136999999999999,Escherichia coli,Broth microdilution,
5
- 45772418,etoposide,36462,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,VJJPUSNTGOMMGY-MRVIYFEKSA-N,588.1842910839999,1.3385999999999993,Escherichia coli,Broth microdilution,
6
- 37364014,bleomycin,5360373,Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1,OYVAGSVQBOHSSS-WXFSZRTFSA-O,1414.51843212809,-7.703580000000028,Escherichia coli,Broth microdilution,
7
- 74027950,cyclophosphamide,2907,O=P1(N(CCCl)CCCl)NCCCO1,CMSMOCZEIVJLDB-UHFFFAOYSA-N,260.02481971000003,1.884,Escherichia coli,Broth microdilution,
8
- 11371469,vincristine,5978,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,OGWKCGZFUXNPDA-XQKSVPLYSA-N,824.3996439920003,3.517500000000003,Escherichia coli,Broth microdilution,
9
- 27859814,procarbazine,4915,CNNCc1ccc(C(=O)NC(C)C)cc1,CPTBDICYNRMXFX-UHFFFAOYSA-N,221.152812228,1.0488,Escherichia coli,Broth microdilution,
10
- 38814951,"cis-oxalato-trans-l-1,2-diaminocyclohexane platinum(ii)",131727701,O=C(O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2],DRMCATBEKSVAPL-BNTLRKBRSA-N,397.060148028,1.5551000000000001,Escherichia coli,Broth microdilution,
11
- 74454963,docetaxel,148124,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,ZDZOTLJHXYCWBA-VCVYQWHSSA-N,807.3466053760001,3.259600000000003,Escherichia coli,Broth microdilution,
12
- 71683740,gemcitabine,60750,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,SDUQYLNIPVEERB-QPPQHZFASA-N,263.071762272,-1.2886000000000004,Escherichia coli,Broth microdilution,
 
 
 
 
 
 
 
 
 
 
 
 
 
cache/df-load/1057f338a75bdff4.csv DELETED
@@ -1,101 +0,0 @@
1
- id,smiles,inchikey,mwt,clogp,pubchem_name,pubchem_id,scaffold,tpsa,normalized_inhibition,SMILES,mic_method,full_strain_name,pmic
2
- 10022076,CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,YPHMISFOHDHNIV-UHFFFAOYSA-N,281.162708216,1.0415,"4-(2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)-2,6-piperidinedione",2900.0,O=C1CC(CCC2CCCCC2=O)CC(=O)N1,83.47,0.793965,CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,Broth microdilution,Escherichia coli K-12,
3
- 10033206,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,JYJTVFIEFKZWCJ-UHFFFAOYSA-N,360.148535372,2.3071,nadifloxacin,4410.0,O=c1ccn2c3c(c(N4CCCCC4)ccc13)CCC2,82.77000000000001,0.9516185,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,Broth microdilution,Escherichia coli K-12,
4
- 10172814,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,MFYSYFVPBJMHGN-UHFFFAOYSA-N,360.1936739959999,1.9898000000000002,cortisone-[2h7],521440.0,O=C1C=C2CCC3C4CCCC4CC(=O)C3C2CC1,91.67,-0.02705,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,Broth microdilution,Escherichia coli K-12,
5
- 10213451,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,ZAFYATHCZYHLPB-UHFFFAOYSA-N,307.168462292,3.2488400000000013,zolpidem,5732.0,c1ccc(-c2cn3ccccc3n2)cc1,37.61000000000001,0.1643949999999999,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,Broth microdilution,Escherichia coli K-12,
6
- 10236515,Cc1cc(=O)oc2cc(O)ccc12,HSHNITRMYYLLCV-UHFFFAOYSA-N,176.047344116,1.8070199999999998,4-methylumbelliferone,5280567.0,O=c1ccc2ccccc2o1,50.44,0.099755,Cc1cc(=O)oc2cc(O)ccc12,Broth microdilution,Escherichia coli K-12,
7
- 10290301,CCc1cc(C(N)=S)ccn1,AEOCXXJPGCBFJA-UHFFFAOYSA-N,166.05646932,1.2782,ethionamide,2761171.0,c1ccncc1,38.91,0.0200799999999999,CCc1cc(C(N)=S)ccn1,Broth microdilution,Escherichia coli K-12,
8
- 10328898,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,JXBBWYGMTNAYNM-UHFFFAOYSA-N,402.24379142000004,5.252000000000007,n-benzyl-n-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydron;chloride,44140621.0,c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1,15.71,-0.0050499999999999,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,Broth microdilution,Escherichia coli K-12,
9
- 10464395,Cc1cn[nH]c1,RIKMMFOAQPJVMX-UHFFFAOYSA-N,82.053098192,0.7181199999999999,4-methylpyrazole,3406.0,c1cn[nH]c1,28.68,-0.03255,Cc1cn[nH]c1,Broth microdilution,Escherichia coli K-12,
10
- 10758343,CC=CC(=O)N(CC)c1ccccc1C,DNTGGZPQPQTDQF-UHFFFAOYSA-N,203.131014164,2.9240200000000014,crotamiton,2883.0,c1ccccc1,20.31,-0.050335,CC=CC(=O)N(CC)c1ccccc1C,Broth microdilution,Escherichia coli K-12,
11
- 10764059,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,WIIZWVCIJKGZOK-UHFFFAOYSA-N,322.01232684400003,0.9089999999999998,"2,2-dichloro-n-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)acetamide",298.0,c1ccccc1,112.70000000000002,0.9571795,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,Broth microdilution,Escherichia coli K-12,
12
- 10859329,O=C(CNC(=O)c1ccc(Cl)cc1)NO,JFZGBMJPJZDNNT-UHFFFAOYSA-N,228.030169828,0.5751999999999999,benurestat,38000.0,c1ccccc1,78.43,0.02009,O=C(CNC(=O)c1ccc(Cl)cc1)NO,Broth microdilution,Escherichia coli K-12,
13
- 10914236,COc1c2ccoc2cc2oc(=O)ccc12,BGEBZHIAGXMEMV-UHFFFAOYSA-N,216.042258736,2.5478000000000005,bergapten,2355.0,O=c1ccc2cc3ccoc3cc2o1,52.580000000000005,-0.1147,COc1c2ccoc2cc2oc(=O)ccc12,Broth microdilution,Escherichia coli K-12,
14
- 10962854,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,QFRUZVNPYYYLAN-UHFFFAOYSA-N,472.2461034919999,4.354100000000003,"methyl 2-[13-(furan-3-yl)-5-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate",3685255.0,C=C1C2CCC3C(c4ccoc4)OC(=O)CC13OC1CCCCC12,95.2,-0.0272749999999999,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,Broth microdilution,Escherichia coli K-12,
15
- 10993587,CC=Cc1ccc(OC)cc1,RUVINXPYWBROJD-UHFFFAOYSA-N,148.088815004,2.728300000000001,1-methoxy-4-prop-1-enylbenzene,7703.0,c1ccccc1,9.23,-0.09355,CC=Cc1ccc(OC)cc1,Broth microdilution,Escherichia coli K-12,
16
- 11398298,O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,RGCKGOZRHPZPFP-UHFFFAOYSA-N,240.042258736,1.8732000000000006,alizarin,6293.0,O=C1c2ccccc2C(=O)c2ccccc21,74.60000000000001,-0.1427,O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,Broth microdilution,Escherichia coli K-12,
17
- 11572210,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O,FPZLLRFZJZRHSY-UHFFFAOYSA-N,585.2798632079999,0.5132000000000028,,,O=C1C2=CC3C(=O)C=CCC3CC2Cc2ccccc21,205.76,-0.05525,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O,Broth microdilution,Escherichia coli K-12,
18
- 12321117,C=CCc1cc(OC)c2c(c1OC)OCO2,QQRSPHJOOXUALR-UHFFFAOYSA-N,222.089208928,2.1609999999999996,apiole,10659.0,c1ccc2c(c1)OCO2,36.92,0.01026,C=CCc1cc(OC)c2c(c1OC)OCO2,Broth microdilution,Escherichia coli K-12,
19
- 13720081,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,OHXPGWPVLFPUSM-UHFFFAOYSA-N,402.24062418799997,4.073300000000003,"3,7,12-trioxocholan-24-oic acid",2975.0,O=C1CCC2C(C1)CC(=O)C1C3CCCC3C(=O)CC21,88.50999999999999,-0.07,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,Broth microdilution,Escherichia coli K-12,
20
- 14211124,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,PPKXEPBICJTCRU-UHFFFAOYSA-N,299.16520675199996,3.0564000000000022,[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-dimethylazanium chloride,45371471.0,c1ccc(C2CCCCC2)cc1,32.7,-0.0255449999999999,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,Broth microdilution,Escherichia coli K-12,
21
- 16857926,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,FWLKKPKZQYVAFR-UHFFFAOYSA-N,534.2325786679999,1.6383000000000016,kb 2413; kg 2413; ly 188695; rapimine,441330.0,c1ccc2[nH]c(N3CCCNCC3)nc2c1,182.73,-0.1071999999999999,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,Broth microdilution,Escherichia coli K-12,
22
- 19666438,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,QGXBDMJGAMFCBF-UHFFFAOYSA-N,290.2245802,3.959100000000003,3-epiandrosterone,225.0,O=C1CCC2C1CCC1C3CCCCC3CCC21,37.3,-0.0165999999999999,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,Broth microdilution,Escherichia coli K-12,
23
- 22938689,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,UPUDVKWQBVIKBG-UHFFFAOYSA-N,431.18633611999996,5.842200000000006,"1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;hydron;chloride",118797690.0,c1ccc(Cc2nccc3ccccc23)cc1,49.81,0.238885,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,Broth microdilution,Escherichia coli K-12,
24
- 25715442,CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,UIUKQADPLSFRBN-UHFFFAOYSA-N,456.21480336399986,3.201100000000002,"1-(3-furyl)-5-hydroxy-4b,7,7,9b,11a-pentamethyldodecahydrooxireno[2,3-d]oxireno[2',3':7,8]naphtho[2,1-f]isochromene-3,8(3ah,4bh)-dione",628811.0,O=C1CC2CCC3C(CCC4C(c5ccoc5)OC(=O)C5OC543)C2C2OC12,101.8,-0.10545,CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,Broth microdilution,Escherichia coli K-12,
25
- 26454321,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,OFPXSFXSNFPTHF-UHFFFAOYSA-N,293.10519334,4.025800000000003,oxaprozin,4614.0,c1ccc(-c2ncoc2-c2ccccc2)cc1,63.33,-0.1588499999999999,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,Broth microdilution,Escherichia coli K-12,
26
- 27311553,COC(=O)CC1C(C)(C)C(=O)C2CC3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,SWTDXMBCOHIACK-UHFFFAOYSA-N,468.214803364,4.2199000000000035,"7,11-methano-2h-cycloocta[f][2]benzopyran-8-aceticacid,4-(3-furanyl)-4,4a,5,6,6a,7,8,9,10,11,12,12a-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-,methyl ester, (4r,4ar,7s,8s,11s)-",5194782.0,O=C1C=C2C(CCC3C4CCC(=O)C(CC23)C4=O)C(c2ccoc2)O1,99.88,-0.0747500000000001,COC(=O)CC1C(C)(C)C(=O)C2CC3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,Broth microdilution,Escherichia coli K-12,
27
- 29079421,Cc1cc(O)c(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)cn1,PWAUCHMQEXVFJR-UHFFFAOYSA-N,612.1209371080001,0.3267200000000013,cefpiramide acid; cefpiramide,2642.0,O=C(NC(C(=O)NC1C(=O)N2C=C(CSc3nnn[nH]3)CSC12)c1ccccc1)c1cccnc1,212.76,0.958428,Cc1cc(O)c(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)cn1,Broth microdilution,Escherichia coli K-12,
28
- 30143097,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CSC12)c1csc(N)n1.[Na+],AZZMGZXNTDTSME-UHFFFAOYSA-M,477.0388841320001,-4.953199999999996,"sodium (6r,7r)-3-[(acetyloxy)methyl]-7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",44134618.0,N=C(C(=O)NC1C(=O)N2C=CCSC12)c1cscn1,176.34000000000003,0.9571815,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CSC12)c1csc(N)n1.[Na+],Broth microdilution,Escherichia coli K-12,
29
- 30536183,CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,GDLBFKVLRPITMI-UHFFFAOYSA-N,229.991676144,1.6818,diazoxide,3019.0,O=S1(=O)NC=Nc2ccccc21,58.53,-0.03285,CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,Broth microdilution,Escherichia coli K-12,
30
- 32753893,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,AAASNKNLMQBKFV-UHFFFAOYSA-N,358.105252916,3.200000000000001,"quercetin 5,7,3',4'-tetramethyl ether",97142.0,O=c1cc(-c2ccccc2)oc2ccccc12,87.36000000000001,0.06842,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,Broth microdilution,Escherichia coli K-12,
31
- 34096931,CC(=O)Nc1cccc(O)c1,QLNWXBAGRTUKKI-UHFFFAOYSA-N,151.063328528,1.3505999999999998,3-hydroxyacetanilide,12124.0,c1ccccc1,49.33,-0.0818000000000001,CC(=O)Nc1cccc(O)c1,Broth microdilution,Escherichia coli K-12,
32
- 34481213,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I,XQFRJNBWHJMXHO-UHFFFAOYSA-N,353.97126945200006,-1.2181000000000002,"1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-iodo-1h-pyrimidine-2,4-dione",3687.0,O=c1ccn(C2CCCO2)c(=O)[nH]1,104.55,-0.0587999999999999,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I,Broth microdilution,Escherichia coli K-12,
33
- 35214314,Oc1ccc(O)cc1,QIGBRXMKCJKVMJ-UHFFFAOYSA-N,110.036779432,1.0977999999999999,hydroquinone,785.0,c1ccccc1,40.46,-0.1403499999999999,Oc1ccc(O)cc1,Broth microdilution,Escherichia coli K-12,
34
- 35790632,Cl.NC12CC3CC(CC(C3)C1)C2,WOLHOYHSEKDWQH-UHFFFAOYSA-N,187.112777256,2.3357,adamantan-1-amine;hydron;chloride,19031614.0,C1C2CC3CC1CC(C2)C3,26.02,-0.11775,Cl.NC12CC3CC(CC(C3)C1)C2,Broth microdilution,Escherichia coli K-12,
35
- 35886842,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132,BFUCTROUWLSVBH-UHFFFAOYSA-N,468.21480336399986,4.338300000000004,"methyl 2-[2-[4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1ah-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate",4425075.0,C=C1C(C2C=CC(=O)CC2)CCC2C(c3ccoc3)OC(=O)C3OC132,95.34,-0.06915,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132,Broth microdilution,Escherichia coli K-12,
36
- 35947982,Cc1cn[nH]c1.Cl,PUCXJHNDMYZOHG-UHFFFAOYSA-N,118.02977590399999,1.1399199999999998,4-methyl-1h-pyrazol-2-ium chloride,163355434.0,c1cn[nH]c1,28.68,-0.00834,Cc1cn[nH]c1.Cl,Broth microdilution,Escherichia coli K-12,
37
- 37378412,CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C.Cl,IWVTXAGTHUECPN-UHFFFAOYSA-N,501.133648916,1.717600000000001,"1-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride",6419451.0,O=C(Cc1ccccc1)NC1C(=O)N2CCSC12,137.26000000000002,0.948869,CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C.Cl,Broth microdilution,Escherichia coli K-12,
38
- 37644530,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,OGJPXUAPXNRGGI-UHFFFAOYSA-N,319.133219656,1.2683,cid 6919051,6919051.0,O=c1cc[nH]c2cc(N3CCNCC3)ccc12,74.57000000000001,0.9543985,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,Broth microdilution,Escherichia coli K-12,
39
- 38177867,CC1(C)C(=O)C=CC2(C)C1C=CC1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC312,ZXHLDNILIVGKPC-UHFFFAOYSA-N,422.2093240599999,4.795100000000004,"7-(3-furyl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadeca-13,18-diene-5,15-dione",4376929.0,O=C1C=CC2C(C=CC3C2CCC2C(c4ccoc4)OC(=O)C4OC432)C1,69.03999999999999,-0.159,CC1(C)C(=O)C=CC2(C)C1C=CC1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC312,Broth microdilution,Escherichia coli K-12,
40
- 39862400,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,PCHPORCSPXIHLZ-UHFFFAOYSA-N,291.138992004,3.776000000000004,"2-(diphenylmethoxy)-n,n-dimethylethanaminium chloride",43833360.0,c1ccc(Cc2ccccc2)cc1,12.47,-0.1230500000000001,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,Broth microdilution,Escherichia coli K-12,
41
- 40282268,O=c1c(O)cccc2cc(O)c(O)c(O)c12,WDGFFVCWBZVLCE-UHFFFAOYSA-N,220.037173356,1.0223999999999998,purpurogallin,135403797.0,O=c1ccccc2ccccc12,97.99,0.0968449999999999,O=c1c(O)cccc2cc(O)c(O)c(O)c12,Broth microdilution,Escherichia coli K-12,
42
- 41261402,Cl.Cl.Cl.NCCCCNCCCN,LCNBIHVSOPXFMR-UHFFFAOYSA-N,253.08793074399998,0.9291,"n'-(3-aminopropyl)butane-1,4-diamine;hydron;trichloride",74764047.0,,64.07,0.0681749999999999,Cl.Cl.Cl.NCCCCNCCCN,Broth microdilution,Escherichia coli K-12,
43
- 43407199,CCCCCC1C(=O)CCC1CC(=O)OC,KVWWIYGFBYDJQC-UHFFFAOYSA-N,226.156894564,2.725100000000001,hedione,102861.0,O=C1CCCC1,43.370000000000005,-0.1859999999999999,CCCCCC1C(=O)CCC1CC(=O)OC,Broth microdilution,Escherichia coli K-12,
44
- 43738261,S=c1[nH]cnc2nc[nH]c12,GLVAUDGFNGKCSF-UHFFFAOYSA-N,152.015667128,1.0154899999999998,6-mercaptopurine,667490.0,S=c1[nH]cnc2nc[nH]c12,57.36,0.17776,S=c1[nH]cnc2nc[nH]c12,Broth microdilution,Escherichia coli K-12,
45
- 44091864,CC1=NN(c2ccccc2)C(=O)C1,QELUYTUMUWHWMC-UHFFFAOYSA-N,174.07931294,1.7992,mci-186,4021.0,O=C1CC=NN1c1ccccc1,32.67,0.07121,CC1=NN(c2ccccc2)C(=O)C1,Broth microdilution,Escherichia coli K-12,
46
- 44748513,COc1cc(C=O)ccc1O,MWOOGOJBHIARFG-UHFFFAOYSA-N,152.047344116,1.2132999999999998,vanillin,1183.0,c1ccccc1,46.53,0.017795,COc1cc(C=O)ccc1O,Broth microdilution,Escherichia coli K-12,
47
- 44861161,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,HVRLZEKDTUEKQH-UHFFFAOYSA-N,373.14447130799994,4.011300000000004,2-[11-[3-(dimethylamino)propylidene]-6h-benzo[c][1]benzoxepin-2-yl]acetic acid;hydron;chloride,77279565.0,C=C1c2ccccc2COc2ccccc21,49.77,0.955827,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,Broth microdilution,Escherichia coli K-12,
48
- 45531154,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,IAFBOKYTDSDNHV-UHFFFAOYSA-N,284.104858992,3.410300000000002,"5,7-dimethoxyflavanone",378567.0,O=C1CC(c2ccccc2)Oc2ccccc21,44.760000000000005,0.1884,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,Broth microdilution,Escherichia coli K-12,
49
- 45659966,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,VGLGVJVUHYTIIU-UHFFFAOYSA-N,382.983496608,0.9365000000000001,althiazide,2122.0,O=S1(=O)NCNc2ccccc21,118.36,-0.0839499999999999,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,Broth microdilution,Escherichia coli K-12,
50
- 47057150,Nc1nc(=O)n(C2CSC(CO)O2)cc1F,XQSPYNMVSIKCOC-UHFFFAOYSA-N,247.0426904,-0.4550000000000003,racivir,9837769.0,O=c1ncccn1C1CSCO1,90.37,-0.0636499999999999,Nc1nc(=O)n(C2CSC(CO)O2)cc1F,Broth microdilution,Escherichia coli K-12,
51
- 49143709,CC(C)C(N)C(=O)O,KZSNJWFQEVHDMF-UHFFFAOYSA-N,117.078978592,0.05430000000000007,2-azaniumyl-3-methylbutanoate,5237032.0,,63.32000000000001,0.0517499999999999,CC(C)C(N)C(=O)O,Broth microdilution,Escherichia coli K-12,
52
- 50692549,CC(N)CCCC(C)(C)O.Cl,JZNBMCOSOXIZJB-UHFFFAOYSA-N,181.12334194,1.6966,6-amino-2-methylheptan-2-ol;hydron;chloride,74764362.0,,46.25,-0.0402499999999999,CC(N)CCCC(C)(C)O.Cl,Broth microdilution,Escherichia coli K-12,
53
- 53029295,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,SSOXZAQUVINQSA-UHFFFAOYSA-N,356.17360724799994,2.877,but-2-enedioate;dimethyl-(3-phenyl-3-pyridin-1-ium-2-yl-propyl)ammonium,443885.0,c1ccc(Cc2ccccn2)cc1,90.73,0.0339249999999999,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,Broth microdilution,Escherichia coli K-12,
54
- 54378811,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,FYVQSXRFGAIFQK-UHFFFAOYSA-N,420.1572884879999,5.159000000000005,isopomiferin,20055152.0,O=c1c(-c2ccccc2)coc2c3c(c4c(c12)OCCC4)OCC=C3,89.13000000000001,0.0185899999999999,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,Broth microdilution,Escherichia coli K-12,
55
- 58195732,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,NHDHVHZZCFYRSB-UHFFFAOYSA-N,321.136493468,4.720200000000004,pyriproxyfen,91753.0,c1ccc(Oc2ccc(OCCOc3ccccn3)cc2)cc1,40.58,0.0277699999999999,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,Broth microdilution,Escherichia coli K-12,
56
- 58930282,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,SEEPANYCNGTZFQ-UHFFFAOYSA-N,250.05244656,0.8596000000000001,sulfadiazine,5215.0,O=S(=O)(Nc1ncccn1)c1ccccc1,97.97,-0.0853999999999999,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,Broth microdilution,Escherichia coli K-12,
57
- 60376332,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,SBPBAQFWLVIOKP-UHFFFAOYSA-N,348.926283882,4.718100000000002,chlorpyrifos,2730.0,c1ccncc1,40.58,-0.0584,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,Broth microdilution,Escherichia coli K-12,
58
- 60807654,CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl,JHGSLSLUFMZUMK-UHFFFAOYSA-N,337.144471308,3.163900000000002,ractopamine hydrochloride,14010333.0,c1ccc(CCCNCCc2ccccc2)cc1,72.72,-0.0725,CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl,Broth microdilution,Escherichia coli K-12,
59
- 62184198,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,BLGXFZZNTVWLAY-UHFFFAOYSA-N,354.194342692,2.647100000000001,amberlite cg 400,2866.0,c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3,65.56,-0.0048999999999999,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,Broth microdilution,Escherichia coli K-12,
60
- 62621066,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,BFCDFTHTSVTWOG-UHFFFAOYSA-N,337.24393574000004,5.559100000000006,4-((1-methylethyl)thio)-alpha-(1-(octylamino)ethyl)benzenemethanol,5354.0,c1ccccc1,32.26,0.566095,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,Broth microdilution,Escherichia coli K-12,
61
- 63334115,CN1C(=O)OC(C)(C)C1=O,IRYJRGCIQBGHIV-UHFFFAOYSA-N,143.058243148,0.37359999999999993,trimethadione,5576.0,O=C1COC(=O)N1,46.61,0.0855099999999999,CN1C(=O)OC(C)(C)C1=O,Broth microdilution,Escherichia coli K-12,
62
- 63833183,CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccsc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],ZBBCUBMBMZNEME-UHFFFAOYSA-L,428.008866728,-8.11340000000001,"disodium;6-[[2-carboxylato-2-(3-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",101674990.0,O=C(Cc1ccsc1)NC1C(=O)N2CCSC12,129.67000000000002,-0.1487,CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccsc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],Broth microdilution,Escherichia coli K-12,
63
- 64292186,COc1c2ccccc2nc2occc12,WIONIXOBNMDJFJ-UHFFFAOYSA-N,199.063328528,2.989600000000001,dictamnine,68085.0,c1ccc2nc3occc3cc2c1,35.260000000000005,0.30267,COc1c2ccccc2nc2occc12,Broth microdilution,Escherichia coli K-12,
64
- 65925565,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CSC12)c1csc(N)n1.O.O.O.[Na+].[Na+],XMCDZRXQAGFWAK-UHFFFAOYSA-L,652.0416404640004,-11.631800000000005,,,N=C(C(=O)NC1C(=O)N2C=C(CSc3nc(=O)cn[nH]3)CSC12)c1cscn1,315.38000000000005,0.9506255,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CSC12)c1csc(N)n1.O.O.O.[Na+].[Na+],Broth microdilution,Escherichia coli K-12,
65
- 66514940,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],LYZGJWXNOGIVQA-UHFFFAOYSA-M,276.090843064,-1.4515999999999971,"4,6-(1h,5h)-pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-, monosodium salt",91980486.0,O=C1CC(=O)NC=N1,58.53,-0.0337,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],Broth microdilution,Escherichia coli K-12,
66
- 67036774,CC(=O)Nc1ccc(CC(=O)O)cc1,MROJXXOCABQVEF-UHFFFAOYSA-N,193.073893212,1.2721,actarit,2018.0,c1ccccc1,66.4,-0.1655999999999999,CC(=O)Nc1ccc(CC(=O)O)cc1,Broth microdilution,Escherichia coli K-12,
67
- 67677248,O=C(OOC(=O)c1ccccc1)c1ccccc1,OMPJBNCRMGITSC-UHFFFAOYSA-N,242.0579088,2.615400000000001,benzoyl peroxide,7187.0,O=C(OOC(=O)c1ccccc1)c1ccccc1,52.6,0.0617799999999999,O=C(OOC(=O)c1ccccc1)c1ccccc1,Broth microdilution,Escherichia coli K-12,
68
- 67701920,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,ULSUXBXHSYSGDT-UHFFFAOYSA-N,372.12090298,3.503000000000003,tangeretin,68077.0,O=c1cc(-c2ccccc2)oc2ccccc12,76.36000000000001,0.0673,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,Broth microdilution,Escherichia coli K-12,
69
- 68111343,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,YXOLAZRVSSWPPT-UHFFFAOYSA-N,302.04265266,1.987999999999999,morin,5281670.0,O=c1cc(-c2ccccc2)oc2ccccc12,131.36,-0.1205499999999999,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,Broth microdilution,Escherichia coli K-12,
70
- 68441763,Cc1nccc2c1[nH]c1ccccc12,PSFDQSOCUJVVGF-UHFFFAOYSA-N,182.08439832,3.0245200000000008,harman,5281404.0,c1ccc2c(c1)[nH]c1cnccc12,28.68,-0.0274099999999999,Cc1nccc2c1[nH]c1ccccc12,Broth microdilution,Escherichia coli K-12,
71
- 68641301,CN1C(=O)CC(c2ccccc2)C1=O,WLWFNJKHKGIJNW-UHFFFAOYSA-N,189.078978592,1.1588999999999998,phensuximide,6839.0,O=C1CC(c2ccccc2)C(=O)N1,37.38,-0.0472300000000001,CN1C(=O)CC(c2ccccc2)C1=O,Broth microdilution,Escherichia coli K-12,
72
- 68645750,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,BXZVVICBKDXVGW-UHFFFAOYSA-N,236.090940244,-0.21050000000000008,"9-(5-(hydroxymethyl)oxolan-2-yl)-1,9-dihydro-6h-purin-6-one",135422442.0,O=c1[nH]cnc2c1ncn2C1CCCO1,93.03,0.390885,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,Broth microdilution,Escherichia coli K-12,
73
- 69192384,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,HZEQBCVBILBTEP-UHFFFAOYSA-N,436.20319312399994,2.4726,"(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate;piperazine",21873159.0,C1CNCCN1.O=C1CCC2C1CCC1c3ccccc3CCC12,104.73000000000002,0.0348,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,Broth microdilution,Escherichia coli K-12,
74
- 70039863,NC(=O)Nc1ccc([As](=O)(O)O)cc1,WWXBHTZSYYGCSG-UHFFFAOYSA-N,259.977828268,-1.2617999999999998,carbarsone,8480.0,c1ccccc1,112.65,-0.0166999999999999,NC(=O)Nc1ccc([As](=O)(O)O)cc1,Broth microdilution,Escherichia coli K-12,
75
- 70469358,C=CCCCCCCCCCCCc1ccco1,KNKVJBRMGKXDGO-UHFFFAOYSA-N,248.21401551600002,5.909100000000006,avocadenofuran,6857792.0,c1ccoc1,13.14,0.0140599999999999,C=CCCCCCCCCCCCc1ccco1,Broth microdilution,Escherichia coli K-12,
76
- 70725982,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,VYMDGNCVAMGZFE-UHFFFAOYSA-N,308.15247787999994,3.7878000000000025,phenylbutazone,4781.0,O=C1CC(=O)N(c2ccccc2)N1c1ccccc1,40.620000000000005,-0.0496,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,Broth microdilution,Escherichia coli K-12,
77
- 71264959,CCCCCCCCC=CCCCCCCCC(=O)[O-].[NH3+]CCO,KGWDUNBJIMUFAP-UHFFFAOYSA-N,343.308644172,2.9944,2-hydroxyethylazanium;octadec-9-enoate,75633826.0,,88.0,0.334665,CCCCCCCCC=CCCCCCCCC(=O)[O-].[NH3+]CCO,Broth microdilution,Escherichia coli K-12,
78
- 73234208,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,VWVSBHGCDBMOOT-UHFFFAOYSA-N,376.20498762799997,2.7808000000000015,topisolon,3000.0,O=C1C=CC2C(=C1)CCC1C3CCCC3CCC21,74.6,-0.0843499999999999,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,Broth microdilution,Escherichia coli K-12,
79
- 74564994,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,KEQFDTJEEQKVLM-UHFFFAOYSA-N,559.005688596,1.4027999999999996,"7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride",73861436.0,N=C(C(=O)NC1C(=O)N2C=C(CSC(=O)c3ccco3)CSC12)c1cscn1,177.42000000000002,0.95529,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,Broth microdilution,Escherichia coli K-12,
80
- 75376110,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,XLFWDASMENKTKL-UHFFFAOYSA-N,242.101504928,0.09200000000000008,pharmakon1600-01500673,5360788.0,c1c[n+](N2CCOCC2)no1,82.78000000000002,0.062415,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,Broth microdilution,Escherichia coli K-12,
81
- 76817461,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,PXMNMQRDXWABCY-UHFFFAOYSA-N,307.14514000400004,3.3415000000000017,tebuconazole,86102.0,c1ccc(CCCCn2cncn2)cc1,50.94,-0.0482499999999999,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,Broth microdilution,Escherichia coli K-12,
82
- 78270384,NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,XUFQPHANEAPEMJ-UHFFFAOYSA-N,337.04493571999996,-0.7679999999999998,famotidine,5702160.0,c1cscn1,175.82999999999998,-0.0036499999999999,NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,Broth microdilution,Escherichia coli K-12,
83
- 79289859,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,GECHUMIMRBOMGK-UHFFFAOYSA-N,249.057197592,1.4646000000000001,sulfapyridine,5336.0,O=S(=O)(Nc1ccccn1)c1ccccc1,85.08,0.035375,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,Broth microdilution,Escherichia coli K-12,
84
- 79496080,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],NMMVKSMGBDRONO-UHFFFAOYSA-N,266.031840524,-3.1838799999999994,"potassium 5-(9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-3-yl)tetrazol-2-ide",14853159.0,O=c1c(-c2nnn[n-]2)cnc2ccccn12,87.14,-0.04885,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],Broth microdilution,Escherichia coli K-12,
85
- 79773026,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1,YWTYJOPNNQFBPC-UHFFFAOYSA-N,255.05230224,0.6879,(z)-n-(1-((6-chloropyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramide,135541675.0,C1=NCCN1Cc1cccnc1,83.66,-0.2166999999999999,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1,Broth microdilution,Escherichia coli K-12,
86
- 80945726,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,GNUCGROXDZMCJI-UHFFFAOYSA-N,370.132716748,3.0397200000000018,4-(2-((4-methyl-6-phenyl-3-pyridazinyl)amino)ethyl)morpholine dihydrochloride,25058183.0,c1ccc(-c2ccc(NCCN3CCOCC3)nn2)cc1,50.28,0.05789,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,Broth microdilution,Escherichia coli K-12,
87
- 82461671,COc1cccc(OC)c1O,KLIDCXVFHGNTTM-UHFFFAOYSA-N,154.06299418,1.4093999999999998,"2,6-dimethoxyphenol",7041.0,c1ccccc1,38.69,-0.076,COc1cccc(OC)c1O,Broth microdilution,Escherichia coli K-12,
88
- 83511000,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,QNVKOSLOVOTXKF-UHFFFAOYSA-N,411.955265108,3.6087000000000016,"(2-amino-3,5-dibromophenyl)methyl-(4-hydroxycyclohexyl)azanium chloride",171114762.0,c1ccc(CNC2CCCCC2)cc1,58.28,-0.0907,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,Broth microdilution,Escherichia coli K-12,
89
- 83741309,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,BJORNXNYWNIWEY-UHFFFAOYSA-N,236.10802622399999,2.5300000000000002,"2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1h-imidazol-1-ium chloride",171114754.0,c1ccc2c(c1)CCCC2C1=NCCN1,24.39,-0.0323500000000001,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,Broth microdilution,Escherichia coli K-12,
90
- 85478953,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,DDBREPKUVSBGFI-UHFFFAOYSA-N,232.084792244,0.7004,phenobarbital,4763.0,O=C1NC(=O)C(c2ccccc2)C(=O)N1,75.27000000000001,-0.0267999999999999,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,Broth microdilution,Escherichia coli K-12,
91
- 88733285,CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,QOTBQNVNUBKJMS-UHFFFAOYSA-N,228.078644244,2.9772000000000007,xanthyletin,65188.0,O=c1ccc2cc3c(cc2o1)OCC=C3,39.44,-0.0213749999999999,CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,Broth microdilution,Escherichia coli K-12,
92
- 89713857,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,WTGQALLALWYDJH-UHFFFAOYSA-N,383.07322028399994,1.496,"9-methyl-3-oxa-9-azatricyclo[3.3.1.0<2,4>]non-7-yl 3-hydroxy-2-phenylpropanoat e, bromide",24207105.0,O=C(Cc1ccccc1)OC1CC2NC(C1)C1OC21,62.3,0.0585499999999999,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,Broth microdilution,Escherichia coli K-12,
93
- 90946848,CCCCCCCCC(=O)O,FBUKVWPVBMHYJY-UHFFFAOYSA-N,158.130679816,2.821600000000001,nonanoic acid,8158.0,,37.3,0.1194049999999999,CCCCCCCCC(=O)O,Broth microdilution,Escherichia coli K-12,
94
- 91486366,O=C([O-])CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+],CKMOQBVBEGCJGW-UHFFFAOYSA-L,401.059973696,-5.951099999999998,balsalazide (disodium),136000818.0,c1ccc(N=Nc2ccccc2)cc1,154.31,0.0007899999999999,O=C([O-])CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+],Broth microdilution,Escherichia coli K-12,
95
- 92898166,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,AVOLMBLBETYQHX-UHFFFAOYSA-N,302.011264224,3.6057000000000023,ethacrynic acid,3278.0,c1ccccc1,63.60000000000001,-0.0779499999999999,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,Broth microdilution,Escherichia coli K-12,
96
- 93182779,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,XZZXIYZZBJDEEP-UHFFFAOYSA-N,316.17062648,4.296800000000005,"3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-aminium chloride",15893898.0,c1ccc2c(c1)CCc1ccccc1N2,6.48,0.092705,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,Broth microdilution,Escherichia coli K-12,
97
- 93364797,COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,WEAJZXNPAWBCOA-UHFFFAOYSA-N,483.17856537200004,2.4318,4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-n-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide,18762634.0,O=C(NCc1ncccn1)c1cnc(N2CCCC2)nc1NCc1ccccc1,125.39,-0.0360499999999999,COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,Broth microdilution,Escherichia coli K-12,
98
- 98521080,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,FUQAYSQLAOJBBC-UHFFFAOYSA-N,222.198365452,3.7539000000000025,beta-caryophyllene alcohol,61125.0,C1CC2CCC3CCC3C(C1)C2,20.23,-0.0988500000000001,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,Broth microdilution,Escherichia coli K-12,
99
- 99275533,CCCCCCCCCCCCC(C(=O)O)C(C)C(=O)O,CADNMISJDLVPCK-UHFFFAOYSA-N,300.230059504,4.718900000000003,2-dodecyl-3-methylbutanedioic acid,99891.0,,74.6,-0.0067349999999999,CCCCCCCCCCCCC(C(=O)O)C(C)C(=O)O,Broth microdilution,Escherichia coli K-12,
100
- 99349341,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,QWGDMFLQWFTERH-UHFFFAOYSA-N,313.09818981199993,3.4292000000000025,amoxapine,2170.0,c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2,36.86,0.207335,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,Broth microdilution,Escherichia coli K-12,
101
- 99605331,NCCCNCCCCNCCCN,PFNFFQXMRSDOHW-UHFFFAOYSA-N,202.21574683199998,-0.35659999999999775,spermine,1103.0,,76.1,-0.1079499999999999,NCCCNCCCCNCCCN,Broth microdilution,Escherichia coli K-12,
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
cache/df-load/1ed5ec5dadab00c8.csv DELETED
@@ -1,4 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 54600065,"5-((5-nitro-1,3-thiazol-2-yl)sulfanyl)-1,3,4-thiadiazol-2-amine",11837140,Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1,NQQBNZBOOHHVQP-UHFFFAOYSA-N,260.944887336,1.6361999999999999,Escherichia coli,Broth microdilution,
3
- 91102096,rs-102895,10000456,O=C1Nc2ccccc2C2(CCN(CCc3ccc(C(F)(F)F)cc3)CC2)O1,HIDWEYPGMLIQSN-UHFFFAOYSA-N,390.155512572,4.801300000000004,Escherichia coli,Broth microdilution,
4
- 41813270,"4-chloro-2-{[(2,4-dichlorophenoxy)acetyl]amino}benzoic acid",2942818,O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1C(=O)O,KKKPLTVKYNLFCJ-UHFFFAOYSA-N,372.96754083999997,4.362500000000002,Escherichia coli,Broth microdilution,
 
 
 
 
 
cache/df-load/3ea54b085c2190db.csv DELETED
@@ -1,3 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 88220429,tetracycline,54675776,CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,NWXMGUDVXFXRIG-WESIUVDSSA-N,444.1532657279999,-0.37099999999999905,Escherichia coli,Broth microdilution,
3
- 87836778,anhydrotetracycline,54675758,Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]1C2,KTTKGQINVKPHLY-DOCRCCHOSA-N,426.1427010439999,0.4558200000000004,Escherichia coli,Broth microdilution,
 
 
 
 
cache/df-load/4e89a7aef77ab675.csv DELETED
@@ -1,7 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 62395520,chir-090,11546620,C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO,FQYBTYFKOHPWQT-VGSWGCGISA-N,437.195070964,0.9032000000000002,Escherichia coli,Broth microdilution,
3
- 53665249,sch-79797,4259181,CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1,AVXQPEKZIGPIJW-UHFFFAOYSA-N,371.2109958000001,4.912700000000004,Escherichia coli,Broth microdilution,
4
- 15733298,"n2,n4-dibenzylquinazoline-2,4-diamine",676352,c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1,QAIMUUJJAJBPCL-UHFFFAOYSA-N,340.16879664,4.854000000000003,Escherichia coli,Broth microdilution,
5
- 10710226,tenovin-6,24772043,CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1,BVJSXSQRIUSRCO-UHFFFAOYSA-N,454.240247328,4.781300000000003,Escherichia coli,Broth microdilution,
6
- 28517032,pyrimethamine,4993,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,WKSAUQYGYAYLPV-UHFFFAOYSA-N,248.08287409599998,2.5238000000000005,Escherichia coli,Broth microdilution,
7
- 76242396,aminopterin,169371,Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,TVZGACDUOSZQKY-LBPRGKRZSA-N,440.15566574000013,0.24410000000000132,Escherichia coli,Broth microdilution,
 
 
 
 
 
 
 
 
cache/df-load/5af2e314acdb826c.csv DELETED
@@ -1,5 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 39882995,"(2s,5r,6r)-6-[[(2r)-2-azaniumyl-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",7048611,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,AVKUERGKIZMTKX-NJBDSQKTSA-N,349.109627088,0.3180999999999994,Escherichia coli,Broth microdilution,
3
- 70621966,linezolid,441401,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,TYZROVQLWOKYKF-ZDUSSCGKSA-N,337.14378433999997,1.1235999999999995,Escherichia coli,Broth microdilution,
4
- 32459081,"(2s,5r,6r)-6-[[(2r)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",40467057,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,LSQZJLSUYDQPKJ-NJBDSQKTSA-N,365.104541708,0.023699999999999555,Escherichia coli,Broth microdilution,
5
- 63603982,"[(2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;hydron",90333665,NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,NDCUAPJVLWFHHB-UHNVWZDZSA-N,265.03685607200003,-1.5252999999999979,Escherichia coli,Broth microdilution,
 
 
 
 
 
 
cache/df-load/5b64386603485717.csv DELETED
@@ -1,101 +0,0 @@
1
- id,smiles,inchikey,mwt,clogp,pubchem_name,pubchem_id,scaffold,tpsa,normalized_inhibition,SMILES,mic_method,full_strain_name,pmic
2
- 10147435,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,NJDUWAXIURWWLN-UHFFFAOYSA-N,256.029107208,3.5028000000000024,clorindione,70846.0,O=C1c2ccccc2C(=O)C1c1ccccc1,34.14,0.085755,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,Broth microdilution,Acinetobacter baumannii,
3
- 10255340,O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,OVSQVDMCBVZWGM-DTGCRPNFSA-N,464.09547607999986,-0.5388999999999995,hyperoside,5281643.0,O=c1c(O[C@H]2CCCCO2)c(-c2ccccc2)oc2ccccc12,210.51,-0.0916055319999999,O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,Broth microdilution,Acinetobacter baumannii,
4
- 10371711,O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1,IRXKKCPKACPSJV-GVDBMIGSSA-N,383.1593541520001,-0.007599999999999385,"n-[(2s,3r,6r)-2-(hydroxymethyl)-6-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]-3,6-dihydro-2h-pyran-3-yl]pyridine-3-carboxamide",53382641.0,O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)CO1)NCc1ccncn1,126.33,0.107498893,O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1,Broth microdilution,Acinetobacter baumannii,
5
- 10388881,FC(F)(F)c1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1,QUGNBAJYAOSMCW-UHFFFAOYSA-N,316.99858927599996,5.762800000000002,"n-(3,5-dichlorophenyl)-1-[4-(trifluoromethyl)phenyl]methanimine",2741043.0,C(=N/c1ccccc1)\c1ccccc1,12.36,-0.044596187,FC(F)(F)c1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1,Broth microdilution,Acinetobacter baumannii,
6
- 10483478,COCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O,AUDUVEZVXXCJER-YOSAUDMPSA-N,506.2450579359999,2.491800000000002,"n-[[(4r,5s)-2-[(2r)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-n-methylcyclohexanecarboxamide",54629569.0,O=C(NC[C@@H]1CCNS(=O)(=O)c2ccccc2O1)C1CCCCC1,96.38,-0.088849438,COCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O,Broth microdilution,Acinetobacter baumannii,
7
- 10512315,c1cc2c(cc1-c1nn[nH]n1)OCO2,RGZDBHMVHIGDEC-UHFFFAOYSA-N,190.049075432,0.5953999999999996,"5-(1,3-benzodioxol-5-yl)-1h-tetrazole",723232.0,c1cc2c(cc1-c1nn[nH]n1)OCO2,72.92,0.040435683,c1cc2c(cc1-c1nn[nH]n1)OCO2,Broth microdilution,Acinetobacter baumannii,
8
- 10561155,CN(C)CCCCCCNC(=O)[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1c1cccc(OCCO)c1,CSHWMBLPUZIUKX-ZJZGAYNASA-N,500.2998703799999,1.5587000000000018,"(3s,5s,6r,9s)-n-[6-(dimethylamino)hexyl]-6-[3-(2-hydroxyethoxy)phenyl]-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecane-5-carboxamide",23748532.0,O=C1[C@@H]2CC[C@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12,102.42,0.046705316,CN(C)CCCCCCNC(=O)[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1c1cccc(OCCO)c1,Broth microdilution,Acinetobacter baumannii,
9
- 10802016,CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3Cc3ccc4c(c3)OCO4)O2)CC1,ATLWFNODZSPTJE-GJPOJAMWSA-N,461.25258583999994,0.6887000000000019,"2-[(3s,6ar,8s,10ar)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methylpiperazin-1-yl)ethanone",54659572.0,O=C(C[C@@H]1CC[C@@H]2[C@H](COCCCN2Cc2ccc3c(c2)OCO3)O1)N1CCNCC1,83.94000000000001,0.044173224,CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3Cc3ccc4c(c3)OCO4)O2)CC1,Broth microdilution,Acinetobacter baumannii,
10
- 10844740,Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+],TTWYZDPBDWHJOR-ANEDODFUSA-L,550.9596339579999,-8.885000000000003,"disodium;[[[(2r,3s,4r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate",16211020.0,c1ncc2ncn(C3CCCO3)c2n1,284.79,0.0022849999999999,Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+],Broth microdilution,Acinetobacter baumannii,
11
- 10847297,COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCNC(=O)CN3CCOCC3)O[C@H]2CO)cc1,UKAJTZXDZSPPTQ-ZCNNSNEGSA-N,450.24783480799994,0.5637000000000016,"n-[2-[(2s,5r,6r)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide",54641813.0,O=C(CN1CCOCC1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)CO1,121.39,-0.005222456,COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCNC(=O)CN3CCOCC3)O[C@H]2CO)cc1,Broth microdilution,Acinetobacter baumannii,
12
- 10917687,C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccc(F)cc1,NSMSKGXQUOLWGD-DYLHXGEVSA-N,500.214506756,3.4878000000000027,"(2s)-2-[(4s,5r)-8-(2-cyclopropylethynyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol",54624750.0,O=S1(=O)NCC[C@H](CNCc2ccccc2)Oc2cc(C#CC3CC3)ccc21,70.08,-0.0809524509999999,C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccc(F)cc1,Broth microdilution,Acinetobacter baumannii,
13
- 10944752,C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)Oc2cc(Br)ccc2S1(=O)=O,KQLIECALNJASHC-RZQQEMMASA-N,516.1293552559999,3.256400000000001,"n-[[(4s,5s)-8-bromo-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-n-methylcyclohexanecarboxamide",54628150.0,O=C(NC[C@@H]1CCNS(=O)(=O)c2ccccc2O1)C1CCCCC1,87.15,0.207856852,C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)Oc2cc(Br)ccc2S1(=O)=O,Broth microdilution,Acinetobacter baumannii,
14
- 10965375,CCOC(=O)[C@H]1CC(CC2OCCO2)=NO1,RVLPYMFXZAEIJO-MRVPVSSYSA-N,229.09502258,0.4573999999999998,"ethyl (5r)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate",712945.0,C1CC(CC2OCCO2)=NO1,66.35000000000001,-0.020809494,CCOC(=O)[C@H]1CC(CC2OCCO2)=NO1,Broth microdilution,Acinetobacter baumannii,
15
- 11006341,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,AXKPFOAXAHJUAG-UHFFFAOYSA-N,375.23220541999996,2.5944000000000003,pipamperone,4830.0,O=C(CCCN1CCC(N2CCCCC2)CC1)c1ccccc1,66.64000000000001,0.0257249999999999,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,Broth microdilution,Acinetobacter baumannii,
16
- 11128685,O=C(O)CCCCCCC(=O)O,TYFQFVWCELRYAO-UHFFFAOYSA-N,174.089208928,1.4962000000000002,cid 22494956,22494956.0,,74.6,0.0002699999999999,O=C(O)CCCCCCC(=O)O,Broth microdilution,Acinetobacter baumannii,
17
- 11337941,O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1,XCSHMSNLVXPSCE-WCIQWLHISA-N,418.21038667999994,0.6849999999999998,"2-[(3r,6ar,8s,10ar)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-morpholin-4-ylethanone",54658432.0,O=C(C[C@@H]1CC[C@@H]2[C@H](COCCCN2C(=O)c2ccccc2)O1)N1CCOCC1,88.54,-0.0711868529999999,O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1,Broth microdilution,Acinetobacter baumannii,
18
- 11418145,CC(=O)Nc1cccc(S(N)(=O)=O)c1,ZMXZWFNWSWLMFN-UHFFFAOYSA-N,214.04121318,0.2923999999999999,n-(3-sulfamoylphenyl)acetamide,5191950.0,c1ccccc1,89.25999999999999,0.088356293,CC(=O)Nc1cccc(S(N)(=O)=O)c1,Broth microdilution,Acinetobacter baumannii,
19
- 14873350,CC1(C)C(=O)[C@@H]2O[C@@H]2[C@@]2(C)C1C[C@@H](O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC321,UIUKQADPLSFRBN-NIJWRPTQSA-N,456.21480336399986,3.201100000000002,"1,2alpha-epoxydeacetoxydihydrogedunin",6708599.0,O=C1O[C@@H](c2ccoc2)C2CCC3C4C(CCC3C23OC13)CC(=O)[C@@H]1O[C@H]41,101.8,-0.1698999999999999,CC1(C)C(=O)[C@@H]2O[C@@H]2[C@@]2(C)C1C[C@@H](O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC321,Broth microdilution,Acinetobacter baumannii,
20
- 15127530,O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)O1)NCCN1CCCC1,WAIPEFGNGGJMET-YUVXSKOASA-N,515.185684488,1.2401000000000006,"2-[(3s,6as,8r,10as)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyrrolidin-1-ylethyl)acetamide",54659357.0,O=C(C[C@H]1CC[C@H]2[C@@H](COCCCN2S(=O)(=O)c2ccccc2)O1)NCCN1CCCC1,108.41,-0.079142529,O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)O1)NCCN1CCCC1,Broth microdilution,Acinetobacter baumannii,
21
- 16024511,CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1OC(=O)Nc1ccccc1-c1ccccc1,RVJRMPQLLBUGDF-FYYRRIAOSA-N,795.279194512,9.3282,"[(2r,3r,4s,5s,6s)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] n-(4-phenoxyphenyl)carbamate",23806099.0,O=C(Nc1ccccc1-c1ccccc1)O[C@H]1[C@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)COC[C@H]1OC(=O)Nc1ccccc1-c1ccccc1,162.91,-0.1092633389999999,CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1OC(=O)Nc1ccccc1-c1ccccc1,Broth microdilution,Acinetobacter baumannii,
22
- 18871538,CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cnccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O,ALBVOUUIQWHTKA-YOSAUDMPSA-N,514.2249911880001,2.4150000000000005,"n-[[(4r,5s)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyrazinecarboxamide",54618278.0,O=C(NC[C@@H]1CCNS(=O)(=O)c2ccccc2O1)c1cnccn1,112.93,0.003584482,CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cnccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O,Broth microdilution,Acinetobacter baumannii,
23
- 19291744,CCOC(=O)c1cn2cn[nH]c2nc1=O,LNUWTNVMRDAASE-UHFFFAOYSA-N,208.059640116,-0.4056999999999999,"ethyl 7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate",135713758.0,O=c1ccn2cn[nH]c2n1,89.35,0.053455239,CCOC(=O)c1cn2cn[nH]c2nc1=O,Broth microdilution,Acinetobacter baumannii,
24
- 21086293,C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@]12C(=O)N(Cc1ccccc1)c1ccc(N3C(=O)c4ccccc4Oc4ccccc43)cc12,DPAVEUGBIKCYPH-BDWVRDEWSA-N,622.22992697,7.4750000000000085,"5-[(3r,3'r,4's,5'r)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzo[b][1,4]benzoxazepin-6-one",23749474.0,O=C1c2ccccc2Oc2ccccc2N1c1ccc2c(c1)[C@]1(CCCO1)C(=O)N2Cc1ccccc1,79.31000000000002,0.134102041,C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@]12C(=O)N(Cc1ccccc1)c1ccc(N3C(=O)c4ccccc4Oc4ccccc43)cc12,Broth microdilution,Acinetobacter baumannii,
25
- 24560700,CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O,BAPRUDZDYCKSOQ-WDSKDSINSA-N,173.068807832,-0.9473,"(2s,4s)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid",735936.0,C1CCNC1,77.84,-0.1119126779999999,CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O,Broth microdilution,Acinetobacter baumannii,
26
- 25897151,COc1ccc(-n2c(C)cc(CN)c2C)cc1,LTZKWMJXWMLEJP-UHFFFAOYSA-N,230.141913196,2.561440000000001,"([1-(4-methoxyphenyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl)amine",20983279.0,c1ccc(-n2cccc2)cc1,40.18,0.1215871509999999,COc1ccc(-n2c(C)cc(CN)c2C)cc1,Broth microdilution,Acinetobacter baumannii,
27
- 27063732,C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@@H]1CCCN1C(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1,XMADNOJCCWDQTP-XQKNLLDYSA-N,578.3156006959999,5.088300000000006,,,O=C(CCC(=O)N1CCC[C@H]1COC(=O)CCc1ccccc1)NCc1ccccc1,87.15,0.0149803069999999,C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@@H]1CCCN1C(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1,Broth microdilution,Acinetobacter baumannii,
28
- 27558503,CC1CCCC(C)N1,SDGKUVSVPIIUCF-UHFFFAOYSA-N,113.12044947999999,1.5369,nanofin,68843.0,C1CCNCC1,12.03,-0.0377499999999999,CC1CCCC(C)N1,Broth microdilution,Acinetobacter baumannii,
29
- 28432156,CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1,POIMGXBASHJMJR-LVQVYYBASA-N,410.21653468,0.9588400000000002,"(3r,6as,8r,10as)-n-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocine-1-carboxamide",54660202.0,O=C(Nc1cnoc1)N1CCCOC[C@H]2OCCC[C@@H]21,126.16,-0.087604006,CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1,Broth microdilution,Acinetobacter baumannii,
30
- 30389512,COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(O)=CC(=O)CC1C,KUTVEHNZHKAAAO-UHFFFAOYSA-N,338.05571588,2.7219000000000007,"(1's,6's)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methylspiro(benzofuran-2(3h),1'-(2)cyclohexene)-3,4'-dione",5126442.0,O=C1C=CC2(CC1)Oc1ccccc1C2=O,82.06,0.05586,COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(O)=CC(=O)CC1C,Broth microdilution,Acinetobacter baumannii,
31
- 30776478,CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NCCCCC2NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1,VRKHYMXTJQCIND-UHFFFAOYSA-N,1421.7489412159996,-1.6776000000000149,"4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[1-[4-[20-(2-amino-2-oxoethyl)-5-(3-aminopropyl)-11-benzyl-8-butan-2-yl-17-(carboxymethyl)-14-(1h-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylamino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid",2283.0,O=C(CNC(=O)CNC(=O)CNC(=O)C1CSC=N1)NCCCCC1NC(=O)CNC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC1=O,530.8699999999999,0.01378,CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NCCCCC2NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1,Broth microdilution,Acinetobacter baumannii,
32
- 32661360,Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO,QKJIXQBKLPFZFO-OWCLPIDISA-N,407.21686902799996,0.2615400000000015,"1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2s,3s,6s)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,6-dihydro-2h-pyran-3-yl]urea",54643779.0,O=C(Nc1cnoc1)N[C@H]1C=C[C@H](CC(=O)N2CCNCC2)OC1,120.17,-0.0517084350000001,Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO,Broth microdilution,Acinetobacter baumannii,
33
- 32701584,C=CCOC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCOC(=O)[C@@H]3C[C@@H]4C(=O)N5CCC[C@H]5C(=O)N4[C@@H]3c3cccc(OCCO)c3)cc2)[C@]12C(=O)Nc1ccc(I)cc12,AGQTWGGXFGGEER-ZCYISJRMSA-N,1112.270471136,6.547500000000008,"prop-2-enyl (3s,3's,4'r,6's,8'r,8'ar)-6'-[4-[2-[(3r,5r,6s,9s)-6-[3-(2-hydroxyethoxy)phenyl]-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecane-5-carbonyl]oxyethoxy]phenyl]-5-iodo-1',2-dioxo-3',4'-diphenylspiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxylate",23728300.0,O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H]1C[C@@]1(C(=O)Nc3ccccc31)[C@@H]2c1ccc(OCCOC(=O)[C@@H]2C[C@@H]3C(=O)N4CCC[C@H]4C(=O)N3[C@@H]2c2ccccc2)cc1,190.55,0.0452878199999999,C=CCOC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCOC(=O)[C@@H]3C[C@@H]4C(=O)N5CCC[C@H]5C(=O)N4[C@@H]3c3cccc(OCCO)c3)cc2)[C@]12C(=O)Nc1ccc(I)cc12,Broth microdilution,Acinetobacter baumannii,
34
- 32859566,CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12,YZODJQFXMFEJRM-UHFFFAOYSA-N,388.21507813600005,6.1908000000000065,acrisorcin,24144.0,c1ccc2nc3ccccc3cc2c1.c1ccccc1,79.37,0.16471,CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12,Broth microdilution,Acinetobacter baumannii,
35
- 34519551,O=C(O)c1ccc(O)c(O)c1,YQUVCSBJEUQKSH-UHFFFAOYSA-N,154.026608672,0.7959999999999998,protocatechuic acid,72.0,c1ccccc1,77.76,-0.1922074709999999,O=C(O)c1ccc(O)c(O)c1,Broth microdilution,Acinetobacter baumannii,
36
- 34686585,COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O,ORUZXJQMFCLFHG-GVARAGBVSA-N,348.1896512359999,-0.934499999999999,,,,148.68,-0.119225101,COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O,Broth microdilution,Acinetobacter baumannii,
37
- 35975370,O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1,FKMUIFHDRNDEEA-DFICYWPVSA-N,547.2294057839999,5.182800000000004,"2-[(1r,3r,4ar,9as)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-cyclohexylacetamide",54646939.0,O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2CO1)NC1CCCCC1,108.92000000000002,-0.1559876419999999,O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1,Broth microdilution,Acinetobacter baumannii,
38
- 36159371,NC(=O)C[C@H](N)C(=O)O,DCXYFEDJOCDNAF-REOHCLBHSA-N,132.053492116,-1.7263000000000002,(2s)-4-amino-2-ammonio-4-oxobutanoate,6992089.0,,106.41,0.044542984,NC(=O)C[C@H](N)C(=O)O,Broth microdilution,Acinetobacter baumannii,
39
- 36533529,C[C@@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O,UGXKLSUPAKEXSI-GGXPGOJBSA-N,410.1875430599999,0.7490999999999997,"(2r)-4-[(4s,5r)-5-[(dimethylamino)methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-8-yl]but-3-yn-2-ol",54629601.0,O=S1(=O)NCCCOc2ccccc21,90.31,-0.0031384169999999,C[C@@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O,Broth microdilution,Acinetobacter baumannii,
40
- 37668445,COC(=O)C[C@@H]1C(C)(C)[C@H](OC(C)=O)[C@@H]2[C@@H](OC(C)=O)[C@]34O[C@@]2(O)[C@]1(C)[C@H]3CC[C@]1(C)C4=CC(=O)O[C@H]1c1ccoc1,AOUYWWJPLUTFAB-ZSQKBIMKSA-N,586.2414120359999,3.3964000000000008,,,O=C1C=C2C(CC[C@@H]3C4CCC[C@@H]5C[C@@]23OC45)[C@H](c2ccoc2)O1,147.8,-0.0158916689999999,COC(=O)C[C@@H]1C(C)(C)[C@H](OC(C)=O)[C@@H]2[C@@H](OC(C)=O)[C@]34O[C@@]2(O)[C@]1(C)[C@H]3CC[C@]1(C)C4=CC(=O)O[C@H]1c1ccoc1,Broth microdilution,Acinetobacter baumannii,
41
- 38227073,NNC(=O)CCc1ccccc1,LSSUJBFVEXWEEC-UHFFFAOYSA-N,164.094963004,0.6090999999999993,3-phenylpropanehydrazide,249348.0,c1ccccc1,55.12,0.0710629059999999,NNC(=O)CCc1ccccc1,Broth microdilution,Acinetobacter baumannii,
42
- 39355981,O=C1c2ccccc2[C@@]2(Cc3ccccc3N(C3CC3)C2=O)[C@H](c2ccc(CO)cc2)N1Cc1ccccc1,YHCIIMXUHMAIFD-VBTAUBHQSA-N,514.22564282,5.565700000000005,,,O=C1c2ccccc2[C@@]2(Cc3ccccc3N(C3CC3)C2=O)[C@H](c2ccccc2)N1Cc1ccccc1,60.85,0.084037176,O=C1c2ccccc2[C@@]2(Cc3ccccc3N(C3CC3)C2=O)[C@H](c2ccc(CO)cc2)N1Cc1ccccc1,Broth microdilution,Acinetobacter baumannii,
43
- 40191677,COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O,SWTDXMBCOHIACK-HJFYQMTDSA-N,468.214803364,4.2199000000000035,cid 6708507,6708507.0,O=C1C=C2C3C[C@H]4C(=O)CCC(C4=O)C3CCC2[C@H](c2ccoc2)O1,99.88,0.00829,COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O,Broth microdilution,Acinetobacter baumannii,
44
- 41045121,C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)CN1CCOCC1,BANHLTBDTXCVOB-WCYRKSIYSA-N,557.255956968,2.416200000000001,"n-[[(4s,5r)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethenyl)-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-morpholin-4-ylacetamide",139032354.0,O=C(CN1CCOCC1)NC[C@H]1CCNS(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O1,99.62,0.1078897159999999,C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)CN1CCOCC1,Broth microdilution,Acinetobacter baumannii,
45
- 41435039,O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO,BLQFBUSGGJWCTG-NUJGCVRESA-N,393.237604472,-0.09749999999999742,"n-[(2r,3r,6r)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide",54645024.0,O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)OC1,101.74,-0.0597032079999999,O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO,Broth microdilution,Acinetobacter baumannii,
46
- 41785329,O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1,RLKWOXOHJMZSAQ-GBESFXJTSA-N,420.2372701239999,-0.5126999999999968,"n-[2-[(2s,5s,6s)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide",54645328.0,O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)CO1,113.02,-0.2218588409999999,O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1,Broth microdilution,Acinetobacter baumannii,
47
- 43375785,CC1=CC(=O)c2c(O)cccc2C1=O,VCMMXZQDRFWYSE-UHFFFAOYSA-N,188.047344116,1.7175,plumbagin,10205.0,O=C1C=CC(=O)c2ccccc21,54.37,0.27154,CC1=CC(=O)c2c(O)cccc2C1=O,Broth microdilution,Acinetobacter baumannii,
48
- 45941419,CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1,HBUPPCLFCIMQJL-BZSNNMDCSA-N,390.22670543999993,-0.18709999999999694,"n-[(2r,3s,6s)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide",54639719.0,O=C(Cc1ccccn1)N[C@H]1CC[C@@H](CC(=O)N2CCNCC2)OC1,95.0,0.042511053,CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1,Broth microdilution,Acinetobacter baumannii,
49
- 46892958,COCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C,XDLHQIAWJMBGCC-STSQHVNTSA-N,506.20867242799994,2.2356,"n-[[(4r,5r)-2-[(2s)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-2-methoxy-n-methylacetamide",54626458.0,O=S1(=O)NCCCOc2cc(-c3ccccc3)ccc21,105.61,0.025380845,COCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C,Broth microdilution,Acinetobacter baumannii,
50
- 47699152,COc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)O3)cc1,CFOMXGLRUGTVCI-KYTVRQNUSA-N,518.2529201880001,3.0734000000000012,"n-[[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methyl-2-pyridin-4-ylacetamide",60185670.0,O=C(Cc1ccncc1)NC[C@H]1CCNC(=O)c2cc(-c3ccccc3)cnc2O1,105.09,0.011196151,COc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)O3)cc1,Broth microdilution,Acinetobacter baumannii,
51
- 48272126,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,DKYWVDODHFEZIM-UHFFFAOYSA-N,254.094294308,3.1057000000000015,ketoprofen,3825.0,O=C(c1ccccc1)c1ccccc1,54.37,0.00431,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,Broth microdilution,Acinetobacter baumannii,
52
- 48628276,C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](NC(=O)[C@@H](CC=C)CC(=O)N[C@@H](CO)Cc1ccccc1)C(C)(C)C,OSYJEGYVZCLGLF-MPOKNQLQSA-N,594.3469008239999,5.326900000000005,"[(2s)-2-[[(2s)-2-[2-[[(2r)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3,3-dimethylbutyl] (2r)-2-[(4-fluorophenyl)methyl]hex-5-enoate",44201413.0,O=C(CCC(=O)NCCc1ccccc1)NCCOC(=O)CCc1ccccc1,104.73,0.104543987,C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](NC(=O)[C@@H](CC=C)CC(=O)N[C@@H](CO)Cc1ccccc1)C(C)(C)C,Broth microdilution,Acinetobacter baumannii,
53
- 49262583,O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1,WPGQEWJIWPMTIT-FMKPAKJESA-N,361.163770836,-0.2551999999999983,"n-[(2r,3r,6s)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2h-pyran-3-yl]pyridine-2-carboxamide",54643414.0,O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)OC1)c1ccccn1,100.99,-0.074680298,O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1,Broth microdilution,Acinetobacter baumannii,
54
- 49474939,C[C@@H]1COC(=O)N1,VAJFEOKPKHIPEN-GSVOUGTGSA-N,101.047678464,0.11470000000000008,(r)-4-methyloxazolidin-2-one,2734858.0,O=C1NCCO1,38.33,-0.035850133,C[C@@H]1COC(=O)N1,Broth microdilution,Acinetobacter baumannii,
55
- 49793851,CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@@H](C(=O)NCCCCCNC(=O)CS)[C@@H](c3ccc(O)cc3)N2C1=O,DKUXESQMPJFFCR-JTOYRKQZSA-N,561.262104968,0.7877000000000023,"(3s,6s,7r,8ar)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-n-[5-[(2-sulfanylacetyl)amino]pentyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide",23747871.0,O=C1NCC(=O)N2[C@@H]1CC[C@H]2c1ccccc1,156.94,-0.027284155,CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@@H](C(=O)NCCCCCNC(=O)CS)[C@@H](c3ccc(O)cc3)N2C1=O,Broth microdilution,Acinetobacter baumannii,
56
- 50315105,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,YVPYQUNUQOZFHG-UHFFFAOYSA-N,613.769650768,3.1154,diatrizoate,2140.0,c1ccccc1,95.5,0.08874,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,Broth microdilution,Acinetobacter baumannii,
57
- 51809892,NC(=O)c1ccccc1NC(=O)CCC(=O)O,HRLIYPIUNLRQHA-UHFFFAOYSA-N,236.079706864,0.5888,4-((2-carbamoylphenyl)amino)-4-oxobutanoic acid,264307.0,c1ccccc1,109.49,-0.2189032339999999,NC(=O)c1ccccc1NC(=O)CCC(=O)O,Broth microdilution,Acinetobacter baumannii,
58
- 53237574,CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCCCN3CCOCC3)CC[C@@H]21,ZRBZCINSHPMATE-LWYYNNOASA-N,456.294785,-0.056099999999996264,"(3s,6as,8s,10as)-3-hydroxy-8-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-n-propyl-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocine-1-carboxamide",54658381.0,O=C(C[C@@H]1CC[C@@H]2NCCCOC[C@H]2O1)NCCCN1CCOCC1,112.60000000000002,-0.1929128280000001,CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCCCN3CCOCC3)CC[C@@H]21,Broth microdilution,Acinetobacter baumannii,
59
- 53558607,C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N/OCC(=O)O)c3csc(N)n3)C2SC1,OKBVVJOGVLARMR-UHFFFAOYSA-N,453.04128982000003,-0.5447999999999991,"7-(2-(2-amino-1,3-thiazol-4-yl)((carboxymethoxy)imino)acetamido)-3-ethenyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid",2675.0,N=C(C(=O)NC1C(=O)N2C=CCSC12)c1cscn1,184.51,0.1155199999999999,C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N/OCC(=O)O)c3csc(N)n3)C2SC1,Broth microdilution,Acinetobacter baumannii,
60
- 54618278,CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2,MUXFZBHBYYYLTH-UHFFFAOYSA-N,298.066365308,3.764700000000002,zaltoprofen,5720.0,O=C1Cc2ccccc2Sc2ccccc21,54.37,-0.0497050000000001,CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2,Broth microdilution,Acinetobacter baumannii,
61
- 55375726,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,CRKGMGQUHDNAPB-UHFFFAOYSA-N,458.99779541199996,6.170300000000004,sulconazole nitrate,65495.0,c1ccc(CSC(Cn2ccnc2)c2ccccc2)cc1,81.19,-0.2553000000000001,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,Broth microdilution,Acinetobacter baumannii,
62
- 55916372,O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)N1CCC(Cc2ccccc2)CC1,WRYGCQUVRYTJFJ-GPXOXTDOSA-N,504.20942137599997,2.8839000000000015,"n-[(2r,3r,6r)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide",54642236.0,O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)CO1)N1CCC(Cc2ccccc2)CC1,95.94,0.1193057779999999,O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)N1CCC(Cc2ccccc2)CC1,Broth microdilution,Acinetobacter baumannii,
63
- 56374342,CCc1ccc(NC(=N)N=C(N)N)cc1,WPKBSPYSDWCUOQ-UHFFFAOYSA-N,205.13274547999998,0.8690699999999999,1-(diaminomethylidene)-2-(4-ethylphenyl)guanidine,2725595.0,c1ccccc1,100.28,0.013072152,CCc1ccc(NC(=N)N=C(N)N)cc1,Broth microdilution,Acinetobacter baumannii,
64
- 56435706,COc1ccc([Si](C)(C)[C@H]2[C@H](CC(=O)N(CCO)Cc3ccccc3)O[C@@]3(C(=O)N(Cc4cccc(N5CCCCC5=O)c4)c4ccccc43)[C@@H]2C)cc1,FGHNHLWVAFSWCM-JFZTYIJKSA-N,745.354712882,6.386100000000006,"n-benzyl-n-(2-hydroxyethyl)-2-[(2's,3s,3'r,4's)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]acetamide",23728289.0,O=C(C[C@@H]1O[C@]2(C[C@H]1[SiH2]c1ccccc1)C(=O)N(Cc1cccc(N3CCCCC3=O)c1)c1ccccc12)NCc1ccccc1,99.61999999999998,-0.1408575469999999,COc1ccc([Si](C)(C)[C@H]2[C@H](CC(=O)N(CCO)Cc3ccccc3)O[C@@]3(C(=O)N(Cc4cccc(N5CCCCC5=O)c4)c4ccccc43)[C@@H]2C)cc1,Broth microdilution,Acinetobacter baumannii,
65
- 56887524,C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1,PRSMZMZEKPUCPK-OHUGHZGNSA-N,511.214092156,2.5085000000000006,"n-[[(4r,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-n-methylcyclobutanecarboxamide",54629181.0,O=C(NC[C@@H]1CCNS(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O1)C1CCC1,100.04,0.057960298,C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1,Broth microdilution,Acinetobacter baumannii,
66
- 57174476,O=C1c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2O[C@@]1(O)Cc1ccc(O)cc1,KJIWCKSQHHNTTL-HPCBLLCTSA-N,450.11621152399994,-1.2171000000000005,"(2s)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one",38345959.0,O=C1c2c(cccc2O[C@H]2CCCCO2)OC1Cc1ccccc1,186.37,-0.0530977939999999,O=C1c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2O[C@@]1(O)Cc1ccc(O)cc1,Broth microdilution,Acinetobacter baumannii,
67
- 58364310,O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)O1)NCCN1CCCCC1,QDBHDTVABPFXGM-SKWRMQMOSA-N,529.201334552,1.6302000000000003,"2-[(3r,6ar,8s,10ar)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-piperidin-1-ylethyl)acetamide",60183956.0,O=C(C[C@@H]1CC[C@@H]2[C@H](COCCCN2S(=O)(=O)c2ccccc2)O1)NCCN1CCCCC1,108.41,-0.01230836,O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)O1)NCCN1CCCCC1,Broth microdilution,Acinetobacter baumannii,
68
- 59501445,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,VMZHRYOGDIMFNZ-UHFFFAOYSA-N,522.168538932,1.0921999999999998,"n-(2-(5-benzyl-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-4-(morpholinosulfonyl)benzamide",41232045.0,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,128.42,-0.0842393079999999,O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,Broth microdilution,Acinetobacter baumannii,
69
- 62912568,O=C(O)/C=C/C=C/c1ccc2c(c1)OCO2,RHBGITBPARBDPH-UHFFFAOYSA-N,218.0579088,2.0693,"5-(1,3-benzodioxol-5-yl)-2,4-pentadienoic acid",94305.0,c1ccc2c(c1)OCO2,55.760000000000005,-0.1100499999999999,O=C(O)/C=C/C=C/c1ccc2c(c1)OCO2,Broth microdilution,Acinetobacter baumannii,
70
- 64981596,CCNC(=O)CC[C@H](N)C(=O)[O-].[K+],DGLVJRIZJHOXLW-JEDNCBNOSA-M,212.056323956,-5.016099999999998,theanine potassium,23722663.0,,95.25,-0.0024049999999999,CCNC(=O)CC[C@H](N)C(=O)[O-].[K+],Broth microdilution,Acinetobacter baumannii,
71
- 68788520,O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCOCC1,INOAIBAAQYWPCB-OKZBNKHCSA-N,422.2529201879999,0.8810999999999991,"n-[(2s,3s,6s)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide",54639863.0,O=C(N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)OC1)C1CCOCC1,118.73000000000002,0.021798753,O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCOCC1,Broth microdilution,Acinetobacter baumannii,
72
- 69119183,COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,FAIIFDPAEUKBEP-UHFFFAOYSA-N,385.127385328,2.4578800000000003,nilvadipine,4494.0,C1=CC(c2ccccc2)C=CN1,131.56,-0.2122999999999999,COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,Broth microdilution,Acinetobacter baumannii,
73
- 71680801,COC(=O)c1cccc(C(=O)OC)n1,SNQQJEJPJMXYTR-UHFFFAOYSA-N,195.053157768,0.6547999999999999,"dimethyl pyridine-2,6-carboxylate",79549.0,c1ccncc1,65.49000000000001,-0.0042273989999999,COC(=O)c1cccc(C(=O)OC)n1,Broth microdilution,Acinetobacter baumannii,
74
- 71708071,Clc1ccc(CSc2nc3ccccc3s2)cc1,MHPLBFVYJVGKFF-UHFFFAOYSA-N,290.99431899999996,5.242000000000003,"1,3-benzothiazol-2-yl 4-chlorobenzyl sulfide",752038.0,c1ccc(CSc2nc3ccccc3s2)cc1,12.89,-0.1233419549999998,Clc1ccc(CSc2nc3ccccc3s2)cc1,Broth microdilution,Acinetobacter baumannii,
75
- 74070357,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,AKUJBENLRBOFTD-DKNQJTFPSA-N,434.210466932,2.466500000000001,pharmakon1600-01505723,45006158.0,O=C1C=CC2C(=C1)CCC1C3CCCC3CCC21,100.90000000000002,0.10528,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Broth microdilution,Acinetobacter baumannii,
76
- 75020564,CCOC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3,NLYNIRQVMRLPIQ-UCHVITTHSA-N,312.193673996,3.230900000000002,"(1s,4s,5r,8s,9r,12r,13r)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane",9796807.0,C1C[C@@H]2CCC3OO[C@@]24[C@@H](C1)CCO[C@@H]4O3,46.150000000000006,-0.2249000000000001,CCOC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3,Broth microdilution,Acinetobacter baumannii,
77
- 76430957,CC(C)(C)OC(=O)N1CCNC(=O)C1,FCMLWBBLOASUSO-UHFFFAOYSA-N,200.116092372,0.3533,tert-butyl 3-oxopiperazine-1-carboxylate,3157178.0,O=C1CNCCN1,58.64,0.0287818069999999,CC(C)(C)OC(=O)N1CCNC(=O)C1,Broth microdilution,Acinetobacter baumannii,
78
- 77662201,CC(C)[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(O[C@H](C)c1cn([C@H](C)c2ccccc2)nn1)C(C)C,IBORDEOOLDHHIL-KAYWLYCHSA-N,511.3414162480001,8.491100000000007,[(1r)-1-[1-[(1r)-1-phenylethyl]triazol-4-yl]ethoxy]-di(propan-2-yl)-[2-tri(propan-2-yl)silylethynyl]silane,23806226.0,c1ccc(Cn2ccnn2)cc1,39.94,0.0987531109999999,CC(C)[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(O[C@H](C)c1cn([C@H](C)c2ccccc2)nn1)C(C)C,Broth microdilution,Acinetobacter baumannii,
79
- 79193814,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O,YQZBAXDVDZTKEQ-UHFFFAOYSA-N,445.1404485479999,3.707200000000002,"4-(2-chlorodibenzo[b,f][1,4]oxazepin-11-yl)-1-methylpiperazin-1-ium 3-carcoxypropanoate",139061676.0,c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2,102.67,-0.1527499999999999,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O,Broth microdilution,Acinetobacter baumannii,
80
- 80047111,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1,ANJTVLIZGCUXLD-DTWKUNHWSA-N,190.110613068,0.5549999999999999,cytisine,10235.0,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1,34.03,-0.1607988869999999,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1,Broth microdilution,Acinetobacter baumannii,
81
- 81560682,Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,UHDGCWIWMRVCDJ-STUHELBRSA-N,243.085520516,-2.563,"2(1h)-pyrimidinone, 4-amino-1-arabinofuranosyl-",114682.0,O=c1ncccn1C1CCCO1,130.82999999999998,-0.09375,Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,Broth microdilution,Acinetobacter baumannii,
82
- 81672074,COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)CN3CCOCC3)O[C@H]2CO)cc1,QMKXNPKBXXPBLD-RLLQIKCJSA-N,471.20392139599994,-0.2794999999999963,"n-[2-[(2r,5r,6r)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide",54642175.0,O=C(CN1CCOCC1)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)CO1,126.43,-0.093681729,COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)CN3CCOCC3)O[C@H]2CO)cc1,Broth microdilution,Acinetobacter baumannii,
83
- 82645483,CCOn1c(=O)c(=O)n(OC)c2ccccc21,AIQLLWNLSCBXRE-UHFFFAOYSA-N,236.079706864,-0.3298999999999994,"1-ethoxy-4-methoxyquinoxaline-2,3-dione",710933.0,O=c1[nH]c2ccccc2[nH]c1=O,62.46,-0.03310944,CCOn1c(=O)c(=O)n(OC)c2ccccc21,Broth microdilution,Acinetobacter baumannii,
84
- 83351554,Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3Nc1ccc(Cl)cc1,CIIKHUUSTDHMQG-GOSISDBHSA-N,310.123676288,5.619220000000003,"(1r)-n-(4-chlorophenyl)-6-methyl-2,3,4,9-tetrahydro-1h-carbazol-1-amine",92243442.0,c1ccc(N[C@@H]2CCCc3c2[nH]c2ccccc32)cc1,27.82,-0.033701725,Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3Nc1ccc(Cl)cc1,Broth microdilution,Acinetobacter baumannii,
85
- 83611884,CCC1(CC)C(=O)NC(=O)NC1=O,FTOAOBMCPZCFFF-UHFFFAOYSA-N,184.084792244,0.15879999999999994,barbital,2294.0,O=C1CC(=O)NC(=O)N1,75.27000000000001,0.083285,CCC1(CC)C(=O)NC(=O)NC1=O,Broth microdilution,Acinetobacter baumannii,
86
- 84194576,COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)CN3CCOCC3)O[C@H]2CO)cc1,QMKXNPKBXXPBLD-HOJAQTOUSA-N,471.20392139599994,-0.2794999999999963,"n-[2-[(2r,5s,6r)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide",54642173.0,O=C(CN1CCOCC1)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)CO1,126.43,-0.0522254689999999,COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)CN3CCOCC3)O[C@H]2CO)cc1,Broth microdilution,Acinetobacter baumannii,
87
- 84271971,O=C(O)C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1,UPNXSRPOUHAKIC-RGOKHQFPSA-N,245.126322708,-0.641999999999999,"2-[(3r,6ar,8s,10ar)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid",54658486.0,C1CN[C@@H]2CCCO[C@H]2COC1,88.02000000000001,0.05723663,O=C(O)C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1,Broth microdilution,Acinetobacter baumannii,
88
- 85734430,CC(C)N1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1Cl)[C@H]2c1ccc(CO)cc1,SQPMAWGSXVYETA-VBTAUBHQSA-N,550.2023205319999,6.465100000000008,"(3s,4s)-2-[(2-chlorophenyl)methyl]-3-[4-(hydroxymethyl)phenyl]-1'-propan-2-ylspiro[3h-isoquinoline-4,3'-4h-quinoline]-1,2'-dione",23806134.0,O=C1c2ccccc2[C@@]2(Cc3ccccc3NC2=O)[C@H](c2ccccc2)N1Cc1ccccc1,60.85000000000001,0.094796257,CC(C)N1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1Cl)[C@H]2c1ccc(CO)cc1,Broth microdilution,Acinetobacter baumannii,
89
- 86793897,O=C(O)COc1nn(Cc2ccccc2)c2ccccc12,BYFMCKSPFYVMOU-UHFFFAOYSA-N,282.10044230799997,2.548,bendazac,2313.0,c1ccc(Cn2ncc3ccccc32)cc1,64.35,0.06261,O=C(O)COc1nn(Cc2ccccc2)c2ccccc12,Broth microdilution,Acinetobacter baumannii,
90
- 89123512,CC(=O)N1c2ccccc2C2=NNC(=S)N[C@]21O,SUPPGHRYZFAMEH-LLVKDONJSA-N,262.05244656,-0.11899999999999983,"1-[(4ar)-4a-hydroxy-3-sulfanylidene-2,4-dihydro-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone",699108.0,S=C1NN=C2c3ccccc3NC2N1,76.96000000000001,-0.004950537,CC(=O)N1c2ccccc2C2=NNC(=S)N[C@]21O,Broth microdilution,Acinetobacter baumannii,
91
- 90527965,CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3.Cl,SKYZYDSNJIOXRL-UHFFFAOYSA-N,303.10260649599996,3.271700000000003,(r)-apomorphine-d4 hydrochloride,5702010.0,c1ccc2c(c1)CC1NCCc3cccc-2c31,43.7,0.1139949999999999,CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3.Cl,Broth microdilution,Acinetobacter baumannii,
92
- 90826761,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,RERZNCLIYCABFS-UHFFFAOYSA-N,214.110613068,2.5416000000000007,harmaline,3564.0,C1=NCCc2c1[nH]c1ccccc21,37.38,0.1955099999999999,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,Broth microdilution,Acinetobacter baumannii,
93
- 93056880,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,DDNCQMVWWZOMLN-IRLDBZIGSA-N,350.199428072,4.148300000000003,vinpocetine,443955.0,C1=Cn2c3c(c4ccccc42)CCN2CCCC1[C@@H]32,34.47,-0.0598,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,Broth microdilution,Acinetobacter baumannii,
94
- 93355811,Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)cc1,GZSVWGYMFGXFHT-FFZOFVMBSA-N,502.0999062639999,2.2038199999999994,"2-chloro-n-[(2s,3s,6s)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]benzenesulfonamide",54644153.0,O=S(=O)(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)CO1)c1ccccc1,121.8,0.106906558,Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)cc1,Broth microdilution,Acinetobacter baumannii,
95
- 93398612,CCNC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1,KKMDXYRRDMKCFC-MGPQQGTHSA-N,328.19982199599997,-0.03609999999999908,"n-[(2s,3r,6r)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide",54644404.0,O=C(N[C@@H]1CCCOC1)C1CCOCC1,96.89,-0.075736685,CCNC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1,Broth microdilution,Acinetobacter baumannii,
96
- 93423883,COc1ccc2nccc(Cl)c2c1,BEOVBLPXVFICSP-UHFFFAOYSA-N,193.029441556,2.8968000000000016,4-chloro-6-methoxyquinoline,228348.0,c1ccc2ncccc2c1,22.12,-0.069964809,COc1ccc2nccc(Cl)c2c1,Broth microdilution,Acinetobacter baumannii,
97
- 95184380,C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)c1ccc(C(=O)NO)cc1,DCTYCHGTVCJQMT-BVALORAHSA-N,341.12229994800003,-2.015299999999999,,,c1ccccc1,171.70999999999998,-0.0874309150000001,C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)c1ccc(C(=O)NO)cc1,Broth microdilution,Acinetobacter baumannii,
98
- 95407070,NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1,OLEOCPWWWIUKOR-UHFFFAOYSA-N,358.08480930800005,-0.18789999999999996,"2-[[5-[(2,4-dioxo-1h-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide",4164921.0,O=c1cc(Cc2nncn2-c2ccccc2)[nH]c(=O)[nH]1,139.51999999999998,-0.055780627,NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1,Broth microdilution,Acinetobacter baumannii,
99
- 97859466,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc(F)c2)Oc2cc(C#CC3(O)CCCC3)ccc2S1(=O)=O,TUFBGBBCOSPNIK-UZINWLIJSA-N,573.230885092,3.4148000000000023,"3-(3-fluorophenyl)-1-[[(4s,5r)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea",46903439.0,O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(C#CC3CCCC3)cc2O1)Nc1ccccc1,119.41,0.267386004,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc(F)c2)Oc2cc(C#CC3(O)CCCC3)ccc2S1(=O)=O,Broth microdilution,Acinetobacter baumannii,
100
- 98009368,COc1cccc(NC(=O)N(C)C[C@@H]2Oc3cc(C#CC4(O)CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)c1,UFPGTWMRZCUHBI-BERHBOFZSA-N,585.2508715879999,3.2843000000000018,"1-[[(4s,5r)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea",54618189.0,O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(C#CC3CCCC3)cc2O1)Nc1ccccc1,128.64,-0.1239983339999999,COc1cccc(NC(=O)N(C)C[C@@H]2Oc3cc(C#CC4(O)CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)c1,Broth microdilution,Acinetobacter baumannii,
101
- 98341175,NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO,DIPHAYFGEXJQOT-DWNAWVCDSA-N,832.3332957480001,3.4873000000000043,"3-[(3r,3'r,4's,6'r,8's,8'as)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-5-yl]prop-2-ynylurea",6729575.0,O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccccc1,192.54999999999995,-0.3471961329999999,NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO,Broth microdilution,Acinetobacter baumannii,
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
cache/df-load/6f76d8f645ecfde2.csv DELETED
@@ -1,4 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 10262212,teixobactin,86341926,CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@H]2CN=C(N)N2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC,LMBFAGIMSUYTBN-MPZNNTNKSA-N,1241.7132073399998,-4.258600000000013,Escherichia coli,Broth microdilution,
3
- 75783880,darobactin,154586077,NCCC[C@H]1c2ccc3c(c[nH]c3c2)[C@H]2Oc3cccc4c(c[nH]c34)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC2C(=O)N[C@@H](CO)C(=O)N[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,HRMCRRLPTVSYHJ-CPGNCTABSA-N,965.4031661999999,-2.415099999999998,Escherichia coli,Broth microdilution,
4
- 76688380,clovibactin,146342518,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc2ccccc2)[C@H](C(N)=O)OC(=O)[C@H](CC(C)C)NC1=O,SMQAHGKBWXPEHB-HHHSQLJLSA-N,902.52255306,-2.359800000000007,Escherichia coli,Broth microdilution,
 
 
 
 
 
cache/df-load/7c8707468371d23b.csv DELETED
@@ -1,3 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 84632098,trimethoprim,5578,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,IEDVJHCEMCRBQM-UHFFFAOYSA-N,290.137890436,1.2575999999999996,Escherichia coli,Broth microdilution,
3
- 27056824,amikacin,37768,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,LKCWBDHBTVXHDL-RMDFUYIESA-N,585.2857364359998,-8.424200000000015,Escherichia coli,Broth microdilution,
 
 
 
 
cache/df-load/82a4343b05ae4ffd.csv DELETED
@@ -1,7 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 84632098,trimethoprim,5578,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,IEDVJHCEMCRBQM-UHFFFAOYSA-N,290.137890436,1.2575999999999996,Escherichia coli,Broth microdilution,
3
- 53665249,sch-79797,4259181,CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1,AVXQPEKZIGPIJW-UHFFFAOYSA-N,371.2109958000001,4.912700000000004,Escherichia coli,Broth microdilution,
4
- 25606904,pemetrexed,135410875,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,WBXPDJSOTKVWSJ-ZDUSSCGKSA-N,427.14918339199994,0.6664,Escherichia coli,Broth microdilution,
5
- 25889936,nolatrexed,135400184,Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,XHWRWCSCBDLOLM-UHFFFAOYSA-N,284.073182004,2.35992,Escherichia coli,Broth microdilution,
6
- 94031947,methotrexate,126941,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,FBOZXECLQNJBKD-ZDUSSCGKSA-N,454.1713158039999,0.2684000000000003,Escherichia coli,Broth microdilution,
7
- 99461212,raltitrexed,135400182,Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1,IVTVGDXNLFLDRM-HNNXBMFYSA-N,458.1260054239999,1.9772199999999995,Escherichia coli,Broth microdilution,
 
 
 
 
 
 
 
 
cache/df-load/8babc8c5505828c4.csv DELETED
@@ -1,101 +0,0 @@
1
- id,smiles,inchikey,mwt,clogp,pubchem_name,pubchem_id,scaffold,tpsa,normalized_inhibition,SMILES,mic_method,full_strain_name,pmic
2
- 10300503,COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2ccc(Cl)s2)cc1Cl,CURVSIRRHYEYDT-JOCHJYFZSA-N,510.03384657199996,5.7355000000000045,,,O=C(NCCc1ccccc1)[C@H](Nc1ccccc1)c1cccs1,58.64,0.626485951,COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2ccc(Cl)s2)cc1Cl,Broth microdilution,Staphylococcus aureus,
3
- 10311401,C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1,DKIVYPZVYUOSIP-KJMNMTOCSA-N,738.3022534400001,5.199100000000005,"1-[[(3r,9r,10r)-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methylimidazol-4-yl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea",54615457.0,O=C(NC[C@H]1CCNC(=O)c2cc(NS(=O)(=O)c3c[nH]cn3)ccc2OCCCCCO1)Nc1ccccc1,155.33000000000004,-0.0888659769999999,C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1,Broth microdilution,Staphylococcus aureus,
4
- 10402248,C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2cccs2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1,VLRBDDYJQHBRCQ-QXFFIUSXSA-N,690.255719936,5.647400000000006,"1-(4-fluorophenyl)-3-[(3r,9s,10s)-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea",44504276.0,O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)NCC[C@@H](CNS(=O)(=O)c1cccs1)OCCCCCO2,137.51000000000002,0.0977220909999999,C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2cccs2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1,Broth microdilution,Staphylococcus aureus,
5
- 10445580,C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1,UHYLZCFMZDIRGN-URCRQUEMSA-N,652.248424888,6.720300000000006,"1-[(2s,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea",44486528.0,O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)NCC[C@@H](CNCc1ccccc1)O2,94.14,0.0915484079999999,C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1,Broth microdilution,Staphylococcus aureus,
6
- 10488939,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C#N)cc2)Oc2ncc(C#CCN(C)C)cc2C1=O,HLZYJMHMFAQKCT-DFIYOIEZSA-N,539.220240156,1.4071800000000003,"4-cyano-n-[[(2r,3s)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylbenzenesulfonamide",44506133.0,O=C1NCC[C@H](CNS(=O)(=O)c2ccccc2)Oc2ncccc21,127.06999999999998,0.073649798,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C#N)cc2)Oc2ncc(C#CCN(C)C)cc2C1=O,Broth microdilution,Staphylococcus aureus,
7
- 10535793,COc1ccc([C@@H]([C@H](Cc2ccccc2)OC(C)=O)N2C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@@H]3[C@H]([C@@H]2Cc2ccccc2)N(C)O[C@H]3c2ccccc2)cc1,KTUXVKZBKBWGLR-QZRIQWDPSA-N,749.219004484,7.295700000000008,,,c1ccc(CC[C@H](c2ccccc2)N2CC[C@@H]3[C@@H](NO[C@H]3c3ccccc3)[C@@H]2Cc2ccccc2)cc1,80.34,-0.0343092819999999,COc1ccc([C@@H]([C@H](Cc2ccccc2)OC(C)=O)N2C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@@H]3[C@H]([C@@H]2Cc2ccccc2)N(C)O[C@H]3c2ccccc2)cc1,Broth microdilution,Staphylococcus aureus,
8
- 10759739,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(Br)cnc2O[C@H]1CN(C)C(=O)CN1CCOCC1,SNAMBJYBGFVODZ-VKJFTORMSA-N,498.147782192,0.8548000000000009,"n-[[(2r,3r)-8-bromo-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methyl-2-morpholin-4-ylacetamide",46903896.0,O=C(CN1CCOCC1)NC[C@H]1CCNC(=O)c2cccnc2O1,95.44,0.061673708,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(Br)cnc2O[C@H]1CN(C)C(=O)CN1CCOCC1,Broth microdilution,Staphylococcus aureus,
9
- 10793175,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)OCCCC[C@H](C)O3)cc1,OUJBPOBLHVPJKV-OWNVZFKLSA-N,699.330184528,5.360060000000005,"3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(4-methylphenyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea",49843229.0,O=C(NC[C@H]1CCNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OCCCCCO1)Nc1cnoc1,163.53999999999996,0.0800576929999999,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)OCCCC[C@H](C)O3)cc1,Broth microdilution,Staphylococcus aureus,
10
- 10894018,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1,MGXDQALVEHELJP-GVNDJSPXSA-N,619.16744758,5.454720000000005,"n-[(2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide",44493335.0,O=C1NCC[C@@H](CNCc2ccccc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc21,99.17999999999998,-0.275643544,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1,Broth microdilution,Staphylococcus aureus,
11
- 10962854,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,QFRUZVNPYYYLAN-UHFFFAOYSA-N,472.2461034919999,4.354100000000003,"methyl 2-[13-(furan-3-yl)-5-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate",3685255.0,C=C1C2CCC3C(c4ccoc4)OC(=O)CC13OC1CCCCC12,95.2,-0.07485,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,Broth microdilution,Staphylococcus aureus,
12
- 10980146,CN(C)CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1,KFJWWFDUKTYHIL-PQNGQFLHSA-N,418.200490692,0.5405000000000013,,,O=C1CNC[C@@H]2[C@@H](c3ccc(C#Cc4cccnc4)cc3)CN12,76.98,0.0285210289999999,CN(C)CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1,Broth microdilution,Staphylococcus aureus,
13
- 11132648,COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)c4ccncc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1,SACXWSAQDFIOTK-ZIZQKJAQSA-N,632.357385256,5.270000000000006,"n-[(3s,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]pyridine-4-carboxamide",54615973.0,O=C(Nc1ccc2c(c1)C(=O)NCC[C@@H](CNCc1ccccc1)OCCCCCO2)c1ccncc1,113.46,-0.0796803999999999,COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)c4ccncc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1,Broth microdilution,Staphylococcus aureus,
14
- 11151134,CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@H](C)CO)C[C@@H]1C,KEJFTVNXBCIWBZ-YRNRMSPPSA-N,516.25595488,3.2375000000000016,"4,4,4-trifluoro-n-[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide",44484148.0,O=C1NCCCOc2ccccc21,111.21,0.032939448,CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@H](C)CO)C[C@@H]1C,Broth microdilution,Staphylococcus aureus,
15
- 11165847,C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1,SCAUOYDVVUBTHZ-PHLCOOFXSA-N,626.2904485679999,6.614100000000007,"1-(4-fluorophenyl)-3-[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]urea",44495202.0,O=C(Nc1ccccc1)Nc1cccc2c1O[C@@H](CNCc1ccc(Oc3ccccc3)cc1)CCNC2=O,103.37,-0.0763907909999999,C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1,Broth microdilution,Staphylococcus aureus,
16
- 11257498,COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccccc4Cl)cc3C(=O)N2C)O1,QTFAPORQFWHYLC-BPAFIMBUSA-N,508.10709982,3.084500000000002,"2-[(2r,4as,12ar)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester",54654444.0,O=C1N[C@H]2CCCO[C@H]2COc2ccc(NS(=O)(=O)c3ccccc3)cc21,111.24,-0.0724240739999999,COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccccc4Cl)cc3C(=O)N2C)O1,Broth microdilution,Staphylococcus aureus,
17
- 11438656,C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O,XVYOOKZSJKWNFH-DDFCPOBKSA-N,599.2856172840002,3.4562000000000017,"n-[(2s,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-2-(tetrazol-1-yl)acetamide",44202786.0,O=C(Cn1cnnn1)Nc1ccc2c(c1)C(=O)NCC[C@@H](CNCc1ccc(Oc3ccccc3)cc1)O2,134.94,-0.1471774409999999,C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O,Broth microdilution,Staphylococcus aureus,
18
- 11797999,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O,TVULDWINFMHBSA-FVJLSDCUSA-N,597.138561332,1.8232000000000002,"n-[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(thiophen-2-ylsulfonylamino)-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-n,1-dimethylimidazole-4-sulfonamide",54614564.0,O=C1NCC[C@H](CNS(=O)(=O)c2c[nH]cn2)Oc2ccc(NS(=O)(=O)c3cccs3)cc21,151.14,0.06703656,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O,Broth microdilution,Staphylococcus aureus,
19
- 13347477,C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc2c(c1)OCCN2C,VRVGAAPGNIASDT-RNHFSVANSA-N,500.31110376,1.7632000000000005,"(8r,9r)-6-[(2s)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one",44488168.0,O=C1CCCn2cc(nn2)CO[C@@H](CNCc2ccc3c(c2)OCCN3)CCN1,96.19,0.003680216,C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc2c(c1)OCCN2C,Broth microdilution,Staphylococcus aureus,
20
- 14549897,C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1,GTUQXIUJJGJFLR-NBTLCYJSSA-N,709.3120898520001,5.167200000000005,"n-[(3r,9r,10s)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methylimidazole-4-sulfonamide",54615829.0,O=C1NCC[C@H](CNCc2ccccc2)OCCCCCOc2ccc(NS(=O)(=O)c3c[nH]cn3)cc21,126.23,-0.0816789179999999,C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1,Broth microdilution,Staphylococcus aureus,
21
- 15379742,C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)C(=O)Nc1cccc(F)c1,SBAPUWDMESMVAK-KHCICDEESA-N,511.259482788,2.5178000000000003,"1-[[(2s,3r)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-fluorophenyl)-1-methylurea",54626507.0,O=C(NC[C@@H]1CCNC(=O)c2cccnc2O1)Nc1ccccc1,98.24,-0.042024244,C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)C(=O)Nc1cccc(F)c1,Broth microdilution,Staphylococcus aureus,
22
- 17003419,C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C(=O)c1ccc2c(c1)OCO2,OLXAFIGJOPTJGQ-LJKQEARRSA-N,553.1882713319999,3.0181000000000013,"n-[[(4r,5s)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-3-yl-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-n-methyl-1,3-benzodioxole-5-carboxamide",54625482.0,O=C(NC[C@@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccc2c(c1)OCO2,118.5,-0.0995123630000001,C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C(=O)c1ccc2c(c1)OCO2,Broth microdilution,Staphylococcus aureus,
23
- 17434512,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CC2)O3)cc1,UJDQBCQJOGKHTG-VKIDHGPPSA-N,545.255956968,2.9868000000000006,"n-[(2r,3s)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide",44488635.0,O=C1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H](CNCC2CC2)CCN1,108.41,0.1277855199999999,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CC2)O3)cc1,Broth microdilution,Staphylococcus aureus,
24
- 17549310,Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(Oc3ccccc3)cc1)O2,XSTATDAYTJGYSZ-MEYXWREJSA-N,627.305684032,6.079840000000005,"1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]urea",44491231.0,O=C(Nc1cnoc1)Nc1ccc2c(c1)C(=O)NCC[C@@H](CNCc1ccc(Oc3ccccc3)cc1)O2,129.4,-0.020103098,Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(Oc3ccccc3)cc1)O2,Broth microdilution,Staphylococcus aureus,
25
- 20881398,c1coc(CNC[C@H]2Cn3nncc3CO2)c1,MPUDHGXRWDPTEJ-NSHDSACASA-N,234.111675688,0.5596999999999994,"1-[(6s)-6,7-dihydro-4h-triazolo[5,1-c][1,4]oxazin-6-yl]-n-(furan-2-ylmethyl)methanamine",97383631.0,c1coc(CNC[C@H]2Cn3nncc3CO2)c1,65.11,0.003526581,c1coc(CNC[C@H]2Cn3nncc3CO2)c1,Broth microdilution,Staphylococcus aureus,
26
- 21764498,C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)S(C)(=O)=O,BYWNQMINTGNSGE-YDHSSHFGSA-N,540.2617706199999,0.3878000000000039,"n-[(2r,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-morpholin-4-ylpropanamide",44504641.0,O=C1Cc2cc(NC(=O)CCN3CCOCC3)ccc2OCCCN1,128.72,-0.043086825,C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)S(C)(=O)=O,Broth microdilution,Staphylococcus aureus,
27
- 22046565,CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O,GFBOARZMZBDAJD-OVMXQCPESA-N,573.331504856,5.286300000000005,"1-[(4r,7r,8s)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[(4-pyridin-2-ylphenyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-propylurea",54636814.0,O=C1NCCCCN(Cc2ccc(-c3ccccn3)cc2)CCOc2ccccc21,96.03,-0.028216475,CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O,Broth microdilution,Staphylococcus aureus,
28
- 22150286,O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCOCC1,BXCZFVMJUIMWQL-SGLNWRHMSA-N,401.23145647200005,0.9071999999999996,"(2r,3r,3as,9bs)-n-cyclobutyl-3-(hydroxymethyl)-1-(oxan-4-ylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxamide",54664702.0,O=C(NC1CCC1)[C@H]1C[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCOCC1,83.80000000000001,-0.054982233,O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCOCC1,Broth microdilution,Staphylococcus aureus,
29
- 22492041,Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc1ccc3c(c1)OCO3)OCCCC[C@@H](C)O2,CUSQONBGSJHOTJ-PCVQZTMDSA-N,708.3482771160001,5.6235400000000055,"3-(1,3-benzodioxol-5-yl)-1-[[(3r,9r,10r)-16-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea",54615907.0,O=C(NC[C@H]1CCNC(=O)c2cc(NC(=O)Nc3cnoc3)ccc2OCCCCCO1)Nc1ccc2c(c1)OCO2,176.95999999999998,-0.071552544,Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc1ccc3c(c1)OCO3)OCCCC[C@@H](C)O2,Broth microdilution,Staphylococcus aureus,
30
- 23220715,C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1cccs1,NEJFTABTHXHYFG-KHCICDEESA-N,593.1324133319999,3.0897000000000014,"n-[[(2s,3r)-8-(benzenesulfonamido)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-n-methylthiophene-2-sulfonamide",44492802.0,O=C1NCC[C@@H](CNS(=O)(=O)c2cccs2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc21,133.32,-0.2820341070000001,C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1cccs1,Broth microdilution,Staphylococcus aureus,
31
- 23302542,N=C(N)NCCS,GAPFINWZKMCSBG-UHFFFAOYSA-N,119.05171828799999,-0.60073,2-(diaminomethylideneazaniumyl)ethanethiolate,133678641.0,,61.900000000000006,0.202548138,N=C(N)NCCS,Broth microdilution,Staphylococcus aureus,
32
- 24755315,Nc1ncc2[nH]cnc2n1,MWBWWFOAEOYUST-UHFFFAOYSA-N,135.05449516,-0.06490000000000012,2-aminopurine,9955.0,c1ncc2[nH]cnc2n1,80.48,-0.0607842970000001,Nc1ncc2[nH]cnc2n1,Broth microdilution,Staphylococcus aureus,
33
- 27068044,COc1ccccc1C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1ccc3c(c1)OCO3)O2,MIOBFWIJYZOKSQ-RLCGNTSFSA-N,571.231850396,3.211000000000002,"n-[[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methyl-1,3-benzodioxole-5-carboxamide",54618691.0,O=C(NC[C@H]1CCNC(=O)c2cc(C#Cc3ccccc3)cnc2O1)c1ccc2c(c1)OCO2,110.66,-0.1693758789999999,COc1ccccc1C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1ccc3c(c1)OCO3)O2,Broth microdilution,Staphylococcus aureus,
34
- 30515659,c1csc(Cn2cccc2)c1,DRZFDGBYLWYHMU-UHFFFAOYSA-N,163.045570288,2.5979,1-((thiophen-2-yl)methyl)-1h-pyrrole,2804470.0,c1csc(Cn2cccc2)c1,4.93,-0.1598829779999999,c1csc(Cn2cccc2)c1,Broth microdilution,Staphylococcus aureus,
35
- 30591396,COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)CCCN(C)C)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1,PJZMHUZBKKCYEV-RXYILKCJSA-N,604.293070748,2.4452000000000016,"4-(dimethylamino)-n-[(2s,3s)-5-[(2s)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide",44488147.0,O=C1Cc2ccccc2O[C@H](CNS(=O)(=O)c2ccccc2)CCN1,128.72,-0.224255568,COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)CCCN(C)C)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1,Broth microdilution,Staphylococcus aureus,
36
- 32480398,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O,OCOAZZWZFVYNQI-OJQFFXEZSA-N,669.2736269,7.1732000000000085,"n-[(3s,9r,10s)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide",54616881.0,O=C(Nc1ccc2c(c1)C(=O)NCC[C@H](CNCc1ccccc1)OCCCCCO2)c1ccccc1,91.34,-0.265484295,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O,Broth microdilution,Staphylococcus aureus,
37
- 34107523,Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)CCC(F)(F)F)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1,NPOKHEBSKVPEPK-RZDWVWPCSA-N,685.300856472,5.392220000000006,"4,4,4-trifluoro-n-[(3r,9s,10s)-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide",44616822.0,O=C1NCC[C@@H](CNS(=O)(=O)c2ccccc2)OCCCCCOc2ccccc21,125.48000000000002,-0.4908808099999999,Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)CCC(F)(F)F)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1,Broth microdilution,Staphylococcus aureus,
38
- 34313784,C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C(=O)CN1CCOCC1,YJFCUJWOMZOTGQ-GPMSIDNRSA-N,533.119518844,1.0083000000000009,"n-[[(4r,5s)-8-bromo-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-morpholin-4-ylacetamide",46904199.0,O=C(CN1CCOCC1)NC[C@@H]1CCNS(=O)(=O)c2ccccc2O1,99.62,0.0289050889999999,C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C(=O)CN1CCOCC1,Broth microdilution,Staphylococcus aureus,
39
- 35604931,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)OCCCC[C@@H](C)O3)cc1,OJPORFUYLSQDMM-JTFXUDPOSA-N,801.37713472,6.258000000000006,"n-(2-aminophenyl)-4-[[[(3r,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl-methylamino]methyl]benzamide",54615268.0,O=C(Nc1ccccc1)c1ccc(CNC[C@H]2CCNC(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3OCCCCCO2)cc1,172.75999999999996,0.248331176,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)OCCCC[C@@H](C)O3)cc1,Broth microdilution,Staphylococcus aureus,
40
- 36242777,C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1,YGSKPMJEACRFEQ-QQMNAOGKSA-N,618.227689444,5.3704000000000045,"4,4,4-trifluoro-n-[(2r,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide",44500446.0,O=C(NC[C@H]1CCNC(=O)c2ccccc2O1)Nc1ccccc1,111.21,-0.1264479279999999,C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1,Broth microdilution,Staphylococcus aureus,
41
- 36808031,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3nc4ccccc4s3)c2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1,URAPLHCKRADHID-BVFVYWQFSA-N,626.217461196,5.919500000000006,"n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide",44495768.0,O=C(Nc1cccc2c1O[C@H](CNCc1ccccc1)CCNC2=O)c1nc2ccccc2s1,95.0,-0.2611349279999999,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3nc4ccccc4s3)c2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1,Broth microdilution,Staphylococcus aureus,
42
- 39200147,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C(=O)C1CCCCC1,IZQDSCIBEURBDE-HYHRRZRMSA-N,621.3777863519999,5.773100000000007,"n-[(3s,9s,10r)-9-[[cyclohexanecarbonyl(methyl)amino]methyl]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide",44619025.0,O=C(Nc1ccc2c(c1)C(=O)NCC[C@@H](CNC(=O)C1CCCCC1)OCCCCCO2)c1ccccc1,108.41000000000004,-0.237754397,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C(=O)C1CCCCC1,Broth microdilution,Staphylococcus aureus,
43
- 39740149,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCN(C)C)cc2CC1=O,PSLIAFXEJSBFAE-MZXMJASYSA-N,616.362470636,5.040200000000005,"4-(dimethylamino)-n-[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide",44502977.0,O=C1Cc2ccccc2O[C@@H](CNCc2ccc(Oc3ccccc3)cc2)CCN1,94.58,0.026703742,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCN(C)C)cc2CC1=O,Broth microdilution,Staphylococcus aureus,
44
- 40522620,Cc1noc(C)c1NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C,MUMMUGGPDFBDAE-MTCUJEMASA-N,663.363198908,5.432040000000007,"n-[(3r,9s,10r)-9-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-methylamino]methyl]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide",44498611.0,O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)NCC[C@@H](CNC(=O)Nc1cnoc1)OCCCCCO2,146.46999999999997,0.0113633789999999,Cc1noc(C)c1NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C,Broth microdilution,Staphylococcus aureus,
45
- 41011461,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2CC1=O,SDGYLMDZYUPOHC-XNSHOJTPSA-N,609.295119348,5.796700000000004,"1-[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-9-(naphthalen-1-ylcarbamoylamino)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea",44504360.0,O=C1Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H](CNC(=O)Nc2ccccc2)CCN1,123.24,-0.0251697619999999,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2CC1=O,Broth microdilution,Staphylococcus aureus,
46
- 41529327,C=CC[C@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)NCCOC(=O)[C@H](CC=C)CC(=O)OC(C)(C)C,FMEBQXGUKZXDCB-DNQXCXABSA-N,530.299201684,3.1734000000000018,1-o-[2-[[(2r)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]amino]ethyl] 4-o-tert-butyl (2r)-2-prop-2-enylbutanedioate,44201825.0,c1ccccc1,122.24,0.0356193179999999,C=CC[C@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)NCCOC(=O)[C@H](CC=C)CC(=O)OC(C)(C)C,Broth microdilution,Staphylococcus aureus,
47
- 43096510,CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,ILKJAFIWWBXGDU-UHFFFAOYSA-N,502.23668168,3.5238000000000023,penticort,2133.0,O=C1C=CC2C(=C1)CCC1C2CCC2C1CC1OC3(CCCC3)OC12,99.13,-0.0700499999999999,CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,Broth microdilution,Staphylococcus aureus,
48
- 43716616,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1,NDCXGHFSBAYIPD-FYZNHFMZSA-N,690.346249192,5.396100000000006,"1-cyclohexyl-3-[(3s,9r,10r)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea",44497794.0,O=C(Nc1ccc2c(c1)C(=O)NCC[C@H](CNS(=O)(=O)c1ccccc1)OCCCCCO2)NC1CCCCC1,137.51000000000002,0.061958507,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1,Broth microdilution,Staphylococcus aureus,
49
- 46242811,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],VDQQXEISLMTGAB-UHFFFAOYSA-N,226.978371424,-0.78478,chloramine-t,3641960.0,c1ccccc1,48.24,0.028135,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],Broth microdilution,Staphylococcus aureus,
50
- 46593948,CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1,NWWORXYTJRPSMC-QKPAOTATSA-N,355.16310214,-0.9986999999999997,emiglitate,72004.0,c1ccc(OCCN2CCCCC2)cc1,119.69,0.0872168979999999,CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1,Broth microdilution,Staphylococcus aureus,
51
- 48216467,C[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1,HEADYOFXZPTIAZ-PXHXSQDOSA-N,752.2866836280001,6.604700000000008,"1-[[(3r,9s,10s)-16-[(4-fluorophenyl)sulfonylamino]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea",44502201.0,O=C(NC[C@@H]1CCNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OCCCCCO1)Nc1ccccc1,137.51000000000002,0.176222149,C[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1,Broth microdilution,Staphylococcus aureus,
52
- 49477120,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)OCc2ccccc2-c2ccccc2C1=O,AAENOGRDWGDRJO-GTNJKRJXSA-N,569.250141228,5.894200000000006,"1-[[(10r,11s)-13-[(2r)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea",54637757.0,O=C(NC[C@H]1CCNC(=O)c2ccccc2-c2ccccc2CO1)Nc1ccccc1,82.11,-0.160639752,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)OCc2ccccc2-c2ccccc2C1=O,Broth microdilution,Staphylococcus aureus,
53
- 49846492,C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O,QEXGJGRYUGYWJV-OREGWCPLSA-N,571.2464549040001,2.9156000000000013,"n-[[(8s,9s)-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-n-methyl-4-phenoxybenzenesulfonamide",44505157.0,O=C1CCCn2nncc2CO[C@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN1,127.09,0.0034069869999999,C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O,Broth microdilution,Staphylococcus aureus,
54
- 53456855,COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)Cn4cnnn4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1,PHFMOQBPIOSABU-GGUMNFRJSA-N,587.216217396,0.8612000000000015,"n-[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-2-(tetrazol-1-yl)acetamide",44487070.0,O=C(Cn1cnnn1)Nc1ccc2c(c1)C(=O)NCC[C@H](CNS(=O)(=O)c1ccccc1)O2,169.07999999999998,-0.1247229809999999,COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)Cn4cnnn4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1,Broth microdilution,Staphylococcus aureus,
55
- 53713010,C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1,OFNMEGUDOANJDK-OSOCVKALSA-N,575.231762088,5.864300000000006,"n-[(2r,3s)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide",44496686.0,O=C1NCC[C@H](CNCc2ccccc2)Oc2c(NC(=O)C3CCCCC3)cccc21,82.10999999999999,-0.051134148,C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1,Broth microdilution,Staphylococcus aureus,
56
- 53921757,C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1,GPKDICRTJULNLP-WGKZYHDKSA-N,710.2985500520001,5.175500000000005,"1-[(3r,9s,10s)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1,3-benzodioxol-5-yl)urea",44504481.0,O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)C(=O)NCC[C@@H](CNS(=O)(=O)c1ccccc1)OCCCCCO2,155.97,-0.005692631,C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1,Broth microdilution,Staphylococcus aureus,
57
- 54903176,C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)S(=O)(=O)c1cn(C)cn1,KARFHHZLAUZMIS-NPPFBWRTSA-N,538.191976808,2.0766999999999998,"n-[[(4s,5s)-8-(cyclopenten-1-yl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-n,1-dimethylimidazole-4-sulfonamide",54630702.0,O=S(=O)(NC[C@@H]1CCNS(=O)(=O)c2ccc(C3=CCCC3)cc2O1)c1c[nH]cn1,122.04,-0.0470962669999999,C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)S(=O)(=O)c1cn(C)cn1,Broth microdilution,Staphylococcus aureus,
58
- 56408063,CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23,QVCMHGGNRFRMAD-UHFFFAOYSA-N,325.152537456,-0.3925999999999994,"4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione",4246.0,O=C1CCCC(=O)OC2CCN3CC=C(CO1)C23,96.3,-0.0592999999999999,CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23,Broth microdilution,Staphylococcus aureus,
59
- 56742923,C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1,BEBWWVPCBIATQG-VUYBWUDLSA-N,681.3083864639999,5.113100000000005,"4-[[[(3r,9r,10r)-16-(benzenesulfonamido)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl-methylamino]methyl]benzoic acid",54615135.0,O=C1NCC[C@H](CNCc2ccccc2)OCCCCCOc2ccc(NS(=O)(=O)c3ccccc3)cc21,145.71,0.019220542,C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1,Broth microdilution,Staphylococcus aureus,
60
- 57706287,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC1=O,GZMPNTQGQGZDGI-ANSQWYIGSA-N,628.2315331119999,2.2624999999999993,"3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-9-[(1-methylimidazol-4-yl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea",44502824.0,O=C1Cc2cc(NS(=O)(=O)c3c[nH]cn3)ccc2O[C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)CCN1,164.56,0.1282505729999999,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC1=O,Broth microdilution,Staphylococcus aureus,
61
- 60275785,CSc1nc(C)nc2ccccc12,XVVUFHKVQZEEJZ-UHFFFAOYSA-N,190.05646932,2.660120000000001,2-methyl-4-(methylsulfanyl)quinazoline,11564608.0,c1ccc2ncncc2c1,25.78,-0.1245298560000001,CSc1nc(C)nc2ccccc12,Broth microdilution,Staphylococcus aureus,
62
- 60352755,C[C@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O,LPOKCFFNFOPMKO-MTXNFPGFSA-N,506.2450579359999,2.226200000000001,"n-[[(4r,5s)-8-[(3s)-3-hydroxybut-1-ynyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-n-methylcyclohexanecarboxamide",54629032.0,O=C(NC[C@@H]1CCNS(=O)(=O)c2ccccc2O1)C1CCCCC1,107.38,-0.098843653,C[C@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O,Broth microdilution,Staphylococcus aureus,
63
- 60819957,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2,LREIFXJLTBRFII-IUVSGJEMSA-N,695.389413656,5.828900000000006,"3-(1,3-benzodioxol-5-yl)-1-[[(3s,9r,10r)-16-(cyclohexylcarbamoylamino)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea",44618053.0,O=C(NC[C@H]1CCNC(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OCCCCCO1)Nc1ccc2c(c1)OCO2,150.93,0.134090948,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2,Broth microdilution,Staphylococcus aureus,
64
- 61235115,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@@H]1CN(C)S(=O)(=O)c1cccs1,XNHZQQLIHVNGMI-PBDKAQRYSA-N,622.191976808,5.086100000000004,"1-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-naphthalen-1-ylurea",134829945.0,O=C(Nc1cccc2c1O[C@H](CNS(=O)(=O)c1cccs1)CCNC2=O)Nc1cccc2ccccc12,128.28,-0.081596851,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@@H]1CN(C)S(=O)(=O)c1cccs1,Broth microdilution,Staphylococcus aureus,
65
- 62176923,C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1,ZFPBBSAAYICIOS-BSRJHKFKSA-N,625.143168044,2.4151000000000007,"n-[(2r,3s)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-1-methylimidazole-4-sulfonamide",44497588.0,O=C1NCC[C@H](CNS(=O)(=O)c2ccccc2)Oc2c(NS(=O)(=O)c3c[nH]cn3)cccc21,151.14,0.0836440349999999,C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1,Broth microdilution,Staphylococcus aureus,
66
- 62498897,C[C@@H](NC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1,WVFRUYXRTWIHMU-NBTLCYJSSA-N,582.320605824,5.6058000000000066,"1-[[(10r,11s)-13-[(2s)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-3-[(1r)-1-phenylethyl]urea",54637969.0,O=C(NCc1ccccc1)NC[C@H]1CCNC(=O)c2[nH]c3ccccc3c2-c2ccccc2CO1,87.04,-0.2167509059999999,C[C@@H](NC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1,Broth microdilution,Staphylococcus aureus,
67
- 62824852,Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NS(=O)(=O)c3c(C)noc3C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C,DWAQROZCZYCVAI-DOQJBMMISA-N,604.231533112,3.081080000000002,"3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[(2s,3r)-10-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea",44498013.0,O=C(NC[C@@H]1CCNC(=O)c2cccc(NS(=O)(=O)c3cnoc3)c2O1)Nc1cnoc1,180.34,0.1032786,Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NS(=O)(=O)c3c(C)noc3C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C,Broth microdilution,Staphylococcus aureus,
68
- 64307646,C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12,GCBYCYVRDJZEMB-UMQWNRPGSA-N,622.191976808,5.0861000000000045,"1-[[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(thiophen-2-ylsulfonylamino)-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-naphthalen-1-ylurea",44492369.0,O=C(NC[C@@H]1CCNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1)Nc1cccc2ccccc12,128.28,0.0621726129999999,C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12,Broth microdilution,Staphylococcus aureus,
69
- 64335939,CCN(CC)C(=O)N1CCN(CCC#N)CC1,WZWREWUDABZWOP-UHFFFAOYSA-N,238.17936132399998,0.9794799999999999,"4-(2-cyanoethyl)-n,n-diethylpiperazine-1-carboxamide",1712244.0,C1CNCCN1,50.580000000000005,0.1024817359999999,CCN(CC)C(=O)N1CCN(CCC#N)CC1,Broth microdilution,Staphylococcus aureus,
70
- 64983336,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,OEBPANQZQGQPHF-UHFFFAOYSA-N,405.20121896399996,0.33119999999999994,nifekalant,4486.0,O=c1cc(NCCNCCCc2ccccc2)[nH]c(=O)[nH]1,122.64,-0.152691662,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,Broth microdilution,Staphylococcus aureus,
71
- 67654534,C[C@@H]1CCCCO[C@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1,DTNITAAWUQGUSN-UTYYDOLNSA-N,701.41523448,7.253400000000008,"3-cyclohexyl-1-[[(3r,9s,10s)-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-(naphthalen-1-ylcarbamoylamino)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea",44502922.0,O=C(Nc1ccc2c(c1)C(=O)NCC[C@@H](CNC(=O)NC1CCCCC1)OCCCCCO2)Nc1cccc2ccccc12,132.47000000000003,-0.049161602,C[C@@H]1CCCCO[C@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1,Broth microdilution,Staphylococcus aureus,
72
- 69003909,C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1,XQZWFLNOSLFTQV-XMERXJNXSA-N,578.2574341879999,2.6468000000000007,"4-(dimethylamino)-n-[(2s,3r)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide",44491817.0,O=C1NCC[C@@H](CNS(=O)(=O)c2ccccc2)Oc2ccccc21,119.49,0.049270577,C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1,Broth microdilution,Staphylococcus aureus,
73
- 71557608,COCC(=O)N(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C,QYWLPXAUJWIZSG-DCLXLUIPSA-N,500.1981077439999,1.9598000000000002,"n-[[(4s,5s)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-2-methoxy-n-methylacetamide",54623826.0,O=S1(=O)NCCCOc2cc(C#Cc3ccccc3)ccc21,96.38,-0.055134905,COCC(=O)N(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C,Broth microdilution,Staphylococcus aureus,
74
- 74045358,C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1,SBCSAGYIHFXSSQ-SYZUXVNWSA-N,643.232776912,5.542700000000006,"n-[[(10r,11s)-13-[(2s)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-n-methyl-4-(trifluoromethyl)benzenesulfonamide",60185765.0,O=C1NCC[C@H](CNS(=O)(=O)c2ccccc2)OCc2ccccc2-c2c1[nH]c1ccccc21,92.08,-0.129803581,C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1,Broth microdilution,Staphylococcus aureus,
75
- 74313427,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O,RJURFGZVJUQBHK-IIXSONLDSA-N,1254.6284746719996,0.7256400000000032,dactinomycin,457193.0,O=C1CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](NC(=O)c2cc(=O)cc3oc4cccc(C(=O)N[C@H]5COC(=O)CNC(=O)CNC(=O)[C@@H]6CCCN6C(=O)CNC5=O)c4nc2-3)COC(=O)CN1,359.98,0.684174592,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O,Broth microdilution,Staphylococcus aureus,
76
- 74454503,Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O,RQWZPZKMXFSKNS-YYULODDRSA-N,603.2668539120001,5.306340000000006,"1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]urea",44489645.0,O=C(Nc1cnoc1)Nc1cccc2c1O[C@H](CNCc1ccccc1)CCNC2=O,120.17,-0.1544092429999999,Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O,Broth microdilution,Staphylococcus aureus,
77
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roth microdilution,Staphylococcus aureus,
78
- 75185592,NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(N)=O)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(OCCO)cc1,ASDRMLMJHADUBN-SCYMSESXSA-N,685.2536484599999,2.833800000000002,"(3r,3'r,4's,6'r,8's,8'as)-5-[3-(carbamoylamino)prop-1-ynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenylspiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide",6729397.0,O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1C[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccccc1,186.31,0.169259143,NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(N)=O)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(OCCO)cc1,Broth microdilution,Staphylococcus aureus,
79
- 75389474,C[C@@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1,CAYVERVTSCJBAC-INVAMZEASA-N,691.2709554,3.337100000000002,"n-[[(3r,9r,10s)-16-(benzenesulfonamido)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n,1-dimethylimidazole-4-sulfonamide",44616963.0,O=C1NCC[C@H](CNS(=O)(=O)c2c[nH]cn2)OCCCCCOc2ccc(NS(=O)(=O)c3ccccc3)cc21,160.37,-0.114489442,C[C@@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1,Broth microdilution,Staphylococcus aureus,
80
- 79461195,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C,VWWQXMAJTJZDQX-UYBVJOGSSA-N,785.1571346159997,-2.4239599999999966,flavin adenine dinucleotide,643975.0,O=c1nc2n(CCCCCO[PH](=O)O[PH](=O)OC[C@@H]3CC[C@H](n4cnc5cncnc54)O3)c3ccccc3nc-2c(=O)[nH]1,362.9299999999999,0.0165893219999999,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C,Broth microdilution,Staphylococcus aureus,
81
- 83315978,Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1,KMGHCLOSSHMOFS-ZDUSSCGKSA-N,450.12092004399994,-0.1825799999999993,"(3s)-n-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide",92441303.0,O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1,150.65999999999997,-0.016207225,Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1,Broth microdilution,Staphylococcus aureus,
82
- 84315577,COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1,FIZSQJUFYUFNOD-DOKVQHETSA-N,696.319285496,5.455400000000005,"1-[(3r,9r,10s)-12-[(2r)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea",44502759.0,O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)NCC[C@H](CNS(=O)(=O)c1ccccc1)OCCCCCO2,146.74,0.233480542,COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1,Broth microdilution,Staphylococcus aureus,
83
- 85840241,CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@H](C)CO)C[C@H]1C,IKHNOPCXKIAMPI-DVAKJLRASA-N,593.3247052239999,3.358200000000002,"n-[(3r,9s,10r)-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide",54614960.0,O=C1NCCCOCCCCCOc2ccc(NS(=O)(=O)c3c[nH]cn3)cc21,126.23,-0.0538620869999999,CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@H](C)CO)C[C@H]1C,Broth microdilution,Staphylococcus aureus,
84
- 86318012,C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1F,FMAAXSCNYRSPNB-WOVHNISZSA-N,517.241055852,2.639400000000001,"(2s)-2-[(4s,5r)-8-[3-(dimethylamino)prop-1-ynyl]-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol",54626146.0,O=S1(=O)NCC[C@H](CNCc2ccccc2)Oc2ccccc21,73.32,-0.083324634,C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1F,Broth microdilution,Staphylococcus aureus,
85
- 87486743,Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O,ADAXDGSKYRGXEL-NOMHHCBYSA-N,605.2171268480001,5.613320000000007,"1-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3h-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea",54631005.0,O=C(NC[C@@H]1CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2O1)Nc1ccccc1,99.18,-0.081827643,Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O,Broth microdilution,Staphylococcus aureus,
86
- 87590242,COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,ZHUOOEGSSFNTNP-UHFFFAOYSA-N,406.30830982399993,4.566300000000005,"methyl 3,12-dihydroxycholan-24-oate",95608.0,C1CCC2C(C1)CCC1C3CCCC3CCC21,66.76,0.3269849999999999,COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,Broth microdilution,Staphylococcus aureus,
87
- 87797421,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1,MCLYKCAHKFGNAQ-MJQNYGCISA-N,728.3396845039999,6.9751000000000065,"4-[[[(3s,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl-methylamino]methyl]benzoic acid",44616850.0,O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)NCC[C@@H](CNCc1ccccc1)OCCCCCO2,140.67000000000002,-0.7573609349999999,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1,Broth microdilution,Staphylococcus aureus,
88
- 88182507,CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccccc4C)cc3C(=O)N2C)O1,QLGZFZUBHHPYSN-XKCSPQBFSA-N,515.2090067759999,3.092720000000001,"2-[(2s,4ar,12as)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-propylacetamide",54655294.0,O=C1N[C@@H]2CCCO[C@@H]2COc2ccc(NS(=O)(=O)c3ccccc3)cc21,114.04,0.0234291709999999,CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccccc4C)cc3C(=O)N2C)O1,Broth microdilution,Staphylococcus aureus,
89
- 88327937,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@@H]1CN(C)Cc1ccncc1,AIDNMMLWUKBAII-SELNLUPBSA-N,544.1814121240001,3.296000000000002,"n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]thiophene-2-sulfonamide",44499383.0,O=C1NCC[C@@H](CNCc2ccncc2)Oc2c(NS(=O)(=O)c3cccs3)cccc21,112.07,-0.065105452,C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@@H]1CN(C)Cc1ccncc1,Broth microdilution,Staphylococcus aureus,
90
- 90589766,O=P(/N=C1/CC(CCCO)=C[C@@H](C2CC2)N1Cc1cccc(OC(F)(F)F)c1)(Oc1ccccc1)Oc1ccccc1,NGQWJSWNKYCNNZ-LJAQVGFWSA-N,600.2000934139999,7.933000000000008,,,O=P(/N=C1/CC=C[C@@H](C2CC2)N1Cc1ccccc1)(Oc1ccccc1)Oc1ccccc1,80.59,0.874893326,O=P(/N=C1/CC(CCCO)=C[C@@H](C2CC2)N1Cc1cccc(OC(F)(F)F)c1)(Oc1ccccc1)Oc1ccccc1,Broth microdilution,Staphylococcus aureus,
91
- 90625532,CN(C)CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(C)(=O)=O)cc3C(=O)N2C)O1,CDAYNQARGBNMSE-POAQFYNOSA-N,482.2199058079999,0.8967000000000025,"2-[(2r,4ar,12ar)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[3-(dimethylamino)propyl]acetamide",54654061.0,O=C1N[C@@H]2CCCO[C@H]2COc2ccccc21,117.28000000000002,-0.0207640909999999,CN(C)CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(C)(=O)=O)cc3C(=O)N2C)O1,Broth microdilution,Staphylococcus aureus,
92
- 90672563,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,PBMSWVPMRUJMPE-UHFFFAOYSA-N,403.02966251600003,2.894400000000001,phthalylsulfathiazole,4806.0,O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1,125.46,0.0937654199999999,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,Broth microdilution,Staphylococcus aureus,
93
- 93349273,O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc2c(c1)OCO2,UEBBFDAUYMCGAV-YXHPPAGXSA-N,531.2005502679999,2.6924,"2-[(1r,3r,4ar,9as)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-(1,3-benzodioxol-5-ylmethyl)acetamide",54646806.0,O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2CO1)NCc1ccc2c(c1)OCO2,128.24,0.2105935749999999,O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc2c(c1)OCO2,Broth microdilution,Staphylococcus aureus,
94
- 94599937,C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1,VZQKOZAJNGTVKC-OJAHFUOMSA-N,419.24202115599996,0.6108000000000029,"2-[(2r,5s,6s)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-n-[(1s)-1-phenylethyl]acetamide",54639698.0,O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)CO1)NCc1ccccc1,100.13,-0.0191155359999999,C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1,Broth microdilution,Staphylococcus aureus,
95
- 95610768,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O,VOMUYBKWHUZOKW-ZQLNOWDWSA-N,663.266853912,6.886600000000007,"1-[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-10-(naphthalen-1-ylcarbamoylamino)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea",44495827.0,O=C(NC[C@H]1CCNC(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O1)Nc1ccccc1,123.24,0.389564755,C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O,Broth microdilution,Staphylococcus aureus,
96
- 95836617,COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1,DXJUBZMXEIHBEQ-CJHQFYJISA-N,690.36286456,5.995400000000007,"1-(1,3-benzodioxol-5-yl)-3-[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea",44618559.0,O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)C(=O)NCC[C@H](CNCc1ccccc1)OCCCCCO2,131.06,0.008802321,COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1,Broth microdilution,Staphylococcus aureus,
97
- 96024786,C[C@H]1CCCCO[C@@H](CN(C)C(=O)C2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1,KYEITDZJNROELE-UITIVDIESA-N,641.36517098,5.801800000000007,"n-[[(3s,9r,10s)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(4,4,4-trifluorobutanoylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n-methylcyclohexanecarboxamide",44617356.0,O=C1NCC[C@H](CNC(=O)C2CCCCC2)OCCCCCOc2ccccc21,108.41000000000004,-0.0666738849999999,C[C@H]1CCCCO[C@@H](CN(C)C(=O)C2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1,Broth microdilution,Staphylococcus aureus,
98
- 96320656,CO[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(Cl)cc1,ZQAIRSWGSLNDJM-HYFFOGBASA-N,552.0922340400001,3.336700000000002,"3-chloro-n-[(2s,3r)-4-[(4-chlorophenyl)sulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methylbenzenesulfonamide",54649319.0,O=S(=O)(NCCCCNS(=O)(=O)c1ccccc1)c1ccccc1,104.22,0.072920336,CO[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(Cl)cc1,Broth microdilution,Staphylococcus aureus,
99
- 96539702,Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2,SUHQAMSFJCSMJM-UYPAYLBCSA-N,603.266853912,5.306340000000005,"1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]urea",54613914.0,O=C(Nc1cnoc1)Nc1ccc2c(c1)C(=O)NCC[C@@H](CNCc1ccccc1)O2,120.17,-0.3542997409999999,Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2,Broth microdilution,Staphylococcus aureus,
100
- 98577839,COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCOC(=O)NCCCCCC(=O)NO)O[C@@]3(C(=O)N(Cc4ccccc4)c4ccc(NC(=O)[C@@H](C)OC(=O)NCCCCCC(=O)NO)cc43)[C@H]2C)cc1,VFSNCENUEVUVPQ-IIVFFIDGSA-N,932.435148018,5.759100000000006,,,O=C1N(Cc2ccccc2)c2ccccc2[C@@]12C[C@H]([SiH2]c1ccccc1)CO2,243.19,0.0427069049999999,COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCOC(=O)NCCCCCC(=O)NO)O[C@@]3(C(=O)N(Cc4ccccc4)c4ccc(NC(=O)[C@@H](C)OC(=O)NCCCCCC(=O)NO)cc43)[C@H]2C)cc1,Broth microdilution,Staphylococcus aureus,
101
- 99085500,COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccccc3OCCO)[C@@]13C(=O)Nc1ccc(C#CC4(O)CCCCCC4)cc13)CC2,NPHYJLDMGDCBES-ICNSUHQASA-N,901.39383034,7.36760000000001,"(3r,3'r,4's,6'r,8's,8'as)-8'-(6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carbonyl)-5-[2-(1-hydroxycycloheptyl)ethynyl]-6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenylspiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione",6729610.0,O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@]1(C(=O)Nc3ccc(C#CC4CCCCCC4)cc31)[C@H]2c1ccccc1,147.1,-0.2346279710000001,COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccccc3OCCO)[C@@]13C(=O)Nc1ccc(C#CC4(O)CCCCCC4)cc13)CC2,Broth microdilution,Staphylococcus aureus,
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
cache/df-load/902abd7f7155df13.csv DELETED
@@ -1,6 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 81021875,murepavadin,91824766,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC1=O,RIDRXGOBXZLKHZ-NZUANIILSA-N,1552.8626655039996,-6.830399999999926,Escherichia coli,Broth microdilution,
3
- 40634032,"(2r)-2-((4-(((3,4-dihydro-2h-pyrano(2,3-c)pyridin-6-yl)methyl)amino)-1-piperidinyl)methyl)-1,2-dihydro-3h,8h-2a,5,8a-triazaacenaphthylene-3,8-dione",25101874,O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1,PZFAZQUREQIODZ-LJQANCHMSA-N,448.222288756,1.0870999999999995,Escherichia coli,Broth microdilution,
4
- 60220333,zosurabalpin,148636827,CN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN)NCc2cccnc2Sc2cccc(-c3ccc(C(=O)O)cc3)c2CNC(=O)[C@@H]1Cc1c[nH]c2ccccc12,NJFUXFYUHIHHOJ-FSEITFBQSA-N,790.3624877000001,4.589700000000004,Escherichia coli,Broth microdilution,
5
- 56471460,plazomicin,42613186,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O,IYDYFVUFSPQPPV-PEXOCOHZSA-N,592.3431917360001,-5.361100000000008,Escherichia coli,Broth microdilution,
6
- 35182689,"methyl 7-chloro-6,7,8-trideoxy-6-{[(4s,5as,8s,8ar)-4-(2-methylpropyl)octahydro-2h-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-l-threo-alpha-d-galacto-octopyranoside",156613433,CS[C@H]1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]3C[C@H](CC(C)C)CCO[C@H]32)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O,JPCLUJPDWMBCAA-SUTQZAMLSA-N,494.22173564800005,0.6984000000000015,Escherichia coli,Broth microdilution,
 
 
 
 
 
 
 
cache/df-load/bb51a90bb1094256.csv DELETED
@@ -1,101 +0,0 @@
1
- id,smiles,inchikey,mwt,clogp,pubchem_name,pubchem_id,scaffold,tpsa,normalized_inhibition,SMILES,mic_method,full_strain_name,pmic
2
- 10022076,CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,YPHMISFOHDHNIV-UHFFFAOYSA-N,281.162708216,1.0415,"4-(2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)-2,6-piperidinedione",2900.0,O=C1CC(CCC2CCCCC2=O)CC(=O)N1,83.47,0.793965,CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,Broth microdilution,Escherichia coli,
3
- 10033206,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,JYJTVFIEFKZWCJ-UHFFFAOYSA-N,360.148535372,2.3071,nadifloxacin,4410.0,O=c1ccn2c3c(c(N4CCCCC4)ccc13)CCC2,82.77000000000001,0.9516185,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,Broth microdilution,Escherichia coli,
4
- 10172814,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,MFYSYFVPBJMHGN-UHFFFAOYSA-N,360.1936739959999,1.9898000000000002,cortisone-[2h7],521440.0,O=C1C=C2CCC3C4CCCC4CC(=O)C3C2CC1,91.67,-0.02705,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,Broth microdilution,Escherichia coli,
5
- 10213451,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,ZAFYATHCZYHLPB-UHFFFAOYSA-N,307.168462292,3.2488400000000013,zolpidem,5732.0,c1ccc(-c2cn3ccccc3n2)cc1,37.61000000000001,0.1643949999999999,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,Broth microdilution,Escherichia coli,
6
- 10236515,Cc1cc(=O)oc2cc(O)ccc12,HSHNITRMYYLLCV-UHFFFAOYSA-N,176.047344116,1.8070199999999998,4-methylumbelliferone,5280567.0,O=c1ccc2ccccc2o1,50.44,0.099755,Cc1cc(=O)oc2cc(O)ccc12,Broth microdilution,Escherichia coli,
7
- 10290301,CCc1cc(C(N)=S)ccn1,AEOCXXJPGCBFJA-UHFFFAOYSA-N,166.05646932,1.2782,ethionamide,2761171.0,c1ccncc1,38.91,0.0200799999999999,CCc1cc(C(N)=S)ccn1,Broth microdilution,Escherichia coli,
8
- 10328898,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,JXBBWYGMTNAYNM-UHFFFAOYSA-N,402.24379142000004,5.252000000000007,n-benzyl-n-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydron;chloride,44140621.0,c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1,15.71,-0.0050499999999999,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,Broth microdilution,Escherichia coli,
9
- 10464395,Cc1cn[nH]c1,RIKMMFOAQPJVMX-UHFFFAOYSA-N,82.053098192,0.7181199999999999,4-methylpyrazole,3406.0,c1cn[nH]c1,28.68,-0.03255,Cc1cn[nH]c1,Broth microdilution,Escherichia coli,
10
- 10758343,CC=CC(=O)N(CC)c1ccccc1C,DNTGGZPQPQTDQF-UHFFFAOYSA-N,203.131014164,2.9240200000000014,crotamiton,2883.0,c1ccccc1,20.31,-0.050335,CC=CC(=O)N(CC)c1ccccc1C,Broth microdilution,Escherichia coli,
11
- 10764059,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,WIIZWVCIJKGZOK-UHFFFAOYSA-N,322.01232684400003,0.9089999999999998,"2,2-dichloro-n-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)acetamide",298.0,c1ccccc1,112.70000000000002,0.9571795,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,Broth microdilution,Escherichia coli,
12
- 10859329,O=C(CNC(=O)c1ccc(Cl)cc1)NO,JFZGBMJPJZDNNT-UHFFFAOYSA-N,228.030169828,0.5751999999999999,benurestat,38000.0,c1ccccc1,78.43,0.02009,O=C(CNC(=O)c1ccc(Cl)cc1)NO,Broth microdilution,Escherichia coli,
13
- 10914236,COc1c2ccoc2cc2oc(=O)ccc12,BGEBZHIAGXMEMV-UHFFFAOYSA-N,216.042258736,2.5478000000000005,bergapten,2355.0,O=c1ccc2cc3ccoc3cc2o1,52.580000000000005,-0.1147,COc1c2ccoc2cc2oc(=O)ccc12,Broth microdilution,Escherichia coli,
14
- 10962854,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,QFRUZVNPYYYLAN-UHFFFAOYSA-N,472.2461034919999,4.354100000000003,"methyl 2-[13-(furan-3-yl)-5-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate",3685255.0,C=C1C2CCC3C(c4ccoc4)OC(=O)CC13OC1CCCCC12,95.2,-0.0272749999999999,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,Broth microdilution,Escherichia coli,
15
- 10993587,CC=Cc1ccc(OC)cc1,RUVINXPYWBROJD-UHFFFAOYSA-N,148.088815004,2.728300000000001,1-methoxy-4-prop-1-enylbenzene,7703.0,c1ccccc1,9.23,-0.09355,CC=Cc1ccc(OC)cc1,Broth microdilution,Escherichia coli,
16
- 11398298,O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,RGCKGOZRHPZPFP-UHFFFAOYSA-N,240.042258736,1.8732000000000006,alizarin,6293.0,O=C1c2ccccc2C(=O)c2ccccc21,74.60000000000001,-0.1427,O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,Broth microdilution,Escherichia coli,
17
- 11572210,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O,FPZLLRFZJZRHSY-UHFFFAOYSA-N,585.2798632079999,0.5132000000000028,,,O=C1C2=CC3C(=O)C=CCC3CC2Cc2ccccc21,205.76,-0.05525,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O,Broth microdilution,Escherichia coli,
18
- 12321117,C=CCc1cc(OC)c2c(c1OC)OCO2,QQRSPHJOOXUALR-UHFFFAOYSA-N,222.089208928,2.1609999999999996,apiole,10659.0,c1ccc2c(c1)OCO2,36.92,0.01026,C=CCc1cc(OC)c2c(c1OC)OCO2,Broth microdilution,Escherichia coli,
19
- 13720081,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,OHXPGWPVLFPUSM-UHFFFAOYSA-N,402.24062418799997,4.073300000000003,"3,7,12-trioxocholan-24-oic acid",2975.0,O=C1CCC2C(C1)CC(=O)C1C3CCCC3C(=O)CC21,88.50999999999999,-0.07,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,Broth microdilution,Escherichia coli,
20
- 14211124,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,PPKXEPBICJTCRU-UHFFFAOYSA-N,299.16520675199996,3.0564000000000022,[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-dimethylazanium chloride,45371471.0,c1ccc(C2CCCCC2)cc1,32.7,-0.0255449999999999,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,Broth microdilution,Escherichia coli,
21
- 16857926,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,FWLKKPKZQYVAFR-UHFFFAOYSA-N,534.2325786679999,1.6383000000000016,kb 2413; kg 2413; ly 188695; rapimine,441330.0,c1ccc2[nH]c(N3CCCNCC3)nc2c1,182.73,-0.1071999999999999,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,Broth microdilution,Escherichia coli,
22
- 19666438,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,QGXBDMJGAMFCBF-UHFFFAOYSA-N,290.2245802,3.959100000000003,3-epiandrosterone,225.0,O=C1CCC2C1CCC1C3CCCCC3CCC21,37.3,-0.0165999999999999,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,Broth microdilution,Escherichia coli,
23
- 22938689,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,UPUDVKWQBVIKBG-UHFFFAOYSA-N,431.18633611999996,5.842200000000006,"1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;hydron;chloride",118797690.0,c1ccc(Cc2nccc3ccccc23)cc1,49.81,0.238885,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,Broth microdilution,Escherichia coli,
24
- 25715442,CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,UIUKQADPLSFRBN-UHFFFAOYSA-N,456.21480336399986,3.201100000000002,"1-(3-furyl)-5-hydroxy-4b,7,7,9b,11a-pentamethyldodecahydrooxireno[2,3-d]oxireno[2',3':7,8]naphtho[2,1-f]isochromene-3,8(3ah,4bh)-dione",628811.0,O=C1CC2CCC3C(CCC4C(c5ccoc5)OC(=O)C5OC543)C2C2OC12,101.8,-0.10545,CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,Broth microdilution,Escherichia coli,
25
- 26454321,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,OFPXSFXSNFPTHF-UHFFFAOYSA-N,293.10519334,4.025800000000003,oxaprozin,4614.0,c1ccc(-c2ncoc2-c2ccccc2)cc1,63.33,-0.1588499999999999,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,Broth microdilution,Escherichia coli,
26
- 27311553,COC(=O)CC1C(C)(C)C(=O)C2CC3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,SWTDXMBCOHIACK-UHFFFAOYSA-N,468.214803364,4.2199000000000035,"7,11-methano-2h-cycloocta[f][2]benzopyran-8-aceticacid,4-(3-furanyl)-4,4a,5,6,6a,7,8,9,10,11,12,12a-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-,methyl ester, (4r,4ar,7s,8s,11s)-",5194782.0,O=C1C=C2C(CCC3C4CCC(=O)C(CC23)C4=O)C(c2ccoc2)O1,99.88,-0.0747500000000001,COC(=O)CC1C(C)(C)C(=O)C2CC3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,Broth microdilution,Escherichia coli,
27
- 29079421,Cc1cc(O)c(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)cn1,PWAUCHMQEXVFJR-UHFFFAOYSA-N,612.1209371080001,0.3267200000000013,cefpiramide acid; cefpiramide,2642.0,O=C(NC(C(=O)NC1C(=O)N2C=C(CSc3nnn[nH]3)CSC12)c1ccccc1)c1cccnc1,212.76,0.958428,Cc1cc(O)c(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)cn1,Broth microdilution,Escherichia coli,
28
- 30143097,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CSC12)c1csc(N)n1.[Na+],AZZMGZXNTDTSME-UHFFFAOYSA-M,477.0388841320001,-4.953199999999996,"sodium (6r,7r)-3-[(acetyloxy)methyl]-7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",44134618.0,N=C(C(=O)NC1C(=O)N2C=CCSC12)c1cscn1,176.34000000000003,0.9571815,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CSC12)c1csc(N)n1.[Na+],Broth microdilution,Escherichia coli,
29
- 30536183,CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,GDLBFKVLRPITMI-UHFFFAOYSA-N,229.991676144,1.6818,diazoxide,3019.0,O=S1(=O)NC=Nc2ccccc21,58.53,-0.03285,CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,Broth microdilution,Escherichia coli,
30
- 32753893,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,AAASNKNLMQBKFV-UHFFFAOYSA-N,358.105252916,3.200000000000001,"quercetin 5,7,3',4'-tetramethyl ether",97142.0,O=c1cc(-c2ccccc2)oc2ccccc12,87.36000000000001,0.06842,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,Broth microdilution,Escherichia coli,
31
- 34096931,CC(=O)Nc1cccc(O)c1,QLNWXBAGRTUKKI-UHFFFAOYSA-N,151.063328528,1.3505999999999998,3-hydroxyacetanilide,12124.0,c1ccccc1,49.33,-0.0818000000000001,CC(=O)Nc1cccc(O)c1,Broth microdilution,Escherichia coli,
32
- 34481213,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I,XQFRJNBWHJMXHO-UHFFFAOYSA-N,353.97126945200006,-1.2181000000000002,"1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-iodo-1h-pyrimidine-2,4-dione",3687.0,O=c1ccn(C2CCCO2)c(=O)[nH]1,104.55,-0.0587999999999999,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I,Broth microdilution,Escherichia coli,
33
- 35214314,Oc1ccc(O)cc1,QIGBRXMKCJKVMJ-UHFFFAOYSA-N,110.036779432,1.0977999999999999,hydroquinone,785.0,c1ccccc1,40.46,-0.1403499999999999,Oc1ccc(O)cc1,Broth microdilution,Escherichia coli,
34
- 35790632,Cl.NC12CC3CC(CC(C3)C1)C2,WOLHOYHSEKDWQH-UHFFFAOYSA-N,187.112777256,2.3357,adamantan-1-amine;hydron;chloride,19031614.0,C1C2CC3CC1CC(C2)C3,26.02,-0.11775,Cl.NC12CC3CC(CC(C3)C1)C2,Broth microdilution,Escherichia coli,
35
- 35886842,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132,BFUCTROUWLSVBH-UHFFFAOYSA-N,468.21480336399986,4.338300000000004,"methyl 2-[2-[4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1ah-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate",4425075.0,C=C1C(C2C=CC(=O)CC2)CCC2C(c3ccoc3)OC(=O)C3OC132,95.34,-0.06915,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132,Broth microdilution,Escherichia coli,
36
- 35947982,Cc1cn[nH]c1.Cl,PUCXJHNDMYZOHG-UHFFFAOYSA-N,118.02977590399999,1.1399199999999998,4-methyl-1h-pyrazol-2-ium chloride,163355434.0,c1cn[nH]c1,28.68,-0.00834,Cc1cn[nH]c1.Cl,Broth microdilution,Escherichia coli,
37
- 37378412,CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C.Cl,IWVTXAGTHUECPN-UHFFFAOYSA-N,501.133648916,1.717600000000001,"1-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride",6419451.0,O=C(Cc1ccccc1)NC1C(=O)N2CCSC12,137.26000000000002,0.948869,CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C.Cl,Broth microdilution,Escherichia coli,
38
- 37644530,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,OGJPXUAPXNRGGI-UHFFFAOYSA-N,319.133219656,1.2683,cid 6919051,6919051.0,O=c1cc[nH]c2cc(N3CCNCC3)ccc12,74.57000000000001,0.9543985,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,Broth microdilution,Escherichia coli,
39
- 38177867,CC1(C)C(=O)C=CC2(C)C1C=CC1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC312,ZXHLDNILIVGKPC-UHFFFAOYSA-N,422.2093240599999,4.795100000000004,"7-(3-furyl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadeca-13,18-diene-5,15-dione",4376929.0,O=C1C=CC2C(C=CC3C2CCC2C(c4ccoc4)OC(=O)C4OC432)C1,69.03999999999999,-0.159,CC1(C)C(=O)C=CC2(C)C1C=CC1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC312,Broth microdilution,Escherichia coli,
40
- 39862400,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,PCHPORCSPXIHLZ-UHFFFAOYSA-N,291.138992004,3.776000000000004,"2-(diphenylmethoxy)-n,n-dimethylethanaminium chloride",43833360.0,c1ccc(Cc2ccccc2)cc1,12.47,-0.1230500000000001,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,Broth microdilution,Escherichia coli,
41
- 40282268,O=c1c(O)cccc2cc(O)c(O)c(O)c12,WDGFFVCWBZVLCE-UHFFFAOYSA-N,220.037173356,1.0223999999999998,purpurogallin,135403797.0,O=c1ccccc2ccccc12,97.99,0.0968449999999999,O=c1c(O)cccc2cc(O)c(O)c(O)c12,Broth microdilution,Escherichia coli,
42
- 41261402,Cl.Cl.Cl.NCCCCNCCCN,LCNBIHVSOPXFMR-UHFFFAOYSA-N,253.08793074399998,0.9291,"n'-(3-aminopropyl)butane-1,4-diamine;hydron;trichloride",74764047.0,,64.07,0.0681749999999999,Cl.Cl.Cl.NCCCCNCCCN,Broth microdilution,Escherichia coli,
43
- 43407199,CCCCCC1C(=O)CCC1CC(=O)OC,KVWWIYGFBYDJQC-UHFFFAOYSA-N,226.156894564,2.725100000000001,hedione,102861.0,O=C1CCCC1,43.370000000000005,-0.1859999999999999,CCCCCC1C(=O)CCC1CC(=O)OC,Broth microdilution,Escherichia coli,
44
- 43738261,S=c1[nH]cnc2nc[nH]c12,GLVAUDGFNGKCSF-UHFFFAOYSA-N,152.015667128,1.0154899999999998,6-mercaptopurine,667490.0,S=c1[nH]cnc2nc[nH]c12,57.36,0.17776,S=c1[nH]cnc2nc[nH]c12,Broth microdilution,Escherichia coli,
45
- 44091864,CC1=NN(c2ccccc2)C(=O)C1,QELUYTUMUWHWMC-UHFFFAOYSA-N,174.07931294,1.7992,mci-186,4021.0,O=C1CC=NN1c1ccccc1,32.67,0.07121,CC1=NN(c2ccccc2)C(=O)C1,Broth microdilution,Escherichia coli,
46
- 44748513,COc1cc(C=O)ccc1O,MWOOGOJBHIARFG-UHFFFAOYSA-N,152.047344116,1.2132999999999998,vanillin,1183.0,c1ccccc1,46.53,0.017795,COc1cc(C=O)ccc1O,Broth microdilution,Escherichia coli,
47
- 44861161,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,HVRLZEKDTUEKQH-UHFFFAOYSA-N,373.14447130799994,4.011300000000004,2-[11-[3-(dimethylamino)propylidene]-6h-benzo[c][1]benzoxepin-2-yl]acetic acid;hydron;chloride,77279565.0,C=C1c2ccccc2COc2ccccc21,49.77,0.955827,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,Broth microdilution,Escherichia coli,
48
- 45531154,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,IAFBOKYTDSDNHV-UHFFFAOYSA-N,284.104858992,3.410300000000002,"5,7-dimethoxyflavanone",378567.0,O=C1CC(c2ccccc2)Oc2ccccc21,44.760000000000005,0.1884,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,Broth microdilution,Escherichia coli,
49
- 45659966,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,VGLGVJVUHYTIIU-UHFFFAOYSA-N,382.983496608,0.9365000000000001,althiazide,2122.0,O=S1(=O)NCNc2ccccc21,118.36,-0.0839499999999999,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,Broth microdilution,Escherichia coli,
50
- 47057150,Nc1nc(=O)n(C2CSC(CO)O2)cc1F,XQSPYNMVSIKCOC-UHFFFAOYSA-N,247.0426904,-0.4550000000000003,racivir,9837769.0,O=c1ncccn1C1CSCO1,90.37,-0.0636499999999999,Nc1nc(=O)n(C2CSC(CO)O2)cc1F,Broth microdilution,Escherichia coli,
51
- 49143709,CC(C)C(N)C(=O)O,KZSNJWFQEVHDMF-UHFFFAOYSA-N,117.078978592,0.05430000000000007,2-azaniumyl-3-methylbutanoate,5237032.0,,63.32000000000001,0.0517499999999999,CC(C)C(N)C(=O)O,Broth microdilution,Escherichia coli,
52
- 50692549,CC(N)CCCC(C)(C)O.Cl,JZNBMCOSOXIZJB-UHFFFAOYSA-N,181.12334194,1.6966,6-amino-2-methylheptan-2-ol;hydron;chloride,74764362.0,,46.25,-0.0402499999999999,CC(N)CCCC(C)(C)O.Cl,Broth microdilution,Escherichia coli,
53
- 53029295,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,SSOXZAQUVINQSA-UHFFFAOYSA-N,356.17360724799994,2.877,but-2-enedioate;dimethyl-(3-phenyl-3-pyridin-1-ium-2-yl-propyl)ammonium,443885.0,c1ccc(Cc2ccccn2)cc1,90.73,0.0339249999999999,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,Broth microdilution,Escherichia coli,
54
- 54378811,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,FYVQSXRFGAIFQK-UHFFFAOYSA-N,420.1572884879999,5.159000000000005,isopomiferin,20055152.0,O=c1c(-c2ccccc2)coc2c3c(c4c(c12)OCCC4)OCC=C3,89.13000000000001,0.0185899999999999,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,Broth microdilution,Escherichia coli,
55
- 58195732,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,NHDHVHZZCFYRSB-UHFFFAOYSA-N,321.136493468,4.720200000000004,pyriproxyfen,91753.0,c1ccc(Oc2ccc(OCCOc3ccccn3)cc2)cc1,40.58,0.0277699999999999,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,Broth microdilution,Escherichia coli,
56
- 58930282,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,SEEPANYCNGTZFQ-UHFFFAOYSA-N,250.05244656,0.8596000000000001,sulfadiazine,5215.0,O=S(=O)(Nc1ncccn1)c1ccccc1,97.97,-0.0853999999999999,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,Broth microdilution,Escherichia coli,
57
- 60376332,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,SBPBAQFWLVIOKP-UHFFFAOYSA-N,348.926283882,4.718100000000002,chlorpyrifos,2730.0,c1ccncc1,40.58,-0.0584,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,Broth microdilution,Escherichia coli,
58
- 60807654,CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl,JHGSLSLUFMZUMK-UHFFFAOYSA-N,337.144471308,3.163900000000002,ractopamine hydrochloride,14010333.0,c1ccc(CCCNCCc2ccccc2)cc1,72.72,-0.0725,CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl,Broth microdilution,Escherichia coli,
59
- 62184198,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,BLGXFZZNTVWLAY-UHFFFAOYSA-N,354.194342692,2.647100000000001,amberlite cg 400,2866.0,c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3,65.56,-0.0048999999999999,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,Broth microdilution,Escherichia coli,
60
- 62621066,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,BFCDFTHTSVTWOG-UHFFFAOYSA-N,337.24393574000004,5.559100000000006,4-((1-methylethyl)thio)-alpha-(1-(octylamino)ethyl)benzenemethanol,5354.0,c1ccccc1,32.26,0.566095,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,Broth microdilution,Escherichia coli,
61
- 63334115,CN1C(=O)OC(C)(C)C1=O,IRYJRGCIQBGHIV-UHFFFAOYSA-N,143.058243148,0.37359999999999993,trimethadione,5576.0,O=C1COC(=O)N1,46.61,0.0855099999999999,CN1C(=O)OC(C)(C)C1=O,Broth microdilution,Escherichia coli,
62
- 63833183,CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccsc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],ZBBCUBMBMZNEME-UHFFFAOYSA-L,428.008866728,-8.11340000000001,"disodium;6-[[2-carboxylato-2-(3-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",101674990.0,O=C(Cc1ccsc1)NC1C(=O)N2CCSC12,129.67000000000002,-0.1487,CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccsc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],Broth microdilution,Escherichia coli,
63
- 64292186,COc1c2ccccc2nc2occc12,WIONIXOBNMDJFJ-UHFFFAOYSA-N,199.063328528,2.989600000000001,dictamnine,68085.0,c1ccc2nc3occc3cc2c1,35.260000000000005,0.30267,COc1c2ccccc2nc2occc12,Broth microdilution,Escherichia coli,
64
- 65925565,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CSC12)c1csc(N)n1.O.O.O.[Na+].[Na+],XMCDZRXQAGFWAK-UHFFFAOYSA-L,652.0416404640004,-11.631800000000005,,,N=C(C(=O)NC1C(=O)N2C=C(CSc3nc(=O)cn[nH]3)CSC12)c1cscn1,315.38000000000005,0.9506255,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CSC12)c1csc(N)n1.O.O.O.[Na+].[Na+],Broth microdilution,Escherichia coli,
65
- 66514940,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],LYZGJWXNOGIVQA-UHFFFAOYSA-M,276.090843064,-1.4515999999999971,"4,6-(1h,5h)-pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-, monosodium salt",91980486.0,O=C1CC(=O)NC=N1,58.53,-0.0337,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],Broth microdilution,Escherichia coli,
66
- 67036774,CC(=O)Nc1ccc(CC(=O)O)cc1,MROJXXOCABQVEF-UHFFFAOYSA-N,193.073893212,1.2721,actarit,2018.0,c1ccccc1,66.4,-0.1655999999999999,CC(=O)Nc1ccc(CC(=O)O)cc1,Broth microdilution,Escherichia coli,
67
- 67677248,O=C(OOC(=O)c1ccccc1)c1ccccc1,OMPJBNCRMGITSC-UHFFFAOYSA-N,242.0579088,2.615400000000001,benzoyl peroxide,7187.0,O=C(OOC(=O)c1ccccc1)c1ccccc1,52.6,0.0617799999999999,O=C(OOC(=O)c1ccccc1)c1ccccc1,Broth microdilution,Escherichia coli,
68
- 67701920,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,ULSUXBXHSYSGDT-UHFFFAOYSA-N,372.12090298,3.503000000000003,tangeretin,68077.0,O=c1cc(-c2ccccc2)oc2ccccc12,76.36000000000001,0.0673,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,Broth microdilution,Escherichia coli,
69
- 68111343,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,YXOLAZRVSSWPPT-UHFFFAOYSA-N,302.04265266,1.987999999999999,morin,5281670.0,O=c1cc(-c2ccccc2)oc2ccccc12,131.36,-0.1205499999999999,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,Broth microdilution,Escherichia coli,
70
- 68441763,Cc1nccc2c1[nH]c1ccccc12,PSFDQSOCUJVVGF-UHFFFAOYSA-N,182.08439832,3.0245200000000008,harman,5281404.0,c1ccc2c(c1)[nH]c1cnccc12,28.68,-0.0274099999999999,Cc1nccc2c1[nH]c1ccccc12,Broth microdilution,Escherichia coli,
71
- 68641301,CN1C(=O)CC(c2ccccc2)C1=O,WLWFNJKHKGIJNW-UHFFFAOYSA-N,189.078978592,1.1588999999999998,phensuximide,6839.0,O=C1CC(c2ccccc2)C(=O)N1,37.38,-0.0472300000000001,CN1C(=O)CC(c2ccccc2)C1=O,Broth microdilution,Escherichia coli,
72
- 68645750,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,BXZVVICBKDXVGW-UHFFFAOYSA-N,236.090940244,-0.21050000000000008,"9-(5-(hydroxymethyl)oxolan-2-yl)-1,9-dihydro-6h-purin-6-one",135422442.0,O=c1[nH]cnc2c1ncn2C1CCCO1,93.03,0.390885,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,Broth microdilution,Escherichia coli,
73
- 69192384,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,HZEQBCVBILBTEP-UHFFFAOYSA-N,436.20319312399994,2.4726,"(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate;piperazine",21873159.0,C1CNCCN1.O=C1CCC2C1CCC1c3ccccc3CCC12,104.73000000000002,0.0348,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,Broth microdilution,Escherichia coli,
74
- 70039863,NC(=O)Nc1ccc([As](=O)(O)O)cc1,WWXBHTZSYYGCSG-UHFFFAOYSA-N,259.977828268,-1.2617999999999998,carbarsone,8480.0,c1ccccc1,112.65,-0.0166999999999999,NC(=O)Nc1ccc([As](=O)(O)O)cc1,Broth microdilution,Escherichia coli,
75
- 70469358,C=CCCCCCCCCCCCc1ccco1,KNKVJBRMGKXDGO-UHFFFAOYSA-N,248.21401551600002,5.909100000000006,avocadenofuran,6857792.0,c1ccoc1,13.14,0.0140599999999999,C=CCCCCCCCCCCCc1ccco1,Broth microdilution,Escherichia coli,
76
- 70725982,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,VYMDGNCVAMGZFE-UHFFFAOYSA-N,308.15247787999994,3.7878000000000025,phenylbutazone,4781.0,O=C1CC(=O)N(c2ccccc2)N1c1ccccc1,40.620000000000005,-0.0496,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,Broth microdilution,Escherichia coli,
77
- 71264959,CCCCCCCCC=CCCCCCCCC(=O)[O-].[NH3+]CCO,KGWDUNBJIMUFAP-UHFFFAOYSA-N,343.308644172,2.9944,2-hydroxyethylazanium;octadec-9-enoate,75633826.0,,88.0,0.334665,CCCCCCCCC=CCCCCCCCC(=O)[O-].[NH3+]CCO,Broth microdilution,Escherichia coli,
78
- 73234208,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,VWVSBHGCDBMOOT-UHFFFAOYSA-N,376.20498762799997,2.7808000000000015,topisolon,3000.0,O=C1C=CC2C(=C1)CCC1C3CCCC3CCC21,74.6,-0.0843499999999999,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,Broth microdilution,Escherichia coli,
79
- 74564994,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,KEQFDTJEEQKVLM-UHFFFAOYSA-N,559.005688596,1.4027999999999996,"7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride",73861436.0,N=C(C(=O)NC1C(=O)N2C=C(CSC(=O)c3ccco3)CSC12)c1cscn1,177.42000000000002,0.95529,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,Broth microdilution,Escherichia coli,
80
- 75376110,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,XLFWDASMENKTKL-UHFFFAOYSA-N,242.101504928,0.09200000000000008,pharmakon1600-01500673,5360788.0,c1c[n+](N2CCOCC2)no1,82.78000000000002,0.062415,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,Broth microdilution,Escherichia coli,
81
- 76817461,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,PXMNMQRDXWABCY-UHFFFAOYSA-N,307.14514000400004,3.3415000000000017,tebuconazole,86102.0,c1ccc(CCCCn2cncn2)cc1,50.94,-0.0482499999999999,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,Broth microdilution,Escherichia coli,
82
- 78270384,NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,XUFQPHANEAPEMJ-UHFFFAOYSA-N,337.04493571999996,-0.7679999999999998,famotidine,5702160.0,c1cscn1,175.82999999999998,-0.0036499999999999,NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,Broth microdilution,Escherichia coli,
83
- 79289859,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,GECHUMIMRBOMGK-UHFFFAOYSA-N,249.057197592,1.4646000000000001,sulfapyridine,5336.0,O=S(=O)(Nc1ccccn1)c1ccccc1,85.08,0.035375,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,Broth microdilution,Escherichia coli,
84
- 79496080,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],NMMVKSMGBDRONO-UHFFFAOYSA-N,266.031840524,-3.1838799999999994,"potassium 5-(9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-3-yl)tetrazol-2-ide",14853159.0,O=c1c(-c2nnn[n-]2)cnc2ccccn12,87.14,-0.04885,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],Broth microdilution,Escherichia coli,
85
- 79773026,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1,YWTYJOPNNQFBPC-UHFFFAOYSA-N,255.05230224,0.6879,(z)-n-(1-((6-chloropyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramide,135541675.0,C1=NCCN1Cc1cccnc1,83.66,-0.2166999999999999,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1,Broth microdilution,Escherichia coli,
86
- 80945726,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,GNUCGROXDZMCJI-UHFFFAOYSA-N,370.132716748,3.0397200000000018,4-(2-((4-methyl-6-phenyl-3-pyridazinyl)amino)ethyl)morpholine dihydrochloride,25058183.0,c1ccc(-c2ccc(NCCN3CCOCC3)nn2)cc1,50.28,0.05789,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,Broth microdilution,Escherichia coli,
87
- 82461671,COc1cccc(OC)c1O,KLIDCXVFHGNTTM-UHFFFAOYSA-N,154.06299418,1.4093999999999998,"2,6-dimethoxyphenol",7041.0,c1ccccc1,38.69,-0.076,COc1cccc(OC)c1O,Broth microdilution,Escherichia coli,
88
- 83511000,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,QNVKOSLOVOTXKF-UHFFFAOYSA-N,411.955265108,3.6087000000000016,"(2-amino-3,5-dibromophenyl)methyl-(4-hydroxycyclohexyl)azanium chloride",171114762.0,c1ccc(CNC2CCCCC2)cc1,58.28,-0.0907,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,Broth microdilution,Escherichia coli,
89
- 83741309,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,BJORNXNYWNIWEY-UHFFFAOYSA-N,236.10802622399999,2.5300000000000002,"2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1h-imidazol-1-ium chloride",171114754.0,c1ccc2c(c1)CCCC2C1=NCCN1,24.39,-0.0323500000000001,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,Broth microdilution,Escherichia coli,
90
- 85478953,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,DDBREPKUVSBGFI-UHFFFAOYSA-N,232.084792244,0.7004,phenobarbital,4763.0,O=C1NC(=O)C(c2ccccc2)C(=O)N1,75.27000000000001,-0.0267999999999999,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,Broth microdilution,Escherichia coli,
91
- 88733285,CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,QOTBQNVNUBKJMS-UHFFFAOYSA-N,228.078644244,2.9772000000000007,xanthyletin,65188.0,O=c1ccc2cc3c(cc2o1)OCC=C3,39.44,-0.0213749999999999,CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,Broth microdilution,Escherichia coli,
92
- 89713857,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,WTGQALLALWYDJH-UHFFFAOYSA-N,383.07322028399994,1.496,"9-methyl-3-oxa-9-azatricyclo[3.3.1.0<2,4>]non-7-yl 3-hydroxy-2-phenylpropanoat e, bromide",24207105.0,O=C(Cc1ccccc1)OC1CC2NC(C1)C1OC21,62.3,0.0585499999999999,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,Broth microdilution,Escherichia coli,
93
- 90946848,CCCCCCCCC(=O)O,FBUKVWPVBMHYJY-UHFFFAOYSA-N,158.130679816,2.821600000000001,nonanoic acid,8158.0,,37.3,0.1194049999999999,CCCCCCCCC(=O)O,Broth microdilution,Escherichia coli,
94
- 91486366,O=C([O-])CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+],CKMOQBVBEGCJGW-UHFFFAOYSA-L,401.059973696,-5.951099999999998,balsalazide (disodium),136000818.0,c1ccc(N=Nc2ccccc2)cc1,154.31,0.0007899999999999,O=C([O-])CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+],Broth microdilution,Escherichia coli,
95
- 92898166,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,AVOLMBLBETYQHX-UHFFFAOYSA-N,302.011264224,3.6057000000000023,ethacrynic acid,3278.0,c1ccccc1,63.60000000000001,-0.0779499999999999,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,Broth microdilution,Escherichia coli,
96
- 93182779,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,XZZXIYZZBJDEEP-UHFFFAOYSA-N,316.17062648,4.296800000000005,"3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-aminium chloride",15893898.0,c1ccc2c(c1)CCc1ccccc1N2,6.48,0.092705,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,Broth microdilution,Escherichia coli,
97
- 93364797,COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,WEAJZXNPAWBCOA-UHFFFAOYSA-N,483.17856537200004,2.4318,4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-n-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide,18762634.0,O=C(NCc1ncccn1)c1cnc(N2CCCC2)nc1NCc1ccccc1,125.39,-0.0360499999999999,COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,Broth microdilution,Escherichia coli,
98
- 98521080,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,FUQAYSQLAOJBBC-UHFFFAOYSA-N,222.198365452,3.7539000000000025,beta-caryophyllene alcohol,61125.0,C1CC2CCC3CCC3C(C1)C2,20.23,-0.0988500000000001,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,Broth microdilution,Escherichia coli,
99
- 99275533,CCCCCCCCCCCCC(C(=O)O)C(C)C(=O)O,CADNMISJDLVPCK-UHFFFAOYSA-N,300.230059504,4.718900000000003,2-dodecyl-3-methylbutanedioic acid,99891.0,,74.6,-0.0067349999999999,CCCCCCCCCCCCC(C(=O)O)C(C)C(=O)O,Broth microdilution,Escherichia coli,
100
- 99349341,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,QWGDMFLQWFTERH-UHFFFAOYSA-N,313.09818981199993,3.4292000000000025,amoxapine,2170.0,c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2,36.86,0.207335,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,Broth microdilution,Escherichia coli,
101
- 99605331,NCCCNCCCCNCCCN,PFNFFQXMRSDOHW-UHFFFAOYSA-N,202.21574683199998,-0.35659999999999775,spermine,1103.0,,76.1,-0.1079499999999999,NCCCNCCCCNCCCN,Broth microdilution,Escherichia coli,
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
cache/df-load/bd9aba8913b76558.csv DELETED
@@ -1,4 +0,0 @@
1
- id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,full_strain_name,mic_method,pmic
2
- 59856225,ciproxan,4011971,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,MYSWGUAQZAJSOK-UHFFFAOYSA-N,331.13321965599994,1.5833,Escherichia coli,Broth microdilution,
3
- 37063130,"(6r,7r)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1h-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",51800,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1,VAAUVRVFOQPIGI-RFAUZJTJSA-N,554.0460579160002,-1.6112999999999957,Escherichia coli,Broth microdilution,
4
- 11207513,c30h34cln7o10s2,175647815,CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O,DBPPRLRVDVJOCL-FQRUVTKNSA-N,751.1497099680003,-0.1816999999999978,Escherichia coli,Broth microdilution,
 
 
 
 
 
cache/duvidnn/0.0.2/models--scbirlab--spark-dv-2510-wt/refs/main DELETED
@@ -1 +0,0 @@
1
- eef08511f5580a865bd312c6ae58e3b12cfaf515
 
 
cache/matplotlib/fontlist-v390.json DELETED
@@ -1,2174 +0,0 @@
1
- {
2
- "_version": 390,
3
- "_FontManager__default_weight": "normal",
4
- "default_size": null,
5
- "defaultFamily": {
6
- "ttf": "DejaVu Sans",
7
- "afm": "Helvetica"
8
- },
9
- "afmlist": [
10
- {
11
- "fname": "fonts/pdfcorefonts/Times-Italic.afm",
12
- "name": "Times",
13
- "style": "italic",
14
- "variant": "normal",
15
- "weight": "medium",
16
- "stretch": "normal",
17
- "size": "scalable",
18
- "__class__": "FontEntry"
19
- },
20
- {
21
- "fname": "fonts/afm/phvb8a.afm",
22
- "name": "Helvetica",
23
- "style": "normal",
24
- "variant": "normal",
25
- "weight": "bold",
26
- "stretch": "normal",
27
- "size": "scalable",
28
- "__class__": "FontEntry"
29
- },
30
- {
31
- "fname": "fonts/pdfcorefonts/Symbol.afm",
32
- "name": "Symbol",
33
- "style": "normal",
34
- "variant": "normal",
35
- "weight": "medium",
36
- "stretch": "normal",
37
- "size": "scalable",
38
- "__class__": "FontEntry"
39
- },
40
- {
41
- "fname": "fonts/afm/cmex10.afm",
42
- "name": "Computer Modern",
43
- "style": "normal",
44
- "variant": "normal",
45
- "weight": "medium",
46
- "stretch": "normal",
47
- "size": "scalable",
48
- "__class__": "FontEntry"
49
- },
50
- {
51
- "fname": "fonts/afm/pbkdi8a.afm",
52
- "name": "ITC Bookman",
53
- "style": "italic",
54
- "variant": "normal",
55
- "weight": "demi",
56
- "stretch": "normal",
57
- "size": "scalable",
58
- "__class__": "FontEntry"
59
- },
60
- {
61
- "fname": "fonts/afm/pplr8a.afm",
62
- "name": "Palatino",
63
- "style": "normal",
64
- "variant": "normal",
65
- "weight": "roman",
66
- "stretch": "normal",
67
- "size": "scalable",
68
- "__class__": "FontEntry"
69
- },
70
- {
71
- "fname": "fonts/afm/pplbi8a.afm",
72
- "name": "Palatino",
73
- "style": "italic",
74
- "variant": "normal",
75
- "weight": "bold",
76
- "stretch": "normal",
77
- "size": "scalable",
78
- "__class__": "FontEntry"
79
- },
80
- {
81
- "fname": "fonts/pdfcorefonts/Times-BoldItalic.afm",
82
- "name": "Times",
83
- "style": "italic",
84
- "variant": "normal",
85
- "weight": "bold",
86
- "stretch": "normal",
87
- "size": "scalable",
88
- "__class__": "FontEntry"
89
- },
90
- {
91
- "fname": "fonts/afm/pplb8a.afm",
92
- "name": "Palatino",
93
- "style": "normal",
94
- "variant": "normal",
95
- "weight": "bold",
96
- "stretch": "normal",
97
- "size": "scalable",
98
- "__class__": "FontEntry"
99
- },
100
- {
101
- "fname": "fonts/afm/pcrb8a.afm",
102
- "name": "Courier",
103
- "style": "normal",
104
- "variant": "normal",
105
- "weight": "bold",
106
- "stretch": "normal",
107
- "size": "scalable",
108
- "__class__": "FontEntry"
109
- },
110
- {
111
- "fname": "fonts/afm/ptmri8a.afm",
112
- "name": "Times",
113
- "style": "italic",
114
- "variant": "normal",
115
- "weight": "medium",
116
- "stretch": "normal",
117
- "size": "scalable",
118
- "__class__": "FontEntry"
119
- },
120
- {
121
- "fname": "fonts/afm/phvb8an.afm",
122
- "name": "Helvetica",
123
- "style": "normal",
124
- "variant": "normal",
125
- "weight": "bold",
126
- "stretch": "condensed",
127
- "size": "scalable",
128
- "__class__": "FontEntry"
129
- },
130
- {
131
- "fname": "fonts/pdfcorefonts/Helvetica-BoldOblique.afm",
132
- "name": "Helvetica",
133
- "style": "italic",
134
- "variant": "normal",
135
- "weight": "bold",
136
- "stretch": "normal",
137
- "size": "scalable",
138
- "__class__": "FontEntry"
139
- },
140
- {
141
- "fname": "fonts/afm/pcrbo8a.afm",
142
- "name": "Courier",
143
- "style": "italic",
144
- "variant": "normal",
145
- "weight": "bold",
146
- "stretch": "normal",
147
- "size": "scalable",
148
- "__class__": "FontEntry"
149
- },
150
- {
151
- "fname": "fonts/afm/phvr8a.afm",
152
- "name": "Helvetica",
153
- "style": "normal",
154
- "variant": "normal",
155
- "weight": "medium",
156
- "stretch": "normal",
157
- "size": "scalable",
158
- "__class__": "FontEntry"
159
- },
160
- {
161
- "fname": "fonts/afm/cmr10.afm",
162
- "name": "Computer Modern",
163
- "style": "normal",
164
- "variant": "normal",
165
- "weight": "medium",
166
- "stretch": "normal",
167
- "size": "scalable",
168
- "__class__": "FontEntry"
169
- },
170
- {
171
- "fname": "fonts/afm/ptmb8a.afm",
172
- "name": "Times",
173
- "style": "normal",
174
- "variant": "normal",
175
- "weight": "bold",
176
- "stretch": "normal",
177
- "size": "scalable",
178
- "__class__": "FontEntry"
179
- },
180
- {
181
- "fname": "fonts/pdfcorefonts/Courier-Oblique.afm",
182
- "name": "Courier",
183
- "style": "italic",
184
- "variant": "normal",
185
- "weight": "medium",
186
- "stretch": "normal",
187
- "size": "scalable",
188
- "__class__": "FontEntry"
189
- },
190
- {
191
- "fname": "fonts/pdfcorefonts/Times-Bold.afm",
192
- "name": "Times",
193
- "style": "normal",
194
- "variant": "normal",
195
- "weight": "bold",
196
- "stretch": "normal",
197
- "size": "scalable",
198
- "__class__": "FontEntry"
199
- },
200
- {
201
- "fname": "fonts/afm/pncr8a.afm",
202
- "name": "New Century Schoolbook",
203
- "style": "normal",
204
- "variant": "normal",
205
- "weight": "roman",
206
- "stretch": "normal",
207
- "size": "scalable",
208
- "__class__": "FontEntry"
209
- },
210
- {
211
- "fname": "fonts/afm/putb8a.afm",
212
- "name": "Utopia",
213
- "style": "normal",
214
- "variant": "normal",
215
- "weight": "bold",
216
- "stretch": "normal",
217
- "size": "scalable",
218
- "__class__": "FontEntry"
219
- },
220
- {
221
- "fname": "fonts/afm/cmtt10.afm",
222
- "name": "Computer Modern",
223
- "style": "normal",
224
- "variant": "normal",
225
- "weight": "medium",
226
- "stretch": "normal",
227
- "size": "scalable",
228
- "__class__": "FontEntry"
229
- },
230
- {
231
- "fname": "fonts/afm/phvro8a.afm",
232
- "name": "Helvetica",
233
- "style": "italic",
234
- "variant": "normal",
235
- "weight": "medium",
236
- "stretch": "normal",
237
- "size": "scalable",
238
- "__class__": "FontEntry"
239
- },
240
- {
241
- "fname": "fonts/pdfcorefonts/Helvetica.afm",
242
- "name": "Helvetica",
243
- "style": "normal",
244
- "variant": "normal",
245
- "weight": "medium",
246
- "stretch": "normal",
247
- "size": "scalable",
248
- "__class__": "FontEntry"
249
- },
250
- {
251
- "fname": "fonts/afm/pbkd8a.afm",
252
- "name": "ITC Bookman",
253
- "style": "normal",
254
- "variant": "normal",
255
- "weight": "demi",
256
- "stretch": "normal",
257
- "size": "scalable",
258
- "__class__": "FontEntry"
259
- },
260
- {
261
- "fname": "fonts/afm/pplri8a.afm",
262
- "name": "Palatino",
263
- "style": "italic",
264
- "variant": "normal",
265
- "weight": "medium",
266
- "stretch": "normal",
267
- "size": "scalable",
268
- "__class__": "FontEntry"
269
- },
270
- {
271
- "fname": "fonts/afm/ptmr8a.afm",
272
- "name": "Times",
273
- "style": "normal",
274
- "variant": "normal",
275
- "weight": "roman",
276
- "stretch": "normal",
277
- "size": "scalable",
278
- "__class__": "FontEntry"
279
- },
280
- {
281
- "fname": "fonts/afm/cmmi10.afm",
282
- "name": "Computer Modern",
283
- "style": "italic",
284
- "variant": "normal",
285
- "weight": "medium",
286
- "stretch": "normal",
287
- "size": "scalable",
288
- "__class__": "FontEntry"
289
- },
290
- {
291
- "fname": "fonts/afm/pcrr8a.afm",
292
- "name": "Courier",
293
- "style": "normal",
294
- "variant": "normal",
295
- "weight": "medium",
296
- "stretch": "normal",
297
- "size": "scalable",
298
- "__class__": "FontEntry"
299
- },
300
- {
301
- "fname": "fonts/afm/putri8a.afm",
302
- "name": "Utopia",
303
- "style": "italic",
304
- "variant": "normal",
305
- "weight": "regular",
306
- "stretch": "normal",
307
- "size": "scalable",
308
- "__class__": "FontEntry"
309
- },
310
- {
311
- "fname": "fonts/afm/pbkl8a.afm",
312
- "name": "ITC Bookman",
313
- "style": "normal",
314
- "variant": "normal",
315
- "weight": "light",
316
- "stretch": "normal",
317
- "size": "scalable",
318
- "__class__": "FontEntry"
319
- },
320
- {
321
- "fname": "fonts/afm/pzdr.afm",
322
- "name": "ITC Zapf Dingbats",
323
- "style": "normal",
324
- "variant": "normal",
325
- "weight": "medium",
326
- "stretch": "normal",
327
- "size": "scalable",
328
- "__class__": "FontEntry"
329
- },
330
- {
331
- "fname": "fonts/afm/pcrro8a.afm",
332
- "name": "Courier",
333
- "style": "italic",
334
- "variant": "normal",
335
- "weight": "medium",
336
- "stretch": "normal",
337
- "size": "scalable",
338
- "__class__": "FontEntry"
339
- },
340
- {
341
- "fname": "fonts/pdfcorefonts/Helvetica-Oblique.afm",
342
- "name": "Helvetica",
343
- "style": "italic",
344
- "variant": "normal",
345
- "weight": "medium",
346
- "stretch": "normal",
347
- "size": "scalable",
348
- "__class__": "FontEntry"
349
- },
350
- {
351
- "fname": "fonts/pdfcorefonts/Helvetica-Bold.afm",
352
- "name": "Helvetica",
353
- "style": "normal",
354
- "variant": "normal",
355
- "weight": "bold",
356
- "stretch": "normal",
357
- "size": "scalable",
358
- "__class__": "FontEntry"
359
- },
360
- {
361
- "fname": "fonts/afm/phvl8a.afm",
362
- "name": "Helvetica",
363
- "style": "normal",
364
- "variant": "normal",
365
- "weight": "light",
366
- "stretch": "normal",
367
- "size": "scalable",
368
- "__class__": "FontEntry"
369
- },
370
- {
371
- "fname": "fonts/afm/pagko8a.afm",
372
- "name": "ITC Avant Garde Gothic",
373
- "style": "italic",
374
- "variant": "normal",
375
- "weight": "book",
376
- "stretch": "normal",
377
- "size": "scalable",
378
- "__class__": "FontEntry"
379
- },
380
- {
381
- "fname": "fonts/afm/pncri8a.afm",
382
- "name": "New Century Schoolbook",
383
- "style": "italic",
384
- "variant": "normal",
385
- "weight": "medium",
386
- "stretch": "normal",
387
- "size": "scalable",
388
- "__class__": "FontEntry"
389
- },
390
- {
391
- "fname": "fonts/pdfcorefonts/Courier.afm",
392
- "name": "Courier",
393
- "style": "normal",
394
- "variant": "normal",
395
- "weight": "medium",
396
- "stretch": "normal",
397
- "size": "scalable",
398
- "__class__": "FontEntry"
399
- },
400
- {
401
- "fname": "fonts/pdfcorefonts/Courier-Bold.afm",
402
- "name": "Courier",
403
- "style": "normal",
404
- "variant": "normal",
405
- "weight": "bold",
406
- "stretch": "normal",
407
- "size": "scalable",
408
- "__class__": "FontEntry"
409
- },
410
- {
411
- "fname": "fonts/afm/pagdo8a.afm",
412
- "name": "ITC Avant Garde Gothic",
413
- "style": "italic",
414
- "variant": "normal",
415
- "weight": "demi",
416
- "stretch": "normal",
417
- "size": "scalable",
418
- "__class__": "FontEntry"
419
- },
420
- {
421
- "fname": "fonts/afm/psyr.afm",
422
- "name": "Symbol",
423
- "style": "normal",
424
- "variant": "normal",
425
- "weight": "medium",
426
- "stretch": "normal",
427
- "size": "scalable",
428
- "__class__": "FontEntry"
429
- },
430
- {
431
- "fname": "fonts/afm/phvbo8an.afm",
432
- "name": "Helvetica",
433
- "style": "italic",
434
- "variant": "normal",
435
- "weight": "bold",
436
- "stretch": "condensed",
437
- "size": "scalable",
438
- "__class__": "FontEntry"
439
- },
440
- {
441
- "fname": "fonts/afm/pncbi8a.afm",
442
- "name": "New Century Schoolbook",
443
- "style": "italic",
444
- "variant": "normal",
445
- "weight": "bold",
446
- "stretch": "normal",
447
- "size": "scalable",
448
- "__class__": "FontEntry"
449
- },
450
- {
451
- "fname": "fonts/pdfcorefonts/Courier-BoldOblique.afm",
452
- "name": "Courier",
453
- "style": "italic",
454
- "variant": "normal",
455
- "weight": "bold",
456
- "stretch": "normal",
457
- "size": "scalable",
458
- "__class__": "FontEntry"
459
- },
460
- {
461
- "fname": "fonts/afm/pbkli8a.afm",
462
- "name": "ITC Bookman",
463
- "style": "italic",
464
- "variant": "normal",
465
- "weight": "light",
466
- "stretch": "normal",
467
- "size": "scalable",
468
- "__class__": "FontEntry"
469
- },
470
- {
471
- "fname": "fonts/afm/pagk8a.afm",
472
- "name": "ITC Avant Garde Gothic",
473
- "style": "normal",
474
- "variant": "normal",
475
- "weight": "book",
476
- "stretch": "normal",
477
- "size": "scalable",
478
- "__class__": "FontEntry"
479
- },
480
- {
481
- "fname": "fonts/afm/putbi8a.afm",
482
- "name": "Utopia",
483
- "style": "italic",
484
- "variant": "normal",
485
- "weight": "bold",
486
- "stretch": "normal",
487
- "size": "scalable",
488
- "__class__": "FontEntry"
489
- },
490
- {
491
- "fname": "fonts/afm/phvro8an.afm",
492
- "name": "Helvetica",
493
- "style": "italic",
494
- "variant": "normal",
495
- "weight": "medium",
496
- "stretch": "condensed",
497
- "size": "scalable",
498
- "__class__": "FontEntry"
499
- },
500
- {
501
- "fname": "fonts/pdfcorefonts/ZapfDingbats.afm",
502
- "name": "ZapfDingbats",
503
- "style": "normal",
504
- "variant": "normal",
505
- "weight": "medium",
506
- "stretch": "normal",
507
- "size": "scalable",
508
- "__class__": "FontEntry"
509
- },
510
- {
511
- "fname": "fonts/afm/pzcmi8a.afm",
512
- "name": "ITC Zapf Chancery",
513
- "style": "italic",
514
- "variant": "normal",
515
- "weight": "medium",
516
- "stretch": "normal",
517
- "size": "scalable",
518
- "__class__": "FontEntry"
519
- },
520
- {
521
- "fname": "fonts/afm/pncb8a.afm",
522
- "name": "New Century Schoolbook",
523
- "style": "normal",
524
- "variant": "normal",
525
- "weight": "bold",
526
- "stretch": "normal",
527
- "size": "scalable",
528
- "__class__": "FontEntry"
529
- },
530
- {
531
- "fname": "fonts/afm/phvbo8a.afm",
532
- "name": "Helvetica",
533
- "style": "italic",
534
- "variant": "normal",
535
- "weight": "bold",
536
- "stretch": "normal",
537
- "size": "scalable",
538
- "__class__": "FontEntry"
539
- },
540
- {
541
- "fname": "fonts/afm/phvr8an.afm",
542
- "name": "Helvetica",
543
- "style": "normal",
544
- "variant": "normal",
545
- "weight": "medium",
546
- "stretch": "condensed",
547
- "size": "scalable",
548
- "__class__": "FontEntry"
549
- },
550
- {
551
- "fname": "fonts/afm/phvlo8a.afm",
552
- "name": "Helvetica",
553
- "style": "italic",
554
- "variant": "normal",
555
- "weight": "light",
556
- "stretch": "normal",
557
- "size": "scalable",
558
- "__class__": "FontEntry"
559
- },
560
- {
561
- "fname": "fonts/afm/ptmbi8a.afm",
562
- "name": "Times",
563
- "style": "italic",
564
- "variant": "normal",
565
- "weight": "bold",
566
- "stretch": "normal",
567
- "size": "scalable",
568
- "__class__": "FontEntry"
569
- },
570
- {
571
- "fname": "fonts/pdfcorefonts/Times-Roman.afm",
572
- "name": "Times",
573
- "style": "normal",
574
- "variant": "normal",
575
- "weight": "roman",
576
- "stretch": "normal",
577
- "size": "scalable",
578
- "__class__": "FontEntry"
579
- },
580
- {
581
- "fname": "fonts/afm/cmsy10.afm",
582
- "name": "Computer Modern",
583
- "style": "italic",
584
- "variant": "normal",
585
- "weight": "medium",
586
- "stretch": "normal",
587
- "size": "scalable",
588
- "__class__": "FontEntry"
589
- },
590
- {
591
- "fname": "fonts/afm/putr8a.afm",
592
- "name": "Utopia",
593
- "style": "normal",
594
- "variant": "normal",
595
- "weight": "regular",
596
- "stretch": "normal",
597
- "size": "scalable",
598
- "__class__": "FontEntry"
599
- },
600
- {
601
- "fname": "fonts/afm/pagd8a.afm",
602
- "name": "ITC Avant Garde Gothic",
603
- "style": "normal",
604
- "variant": "normal",
605
- "weight": "demi",
606
- "stretch": "normal",
607
- "size": "scalable",
608
- "__class__": "FontEntry"
609
- },
610
- {
611
- "fname": "/usr/share/fonts/urw-base35/NimbusSansNarrow-BoldOblique.afm",
612
- "name": "Nimbus Sans Narrow",
613
- "style": "italic",
614
- "variant": "normal",
615
- "weight": "bold",
616
- "stretch": "condensed",
617
- "size": "scalable",
618
- "__class__": "FontEntry"
619
- },
620
- {
621
- "fname": "/usr/share/fonts/urw-base35/NimbusSans-BoldItalic.afm",
622
- "name": "Nimbus Sans",
623
- "style": "italic",
624
- "variant": "normal",
625
- "weight": "bold",
626
- "stretch": "normal",
627
- "size": "scalable",
628
- "__class__": "FontEntry"
629
- },
630
- {
631
- "fname": "/usr/share/fonts/urw-base35/URWGothic-Demi.afm",
632
- "name": "URW Gothic",
633
- "style": "normal",
634
- "variant": "normal",
635
- "weight": "demi",
636
- "stretch": "normal",
637
- "size": "scalable",
638
- "__class__": "FontEntry"
639
- },
640
- {
641
- "fname": "/usr/share/fonts/urw-base35/NimbusRoman-Regular.afm",
642
- "name": "Nimbus Roman",
643
- "style": "normal",
644
- "variant": "normal",
645
- "weight": "regular",
646
- "stretch": "normal",
647
- "size": "scalable",
648
- "__class__": "FontEntry"
649
- },
650
- {
651
- "fname": "/usr/share/fonts/urw-base35/URWBookman-LightItalic.afm",
652
- "name": "URW Bookman",
653
- "style": "italic",
654
- "variant": "normal",
655
- "weight": "light",
656
- "stretch": "normal",
657
- "size": "scalable",
658
- "__class__": "FontEntry"
659
- },
660
- {
661
- "fname": "/usr/share/fonts/urw-base35/P052-Bold.afm",
662
- "name": "P052",
663
- "style": "normal",
664
- "variant": "normal",
665
- "weight": "bold",
666
- "stretch": "normal",
667
- "size": "scalable",
668
- "__class__": "FontEntry"
669
- },
670
- {
671
- "fname": "/usr/share/fonts/urw-base35/C059-BdIta.afm",
672
- "name": "C059",
673
- "style": "italic",
674
- "variant": "normal",
675
- "weight": "bold",
676
- "stretch": "normal",
677
- "size": "scalable",
678
- "__class__": "FontEntry"
679
- },
680
- {
681
- "fname": "/usr/share/fonts/urw-base35/NimbusMonoPS-BoldItalic.afm",
682
- "name": "Nimbus Mono PS",
683
- "style": "italic",
684
- "variant": "normal",
685
- "weight": "bold",
686
- "stretch": "normal",
687
- "size": "scalable",
688
- "__class__": "FontEntry"
689
- },
690
- {
691
- "fname": "/usr/share/fonts/urw-base35/P052-Roman.afm",
692
- "name": "P052",
693
- "style": "normal",
694
- "variant": "normal",
695
- "weight": "roman",
696
- "stretch": "normal",
697
- "size": "scalable",
698
- "__class__": "FontEntry"
699
- },
700
- {
701
- "fname": "/usr/share/fonts/urw-base35/P052-Italic.afm",
702
- "name": "P052",
703
- "style": "italic",
704
- "variant": "normal",
705
- "weight": "regular",
706
- "stretch": "normal",
707
- "size": "scalable",
708
- "__class__": "FontEntry"
709
- },
710
- {
711
- "fname": "/usr/share/fonts/urw-base35/NimbusSansNarrow-Bold.afm",
712
- "name": "Nimbus Sans Narrow",
713
- "style": "normal",
714
- "variant": "normal",
715
- "weight": "bold",
716
- "stretch": "condensed",
717
- "size": "scalable",
718
- "__class__": "FontEntry"
719
- },
720
- {
721
- "fname": "/usr/share/fonts/urw-base35/NimbusSansNarrow-Oblique.afm",
722
- "name": "Nimbus Sans Narrow",
723
- "style": "italic",
724
- "variant": "normal",
725
- "weight": "regular",
726
- "stretch": "condensed",
727
- "size": "scalable",
728
- "__class__": "FontEntry"
729
- },
730
- {
731
- "fname": "/usr/share/fonts/urw-base35/P052-BoldItalic.afm",
732
- "name": "P052",
733
- "style": "italic",
734
- "variant": "normal",
735
- "weight": "bold",
736
- "stretch": "normal",
737
- "size": "scalable",
738
- "__class__": "FontEntry"
739
- },
740
- {
741
- "fname": "/usr/share/fonts/urw-base35/NimbusMonoPS-Bold.afm",
742
- "name": "Nimbus Mono PS",
743
- "style": "normal",
744
- "variant": "normal",
745
- "weight": "bold",
746
- "stretch": "normal",
747
- "size": "scalable",
748
- "__class__": "FontEntry"
749
- },
750
- {
751
- "fname": "/usr/share/fonts/urw-base35/NimbusSans-Italic.afm",
752
- "name": "Nimbus Sans",
753
- "style": "italic",
754
- "variant": "normal",
755
- "weight": "regular",
756
- "stretch": "normal",
757
- "size": "scalable",
758
- "__class__": "FontEntry"
759
- },
760
- {
761
- "fname": "/usr/share/fonts/urw-base35/URWBookman-Light.afm",
762
- "name": "URW Bookman",
763
- "style": "normal",
764
- "variant": "normal",
765
- "weight": "light",
766
- "stretch": "normal",
767
- "size": "scalable",
768
- "__class__": "FontEntry"
769
- },
770
- {
771
- "fname": "/usr/share/fonts/urw-base35/URWGothic-BookOblique.afm",
772
- "name": "URW Gothic",
773
- "style": "italic",
774
- "variant": "normal",
775
- "weight": "book",
776
- "stretch": "normal",
777
- "size": "scalable",
778
- "__class__": "FontEntry"
779
- },
780
- {
781
- "fname": "/usr/share/fonts/urw-base35/URWGothic-DemiOblique.afm",
782
- "name": "URW Gothic",
783
- "style": "italic",
784
- "variant": "normal",
785
- "weight": "demi",
786
- "stretch": "normal",
787
- "size": "scalable",
788
- "__class__": "FontEntry"
789
- },
790
- {
791
- "fname": "/usr/share/fonts/urw-base35/NimbusRoman-BoldItalic.afm",
792
- "name": "Nimbus Roman",
793
- "style": "italic",
794
- "variant": "normal",
795
- "weight": "bold",
796
- "stretch": "normal",
797
- "size": "scalable",
798
- "__class__": "FontEntry"
799
- },
800
- {
801
- "fname": "/usr/share/fonts/urw-base35/NimbusSans-Regular.afm",
802
- "name": "Nimbus Sans",
803
- "style": "normal",
804
- "variant": "normal",
805
- "weight": "regular",
806
- "stretch": "normal",
807
- "size": "scalable",
808
- "__class__": "FontEntry"
809
- },
810
- {
811
- "fname": "/usr/share/fonts/urw-base35/URWBookman-Demi.afm",
812
- "name": "URW Bookman",
813
- "style": "normal",
814
- "variant": "normal",
815
- "weight": "demi",
816
- "stretch": "normal",
817
- "size": "scalable",
818
- "__class__": "FontEntry"
819
- },
820
- {
821
- "fname": "/usr/share/fonts/urw-base35/Z003-MediumItalic.afm",
822
- "name": "Z003",
823
- "style": "italic",
824
- "variant": "normal",
825
- "weight": "medium",
826
- "stretch": "normal",
827
- "size": "scalable",
828
- "__class__": "FontEntry"
829
- },
830
- {
831
- "fname": "/usr/share/fonts/urw-base35/C059-Italic.afm",
832
- "name": "C059",
833
- "style": "italic",
834
- "variant": "normal",
835
- "weight": "roman",
836
- "stretch": "normal",
837
- "size": "scalable",
838
- "__class__": "FontEntry"
839
- },
840
- {
841
- "fname": "/usr/share/fonts/urw-base35/C059-Bold.afm",
842
- "name": "C059",
843
- "style": "normal",
844
- "variant": "normal",
845
- "weight": "bold",
846
- "stretch": "normal",
847
- "size": "scalable",
848
- "__class__": "FontEntry"
849
- },
850
- {
851
- "fname": "/usr/share/fonts/urw-base35/URWBookman-DemiItalic.afm",
852
- "name": "URW Bookman",
853
- "style": "italic",
854
- "variant": "normal",
855
- "weight": "demi",
856
- "stretch": "normal",
857
- "size": "scalable",
858
- "__class__": "FontEntry"
859
- },
860
- {
861
- "fname": "/usr/share/fonts/urw-base35/NimbusSans-Bold.afm",
862
- "name": "Nimbus Sans",
863
- "style": "normal",
864
- "variant": "normal",
865
- "weight": "bold",
866
- "stretch": "normal",
867
- "size": "scalable",
868
- "__class__": "FontEntry"
869
- },
870
- {
871
- "fname": "/usr/share/fonts/urw-base35/D050000L.afm",
872
- "name": "D050000L",
873
- "style": "normal",
874
- "variant": "normal",
875
- "weight": "regular",
876
- "stretch": "normal",
877
- "size": "scalable",
878
- "__class__": "FontEntry"
879
- },
880
- {
881
- "fname": "/usr/share/fonts/urw-base35/NimbusMonoPS-Regular.afm",
882
- "name": "Nimbus Mono PS",
883
- "style": "normal",
884
- "variant": "normal",
885
- "weight": "regular",
886
- "stretch": "normal",
887
- "size": "scalable",
888
- "__class__": "FontEntry"
889
- },
890
- {
891
- "fname": "/usr/share/fonts/urw-base35/C059-Roman.afm",
892
- "name": "C059",
893
- "style": "normal",
894
- "variant": "normal",
895
- "weight": "roman",
896
- "stretch": "normal",
897
- "size": "scalable",
898
- "__class__": "FontEntry"
899
- },
900
- {
901
- "fname": "/usr/share/fonts/urw-base35/StandardSymbolsPS.afm",
902
- "name": "Standard Symbols PS",
903
- "style": "normal",
904
- "variant": "normal",
905
- "weight": "regular",
906
- "stretch": "normal",
907
- "size": "scalable",
908
- "__class__": "FontEntry"
909
- },
910
- {
911
- "fname": "/usr/share/fonts/urw-base35/URWGothic-Book.afm",
912
- "name": "URW Gothic",
913
- "style": "normal",
914
- "variant": "normal",
915
- "weight": "book",
916
- "stretch": "normal",
917
- "size": "scalable",
918
- "__class__": "FontEntry"
919
- },
920
- {
921
- "fname": "/usr/share/fonts/urw-base35/NimbusSansNarrow-Regular.afm",
922
- "name": "Nimbus Sans Narrow",
923
- "style": "normal",
924
- "variant": "normal",
925
- "weight": "regular",
926
- "stretch": "condensed",
927
- "size": "scalable",
928
- "__class__": "FontEntry"
929
- },
930
- {
931
- "fname": "/usr/share/fonts/urw-base35/NimbusRoman-Bold.afm",
932
- "name": "Nimbus Roman",
933
- "style": "normal",
934
- "variant": "normal",
935
- "weight": "bold",
936
- "stretch": "normal",
937
- "size": "scalable",
938
- "__class__": "FontEntry"
939
- },
940
- {
941
- "fname": "/usr/share/fonts/urw-base35/NimbusMonoPS-Italic.afm",
942
- "name": "Nimbus Mono PS",
943
- "style": "italic",
944
- "variant": "normal",
945
- "weight": "regular",
946
- "stretch": "normal",
947
- "size": "scalable",
948
- "__class__": "FontEntry"
949
- },
950
- {
951
- "fname": "/usr/share/fonts/urw-base35/NimbusRoman-Italic.afm",
952
- "name": "Nimbus Roman",
953
- "style": "italic",
954
- "variant": "normal",
955
- "weight": "regular",
956
- "stretch": "normal",
957
- "size": "scalable",
958
- "__class__": "FontEntry"
959
- }
960
- ],
961
- "ttflist": [
962
- {
963
- "fname": "fonts/ttf/DejaVuSans-BoldOblique.ttf",
964
- "name": "DejaVu Sans",
965
- "style": "oblique",
966
- "variant": "normal",
967
- "weight": 700,
968
- "stretch": "normal",
969
- "size": "scalable",
970
- "__class__": "FontEntry"
971
- },
972
- {
973
- "fname": "fonts/ttf/STIXSizFourSymReg.ttf",
974
- "name": "STIXSizeFourSym",
975
- "style": "normal",
976
- "variant": "normal",
977
- "weight": 400,
978
- "stretch": "normal",
979
- "size": "scalable",
980
- "__class__": "FontEntry"
981
- },
982
- {
983
- "fname": "fonts/ttf/STIXNonUniBol.ttf",
984
- "name": "STIXNonUnicode",
985
- "style": "normal",
986
- "variant": "normal",
987
- "weight": 700,
988
- "stretch": "normal",
989
- "size": "scalable",
990
- "__class__": "FontEntry"
991
- },
992
- {
993
- "fname": "fonts/ttf/STIXGeneralBol.ttf",
994
- "name": "STIXGeneral",
995
- "style": "normal",
996
- "variant": "normal",
997
- "weight": 700,
998
- "stretch": "normal",
999
- "size": "scalable",
1000
- "__class__": "FontEntry"
1001
- },
1002
- {
1003
- "fname": "fonts/ttf/cmb10.ttf",
1004
- "name": "cmb10",
1005
- "style": "normal",
1006
- "variant": "normal",
1007
- "weight": 400,
1008
- "stretch": "normal",
1009
- "size": "scalable",
1010
- "__class__": "FontEntry"
1011
- },
1012
- {
1013
- "fname": "fonts/ttf/cmr10.ttf",
1014
- "name": "cmr10",
1015
- "style": "normal",
1016
- "variant": "normal",
1017
- "weight": 400,
1018
- "stretch": "normal",
1019
- "size": "scalable",
1020
- "__class__": "FontEntry"
1021
- },
1022
- {
1023
- "fname": "fonts/ttf/STIXGeneralItalic.ttf",
1024
- "name": "STIXGeneral",
1025
- "style": "italic",
1026
- "variant": "normal",
1027
- "weight": 400,
1028
- "stretch": "normal",
1029
- "size": "scalable",
1030
- "__class__": "FontEntry"
1031
- },
1032
- {
1033
- "fname": "fonts/ttf/DejaVuSans-Oblique.ttf",
1034
- "name": "DejaVu Sans",
1035
- "style": "oblique",
1036
- "variant": "normal",
1037
- "weight": 400,
1038
- "stretch": "normal",
1039
- "size": "scalable",
1040
- "__class__": "FontEntry"
1041
- },
1042
- {
1043
- "fname": "fonts/ttf/cmss10.ttf",
1044
- "name": "cmss10",
1045
- "style": "normal",
1046
- "variant": "normal",
1047
- "weight": 400,
1048
- "stretch": "normal",
1049
- "size": "scalable",
1050
- "__class__": "FontEntry"
1051
- },
1052
- {
1053
- "fname": "fonts/ttf/DejaVuSansMono-Bold.ttf",
1054
- "name": "DejaVu Sans Mono",
1055
- "style": "normal",
1056
- "variant": "normal",
1057
- "weight": 700,
1058
- "stretch": "normal",
1059
- "size": "scalable",
1060
- "__class__": "FontEntry"
1061
- },
1062
- {
1063
- "fname": "fonts/ttf/DejaVuSerif-BoldItalic.ttf",
1064
- "name": "DejaVu Serif",
1065
- "style": "italic",
1066
- "variant": "normal",
1067
- "weight": 700,
1068
- "stretch": "normal",
1069
- "size": "scalable",
1070
- "__class__": "FontEntry"
1071
- },
1072
- {
1073
- "fname": "fonts/ttf/cmtt10.ttf",
1074
- "name": "cmtt10",
1075
- "style": "normal",
1076
- "variant": "normal",
1077
- "weight": 400,
1078
- "stretch": "normal",
1079
- "size": "scalable",
1080
- "__class__": "FontEntry"
1081
- },
1082
- {
1083
- "fname": "fonts/ttf/STIXNonUniBolIta.ttf",
1084
- "name": "STIXNonUnicode",
1085
- "style": "italic",
1086
- "variant": "normal",
1087
- "weight": 700,
1088
- "stretch": "normal",
1089
- "size": "scalable",
1090
- "__class__": "FontEntry"
1091
- },
1092
- {
1093
- "fname": "fonts/ttf/STIXSizFourSymBol.ttf",
1094
- "name": "STIXSizeFourSym",
1095
- "style": "normal",
1096
- "variant": "normal",
1097
- "weight": 700,
1098
- "stretch": "normal",
1099
- "size": "scalable",
1100
- "__class__": "FontEntry"
1101
- },
1102
- {
1103
- "fname": "fonts/ttf/STIXSizTwoSymReg.ttf",
1104
- "name": "STIXSizeTwoSym",
1105
- "style": "normal",
1106
- "variant": "normal",
1107
- "weight": 400,
1108
- "stretch": "normal",
1109
- "size": "scalable",
1110
- "__class__": "FontEntry"
1111
- },
1112
- {
1113
- "fname": "fonts/ttf/DejaVuSansMono-BoldOblique.ttf",
1114
- "name": "DejaVu Sans Mono",
1115
- "style": "oblique",
1116
- "variant": "normal",
1117
- "weight": 700,
1118
- "stretch": "normal",
1119
- "size": "scalable",
1120
- "__class__": "FontEntry"
1121
- },
1122
- {
1123
- "fname": "fonts/ttf/STIXSizThreeSymBol.ttf",
1124
- "name": "STIXSizeThreeSym",
1125
- "style": "normal",
1126
- "variant": "normal",
1127
- "weight": 700,
1128
- "stretch": "normal",
1129
- "size": "scalable",
1130
- "__class__": "FontEntry"
1131
- },
1132
- {
1133
- "fname": "fonts/ttf/DejaVuSans-Bold.ttf",
1134
- "name": "DejaVu Sans",
1135
- "style": "normal",
1136
- "variant": "normal",
1137
- "weight": 700,
1138
- "stretch": "normal",
1139
- "size": "scalable",
1140
- "__class__": "FontEntry"
1141
- },
1142
- {
1143
- "fname": "fonts/ttf/STIXSizOneSymBol.ttf",
1144
- "name": "STIXSizeOneSym",
1145
- "style": "normal",
1146
- "variant": "normal",
1147
- "weight": 700,
1148
- "stretch": "normal",
1149
- "size": "scalable",
1150
- "__class__": "FontEntry"
1151
- },
1152
- {
1153
- "fname": "fonts/ttf/DejaVuSerif.ttf",
1154
- "name": "DejaVu Serif",
1155
- "style": "normal",
1156
- "variant": "normal",
1157
- "weight": 400,
1158
- "stretch": "normal",
1159
- "size": "scalable",
1160
- "__class__": "FontEntry"
1161
- },
1162
- {
1163
- "fname": "fonts/ttf/DejaVuSerif-Italic.ttf",
1164
- "name": "DejaVu Serif",
1165
- "style": "italic",
1166
- "variant": "normal",
1167
- "weight": 400,
1168
- "stretch": "normal",
1169
- "size": "scalable",
1170
- "__class__": "FontEntry"
1171
- },
1172
- {
1173
- "fname": "fonts/ttf/DejaVuSansDisplay.ttf",
1174
- "name": "DejaVu Sans Display",
1175
- "style": "normal",
1176
- "variant": "normal",
1177
- "weight": 400,
1178
- "stretch": "normal",
1179
- "size": "scalable",
1180
- "__class__": "FontEntry"
1181
- },
1182
- {
1183
- "fname": "fonts/ttf/STIXSizOneSymReg.ttf",
1184
- "name": "STIXSizeOneSym",
1185
- "style": "normal",
1186
- "variant": "normal",
1187
- "weight": 400,
1188
- "stretch": "normal",
1189
- "size": "scalable",
1190
- "__class__": "FontEntry"
1191
- },
1192
- {
1193
- "fname": "fonts/ttf/cmex10.ttf",
1194
- "name": "cmex10",
1195
- "style": "normal",
1196
- "variant": "normal",
1197
- "weight": 400,
1198
- "stretch": "normal",
1199
- "size": "scalable",
1200
- "__class__": "FontEntry"
1201
- },
1202
- {
1203
- "fname": "fonts/ttf/DejaVuSansMono.ttf",
1204
- "name": "DejaVu Sans Mono",
1205
- "style": "normal",
1206
- "variant": "normal",
1207
- "weight": 400,
1208
- "stretch": "normal",
1209
- "size": "scalable",
1210
- "__class__": "FontEntry"
1211
- },
1212
- {
1213
- "fname": "fonts/ttf/STIXSizFiveSymReg.ttf",
1214
- "name": "STIXSizeFiveSym",
1215
- "style": "normal",
1216
- "variant": "normal",
1217
- "weight": 400,
1218
- "stretch": "normal",
1219
- "size": "scalable",
1220
- "__class__": "FontEntry"
1221
- },
1222
- {
1223
- "fname": "fonts/ttf/STIXNonUni.ttf",
1224
- "name": "STIXNonUnicode",
1225
- "style": "normal",
1226
- "variant": "normal",
1227
- "weight": 400,
1228
- "stretch": "normal",
1229
- "size": "scalable",
1230
- "__class__": "FontEntry"
1231
- },
1232
- {
1233
- "fname": "fonts/ttf/cmsy10.ttf",
1234
- "name": "cmsy10",
1235
- "style": "normal",
1236
- "variant": "normal",
1237
- "weight": 400,
1238
- "stretch": "normal",
1239
- "size": "scalable",
1240
- "__class__": "FontEntry"
1241
- },
1242
- {
1243
- "fname": "fonts/ttf/STIXNonUniIta.ttf",
1244
- "name": "STIXNonUnicode",
1245
- "style": "italic",
1246
- "variant": "normal",
1247
- "weight": 400,
1248
- "stretch": "normal",
1249
- "size": "scalable",
1250
- "__class__": "FontEntry"
1251
- },
1252
- {
1253
- "fname": "fonts/ttf/STIXSizThreeSymReg.ttf",
1254
- "name": "STIXSizeThreeSym",
1255
- "style": "normal",
1256
- "variant": "normal",
1257
- "weight": 400,
1258
- "stretch": "normal",
1259
- "size": "scalable",
1260
- "__class__": "FontEntry"
1261
- },
1262
- {
1263
- "fname": "fonts/ttf/cmmi10.ttf",
1264
- "name": "cmmi10",
1265
- "style": "normal",
1266
- "variant": "normal",
1267
- "weight": 400,
1268
- "stretch": "normal",
1269
- "size": "scalable",
1270
- "__class__": "FontEntry"
1271
- },
1272
- {
1273
- "fname": "fonts/ttf/DejaVuSansMono-Oblique.ttf",
1274
- "name": "DejaVu Sans Mono",
1275
- "style": "oblique",
1276
- "variant": "normal",
1277
- "weight": 400,
1278
- "stretch": "normal",
1279
- "size": "scalable",
1280
- "__class__": "FontEntry"
1281
- },
1282
- {
1283
- "fname": "fonts/ttf/DejaVuSans.ttf",
1284
- "name": "DejaVu Sans",
1285
- "style": "normal",
1286
- "variant": "normal",
1287
- "weight": 400,
1288
- "stretch": "normal",
1289
- "size": "scalable",
1290
- "__class__": "FontEntry"
1291
- },
1292
- {
1293
- "fname": "fonts/ttf/DejaVuSerif-Bold.ttf",
1294
- "name": "DejaVu Serif",
1295
- "style": "normal",
1296
- "variant": "normal",
1297
- "weight": 700,
1298
- "stretch": "normal",
1299
- "size": "scalable",
1300
- "__class__": "FontEntry"
1301
- },
1302
- {
1303
- "fname": "fonts/ttf/STIXGeneralBolIta.ttf",
1304
- "name": "STIXGeneral",
1305
- "style": "italic",
1306
- "variant": "normal",
1307
- "weight": 700,
1308
- "stretch": "normal",
1309
- "size": "scalable",
1310
- "__class__": "FontEntry"
1311
- },
1312
- {
1313
- "fname": "fonts/ttf/DejaVuSerifDisplay.ttf",
1314
- "name": "DejaVu Serif Display",
1315
- "style": "normal",
1316
- "variant": "normal",
1317
- "weight": 400,
1318
- "stretch": "normal",
1319
- "size": "scalable",
1320
- "__class__": "FontEntry"
1321
- },
1322
- {
1323
- "fname": "fonts/ttf/STIXSizTwoSymBol.ttf",
1324
- "name": "STIXSizeTwoSym",
1325
- "style": "normal",
1326
- "variant": "normal",
1327
- "weight": 700,
1328
- "stretch": "normal",
1329
- "size": "scalable",
1330
- "__class__": "FontEntry"
1331
- },
1332
- {
1333
- "fname": "fonts/ttf/STIXGeneral.ttf",
1334
- "name": "STIXGeneral",
1335
- "style": "normal",
1336
- "variant": "normal",
1337
- "weight": 400,
1338
- "stretch": "normal",
1339
- "size": "scalable",
1340
- "__class__": "FontEntry"
1341
- },
1342
- {
1343
- "fname": "/usr/share/fonts/google-droid/DroidSansHebrew-Regular.ttf",
1344
- "name": "Droid Sans Hebrew",
1345
- "style": "normal",
1346
- "variant": "normal",
1347
- "weight": 400,
1348
- "stretch": "normal",
1349
- "size": "scalable",
1350
- "__class__": "FontEntry"
1351
- },
1352
- {
1353
- "fname": "/usr/share/fonts/urw-base35/URWGothic-Book.otf",
1354
- "name": "URW Gothic",
1355
- "style": "normal",
1356
- "variant": "normal",
1357
- "weight": 400,
1358
- "stretch": "normal",
1359
- "size": "scalable",
1360
- "__class__": "FontEntry"
1361
- },
1362
- {
1363
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-Regular.ttf",
1364
- "name": "Source Sans 3",
1365
- "style": "normal",
1366
- "variant": "normal",
1367
- "weight": 400,
1368
- "stretch": "normal",
1369
- "size": "scalable",
1370
- "__class__": "FontEntry"
1371
- },
1372
- {
1373
- "fname": "/usr/share/fonts/urw-base35/NimbusSans-Regular.otf",
1374
- "name": "Nimbus Sans",
1375
- "style": "normal",
1376
- "variant": "normal",
1377
- "weight": 400,
1378
- "stretch": "normal",
1379
- "size": "scalable",
1380
- "__class__": "FontEntry"
1381
- },
1382
- {
1383
- "fname": "/camp/home/johnsoe/.fonts/FreeSerif.ttf",
1384
- "name": "FreeSerif",
1385
- "style": "normal",
1386
- "variant": "normal",
1387
- "weight": 400,
1388
- "stretch": "normal",
1389
- "size": "scalable",
1390
- "__class__": "FontEntry"
1391
- },
1392
- {
1393
- "fname": "/camp/home/johnsoe/.fonts/FreeMonoBold.ttf",
1394
- "name": "FreeMono",
1395
- "style": "normal",
1396
- "variant": "normal",
1397
- "weight": 700,
1398
- "stretch": "normal",
1399
- "size": "scalable",
1400
- "__class__": "FontEntry"
1401
- },
1402
- {
1403
- "fname": "/usr/share/fonts/abattis-cantarell/Cantarell-Oblique.otf",
1404
- "name": "Cantarell",
1405
- "style": "oblique",
1406
- "variant": "normal",
1407
- "weight": 400,
1408
- "stretch": "normal",
1409
- "size": "scalable",
1410
- "__class__": "FontEntry"
1411
- },
1412
- {
1413
- "fname": "/usr/share/fonts/urw-base35/NimbusMonoPS-Bold.otf",
1414
- "name": "Nimbus Mono PS",
1415
- "style": "normal",
1416
- "variant": "normal",
1417
- "weight": 700,
1418
- "stretch": "normal",
1419
- "size": "scalable",
1420
- "__class__": "FontEntry"
1421
- },
1422
- {
1423
- "fname": "/usr/share/fonts/google-droid/DroidSansThai.ttf",
1424
- "name": "Droid Sans Thai",
1425
- "style": "normal",
1426
- "variant": "normal",
1427
- "weight": 400,
1428
- "stretch": "normal",
1429
- "size": "scalable",
1430
- "__class__": "FontEntry"
1431
- },
1432
- {
1433
- "fname": "/camp/home/johnsoe/.fonts/FreeSans.ttf",
1434
- "name": "FreeSans",
1435
- "style": "normal",
1436
- "variant": "normal",
1437
- "weight": 400,
1438
- "stretch": "normal",
1439
- "size": "scalable",
1440
- "__class__": "FontEntry"
1441
- },
1442
- {
1443
- "fname": "/usr/share/fonts/google-droid/DroidSansHebrew-Bold.ttf",
1444
- "name": "Droid Sans Hebrew",
1445
- "style": "normal",
1446
- "variant": "normal",
1447
- "weight": 600,
1448
- "stretch": "normal",
1449
- "size": "scalable",
1450
- "__class__": "FontEntry"
1451
- },
1452
- {
1453
- "fname": "/camp/home/johnsoe/.fonts/FreeMonoBoldOblique.ttf",
1454
- "name": "FreeMono",
1455
- "style": "oblique",
1456
- "variant": "normal",
1457
- "weight": 700,
1458
- "stretch": "normal",
1459
- "size": "scalable",
1460
- "__class__": "FontEntry"
1461
- },
1462
- {
1463
- "fname": "/usr/share/fonts/google-droid/DroidSansTamil-Bold.ttf",
1464
- "name": "Droid Sans Tamil",
1465
- "style": "normal",
1466
- "variant": "normal",
1467
- "weight": 700,
1468
- "stretch": "normal",
1469
- "size": "scalable",
1470
- "__class__": "FontEntry"
1471
- },
1472
- {
1473
- "fname": "/usr/share/fonts/urw-base35/NimbusMonoPS-Regular.otf",
1474
- "name": "Nimbus Mono PS",
1475
- "style": "normal",
1476
- "variant": "normal",
1477
- "weight": 400,
1478
- "stretch": "normal",
1479
- "size": "scalable",
1480
- "__class__": "FontEntry"
1481
- },
1482
- {
1483
- "fname": "/usr/share/fonts/urw-base35/URWGothic-Demi.otf",
1484
- "name": "URW Gothic",
1485
- "style": "normal",
1486
- "variant": "normal",
1487
- "weight": 600,
1488
- "stretch": "normal",
1489
- "size": "scalable",
1490
- "__class__": "FontEntry"
1491
- },
1492
- {
1493
- "fname": "/usr/share/fonts/dejavu/DejaVuSansMono-BoldOblique.ttf",
1494
- "name": "DejaVu Sans Mono",
1495
- "style": "oblique",
1496
- "variant": "normal",
1497
- "weight": 700,
1498
- "stretch": "normal",
1499
- "size": "scalable",
1500
- "__class__": "FontEntry"
1501
- },
1502
- {
1503
- "fname": "/camp/home/johnsoe/.fonts/FreeMono.ttf",
1504
- "name": "FreeMono",
1505
- "style": "normal",
1506
- "variant": "normal",
1507
- "weight": 400,
1508
- "stretch": "normal",
1509
- "size": "scalable",
1510
- "__class__": "FontEntry"
1511
- },
1512
- {
1513
- "fname": "/usr/share/fonts/google-droid/DroidSansArabic.ttf",
1514
- "name": "Droid Sans Arabic",
1515
- "style": "normal",
1516
- "variant": "normal",
1517
- "weight": 400,
1518
- "stretch": "normal",
1519
- "size": "scalable",
1520
- "__class__": "FontEntry"
1521
- },
1522
- {
1523
- "fname": "/usr/share/fonts/urw-base35/NimbusSansNarrow-Oblique.otf",
1524
- "name": "Nimbus Sans Narrow",
1525
- "style": "oblique",
1526
- "variant": "normal",
1527
- "weight": 400,
1528
- "stretch": "condensed",
1529
- "size": "scalable",
1530
- "__class__": "FontEntry"
1531
- },
1532
- {
1533
- "fname": "/usr/share/fonts/urw-base35/P052-Roman.otf",
1534
- "name": "P052",
1535
- "style": "normal",
1536
- "variant": "normal",
1537
- "weight": 400,
1538
- "stretch": "normal",
1539
- "size": "scalable",
1540
- "__class__": "FontEntry"
1541
- },
1542
- {
1543
- "fname": "/usr/share/fonts/urw-base35/URWBookman-Light.otf",
1544
- "name": "URW Bookman",
1545
- "style": "normal",
1546
- "variant": "normal",
1547
- "weight": 300,
1548
- "stretch": "normal",
1549
- "size": "scalable",
1550
- "__class__": "FontEntry"
1551
- },
1552
- {
1553
- "fname": "/usr/share/fonts/google-droid/DroidSans.ttf",
1554
- "name": "Droid Sans",
1555
- "style": "normal",
1556
- "variant": "normal",
1557
- "weight": 400,
1558
- "stretch": "normal",
1559
- "size": "scalable",
1560
- "__class__": "FontEntry"
1561
- },
1562
- {
1563
- "fname": "/usr/share/fonts/google-droid/DroidSansDevanagari-Regular.ttf",
1564
- "name": "Droid Sans Devanagari",
1565
- "style": "normal",
1566
- "variant": "normal",
1567
- "weight": 400,
1568
- "stretch": "normal",
1569
- "size": "scalable",
1570
- "__class__": "FontEntry"
1571
- },
1572
- {
1573
- "fname": "/usr/share/fonts/urw-base35/C059-BdIta.otf",
1574
- "name": "C059",
1575
- "style": "italic",
1576
- "variant": "normal",
1577
- "weight": 700,
1578
- "stretch": "normal",
1579
- "size": "scalable",
1580
- "__class__": "FontEntry"
1581
- },
1582
- {
1583
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-ExtraLight.ttf",
1584
- "name": "Source Sans 3",
1585
- "style": "normal",
1586
- "variant": "normal",
1587
- "weight": 200,
1588
- "stretch": "normal",
1589
- "size": "scalable",
1590
- "__class__": "FontEntry"
1591
- },
1592
- {
1593
- "fname": "/usr/share/fonts/urw-base35/D050000L.otf",
1594
- "name": "D050000L",
1595
- "style": "normal",
1596
- "variant": "normal",
1597
- "weight": 400,
1598
- "stretch": "normal",
1599
- "size": "scalable",
1600
- "__class__": "FontEntry"
1601
- },
1602
- {
1603
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-Semibold.ttf",
1604
- "name": "Source Sans 3",
1605
- "style": "normal",
1606
- "variant": "normal",
1607
- "weight": 600,
1608
- "stretch": "normal",
1609
- "size": "scalable",
1610
- "__class__": "FontEntry"
1611
- },
1612
- {
1613
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-It.ttf",
1614
- "name": "Source Sans 3",
1615
- "style": "italic",
1616
- "variant": "normal",
1617
- "weight": 400,
1618
- "stretch": "normal",
1619
- "size": "scalable",
1620
- "__class__": "FontEntry"
1621
- },
1622
- {
1623
- "fname": "/usr/share/fonts/dejavu/DejaVuSansMono.ttf",
1624
- "name": "DejaVu Sans Mono",
1625
- "style": "normal",
1626
- "variant": "normal",
1627
- "weight": 400,
1628
- "stretch": "normal",
1629
- "size": "scalable",
1630
- "__class__": "FontEntry"
1631
- },
1632
- {
1633
- "fname": "/usr/share/fonts/urw-base35/URWGothic-BookOblique.otf",
1634
- "name": "URW Gothic",
1635
- "style": "oblique",
1636
- "variant": "normal",
1637
- "weight": 400,
1638
- "stretch": "normal",
1639
- "size": "scalable",
1640
- "__class__": "FontEntry"
1641
- },
1642
- {
1643
- "fname": "/usr/share/fonts/urw-base35/NimbusRoman-Bold.otf",
1644
- "name": "Nimbus Roman",
1645
- "style": "normal",
1646
- "variant": "normal",
1647
- "weight": 700,
1648
- "stretch": "normal",
1649
- "size": "scalable",
1650
- "__class__": "FontEntry"
1651
- },
1652
- {
1653
- "fname": "/usr/share/fonts/google-droid/DroidSansFallback.ttf",
1654
- "name": "Droid Sans Fallback",
1655
- "style": "normal",
1656
- "variant": "normal",
1657
- "weight": 400,
1658
- "stretch": "normal",
1659
- "size": "scalable",
1660
- "__class__": "FontEntry"
1661
- },
1662
- {
1663
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-BlackIt.ttf",
1664
- "name": "Source Sans 3",
1665
- "style": "italic",
1666
- "variant": "normal",
1667
- "weight": 900,
1668
- "stretch": "normal",
1669
- "size": "scalable",
1670
- "__class__": "FontEntry"
1671
- },
1672
- {
1673
- "fname": "/usr/share/fonts/abattis-cantarell/Cantarell-Bold.otf",
1674
- "name": "Cantarell",
1675
- "style": "normal",
1676
- "variant": "normal",
1677
- "weight": 700,
1678
- "stretch": "normal",
1679
- "size": "scalable",
1680
- "__class__": "FontEntry"
1681
- },
1682
- {
1683
- "fname": "/usr/share/fonts/google-droid/DroidSansEthiopic-Regular.ttf",
1684
- "name": "Droid Sans Ethiopic",
1685
- "style": "normal",
1686
- "variant": "normal",
1687
- "weight": 400,
1688
- "stretch": "normal",
1689
- "size": "scalable",
1690
- "__class__": "FontEntry"
1691
- },
1692
- {
1693
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-ExtraLightIt.ttf",
1694
- "name": "Source Sans 3",
1695
- "style": "italic",
1696
- "variant": "normal",
1697
- "weight": 200,
1698
- "stretch": "normal",
1699
- "size": "scalable",
1700
- "__class__": "FontEntry"
1701
- },
1702
- {
1703
- "fname": "/usr/share/fonts/urw-base35/NimbusSans-BoldItalic.otf",
1704
- "name": "Nimbus Sans",
1705
- "style": "italic",
1706
- "variant": "normal",
1707
- "weight": 700,
1708
- "stretch": "normal",
1709
- "size": "scalable",
1710
- "__class__": "FontEntry"
1711
- },
1712
- {
1713
- "fname": "/usr/share/fonts/google-droid/DroidSansTamil-Regular.ttf",
1714
- "name": "Droid Sans Tamil",
1715
- "style": "normal",
1716
- "variant": "normal",
1717
- "weight": 400,
1718
- "stretch": "normal",
1719
- "size": "scalable",
1720
- "__class__": "FontEntry"
1721
- },
1722
- {
1723
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-BoldIt.ttf",
1724
- "name": "Source Sans 3",
1725
- "style": "italic",
1726
- "variant": "normal",
1727
- "weight": 700,
1728
- "stretch": "normal",
1729
- "size": "scalable",
1730
- "__class__": "FontEntry"
1731
- },
1732
- {
1733
- "fname": "/usr/share/fonts/abattis-cantarell/Cantarell-Regular.otf",
1734
- "name": "Cantarell",
1735
- "style": "normal",
1736
- "variant": "normal",
1737
- "weight": 400,
1738
- "stretch": "normal",
1739
- "size": "scalable",
1740
- "__class__": "FontEntry"
1741
- },
1742
- {
1743
- "fname": "/usr/share/fonts/urw-base35/URWGothic-DemiOblique.otf",
1744
- "name": "URW Gothic",
1745
- "style": "oblique",
1746
- "variant": "normal",
1747
- "weight": 600,
1748
- "stretch": "normal",
1749
- "size": "scalable",
1750
- "__class__": "FontEntry"
1751
- },
1752
- {
1753
- "fname": "/usr/share/fonts/urw-base35/C059-Italic.otf",
1754
- "name": "C059",
1755
- "style": "italic",
1756
- "variant": "normal",
1757
- "weight": 400,
1758
- "stretch": "normal",
1759
- "size": "scalable",
1760
- "__class__": "FontEntry"
1761
- },
1762
- {
1763
- "fname": "/usr/share/fonts/urw-base35/P052-Bold.otf",
1764
- "name": "P052",
1765
- "style": "normal",
1766
- "variant": "normal",
1767
- "weight": 700,
1768
- "stretch": "normal",
1769
- "size": "scalable",
1770
- "__class__": "FontEntry"
1771
- },
1772
- {
1773
- "fname": "/usr/share/fonts/urw-base35/NimbusSans-Italic.otf",
1774
- "name": "Nimbus Sans",
1775
- "style": "italic",
1776
- "variant": "normal",
1777
- "weight": 400,
1778
- "stretch": "normal",
1779
- "size": "scalable",
1780
- "__class__": "FontEntry"
1781
- },
1782
- {
1783
- "fname": "/usr/share/fonts/urw-base35/P052-BoldItalic.otf",
1784
- "name": "P052",
1785
- "style": "italic",
1786
- "variant": "normal",
1787
- "weight": 700,
1788
- "stretch": "normal",
1789
- "size": "scalable",
1790
- "__class__": "FontEntry"
1791
- },
1792
- {
1793
- "fname": "/usr/share/fonts/urw-base35/NimbusSans-Bold.otf",
1794
- "name": "Nimbus Sans",
1795
- "style": "normal",
1796
- "variant": "normal",
1797
- "weight": 700,
1798
- "stretch": "normal",
1799
- "size": "scalable",
1800
- "__class__": "FontEntry"
1801
- },
1802
- {
1803
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-SemiboldIt.ttf",
1804
- "name": "Source Sans 3",
1805
- "style": "italic",
1806
- "variant": "normal",
1807
- "weight": 600,
1808
- "stretch": "normal",
1809
- "size": "scalable",
1810
- "__class__": "FontEntry"
1811
- },
1812
- {
1813
- "fname": "/usr/share/fonts/urw-base35/URWBookman-DemiItalic.otf",
1814
- "name": "URW Bookman",
1815
- "style": "italic",
1816
- "variant": "normal",
1817
- "weight": 600,
1818
- "stretch": "normal",
1819
- "size": "scalable",
1820
- "__class__": "FontEntry"
1821
- },
1822
- {
1823
- "fname": "/camp/home/johnsoe/.fonts/FreeSansBold.ttf",
1824
- "name": "FreeSans",
1825
- "style": "normal",
1826
- "variant": "normal",
1827
- "weight": 600,
1828
- "stretch": "normal",
1829
- "size": "scalable",
1830
- "__class__": "FontEntry"
1831
- },
1832
- {
1833
- "fname": "/usr/share/fonts/google-droid/DroidSansGeorgian.ttf",
1834
- "name": "Droid Sans Georgian",
1835
- "style": "normal",
1836
- "variant": "normal",
1837
- "weight": 400,
1838
- "stretch": "normal",
1839
- "size": "scalable",
1840
- "__class__": "FontEntry"
1841
- },
1842
- {
1843
- "fname": "/usr/share/fonts/urw-base35/NimbusRoman-Italic.otf",
1844
- "name": "Nimbus Roman",
1845
- "style": "italic",
1846
- "variant": "normal",
1847
- "weight": 400,
1848
- "stretch": "normal",
1849
- "size": "scalable",
1850
- "__class__": "FontEntry"
1851
- },
1852
- {
1853
- "fname": "/usr/share/fonts/urw-base35/NimbusSansNarrow-Regular.otf",
1854
- "name": "Nimbus Sans Narrow",
1855
- "style": "normal",
1856
- "variant": "normal",
1857
- "weight": 400,
1858
- "stretch": "condensed",
1859
- "size": "scalable",
1860
- "__class__": "FontEntry"
1861
- },
1862
- {
1863
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-MediumIt.ttf",
1864
- "name": "Source Sans 3",
1865
- "style": "italic",
1866
- "variant": "normal",
1867
- "weight": 500,
1868
- "stretch": "normal",
1869
- "size": "scalable",
1870
- "__class__": "FontEntry"
1871
- },
1872
- {
1873
- "fname": "/usr/share/fonts/urw-base35/NimbusRoman-Regular.otf",
1874
- "name": "Nimbus Roman",
1875
- "style": "normal",
1876
- "variant": "normal",
1877
- "weight": 400,
1878
- "stretch": "normal",
1879
- "size": "scalable",
1880
- "__class__": "FontEntry"
1881
- },
1882
- {
1883
- "fname": "/usr/share/fonts/urw-base35/URWBookman-Demi.otf",
1884
- "name": "URW Bookman",
1885
- "style": "normal",
1886
- "variant": "normal",
1887
- "weight": 600,
1888
- "stretch": "normal",
1889
- "size": "scalable",
1890
- "__class__": "FontEntry"
1891
- },
1892
- {
1893
- "fname": "/usr/share/fonts/abattis-cantarell/Cantarell-BoldOblique.otf",
1894
- "name": "Cantarell",
1895
- "style": "oblique",
1896
- "variant": "normal",
1897
- "weight": 700,
1898
- "stretch": "normal",
1899
- "size": "scalable",
1900
- "__class__": "FontEntry"
1901
- },
1902
- {
1903
- "fname": "/usr/share/fonts/google-droid/DroidSansArmenian.ttf",
1904
- "name": "Droid Sans Armenian",
1905
- "style": "normal",
1906
- "variant": "normal",
1907
- "weight": 400,
1908
- "stretch": "normal",
1909
- "size": "scalable",
1910
- "__class__": "FontEntry"
1911
- },
1912
- {
1913
- "fname": "/usr/share/fonts/urw-base35/NimbusSansNarrow-Bold.otf",
1914
- "name": "Nimbus Sans Narrow",
1915
- "style": "normal",
1916
- "variant": "normal",
1917
- "weight": 700,
1918
- "stretch": "condensed",
1919
- "size": "scalable",
1920
- "__class__": "FontEntry"
1921
- },
1922
- {
1923
- "fname": "/usr/share/fonts/urw-base35/P052-Italic.otf",
1924
- "name": "P052",
1925
- "style": "italic",
1926
- "variant": "normal",
1927
- "weight": 400,
1928
- "stretch": "normal",
1929
- "size": "scalable",
1930
- "__class__": "FontEntry"
1931
- },
1932
- {
1933
- "fname": "/usr/share/fonts/urw-base35/URWBookman-LightItalic.otf",
1934
- "name": "URW Bookman",
1935
- "style": "italic",
1936
- "variant": "normal",
1937
- "weight": 300,
1938
- "stretch": "normal",
1939
- "size": "scalable",
1940
- "__class__": "FontEntry"
1941
- },
1942
- {
1943
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-Black.ttf",
1944
- "name": "Source Sans 3",
1945
- "style": "normal",
1946
- "variant": "normal",
1947
- "weight": 900,
1948
- "stretch": "normal",
1949
- "size": "scalable",
1950
- "__class__": "FontEntry"
1951
- },
1952
- {
1953
- "fname": "/usr/share/fonts/dejavu/DejaVuSansMono-Bold.ttf",
1954
- "name": "DejaVu Sans Mono",
1955
- "style": "normal",
1956
- "variant": "normal",
1957
- "weight": 700,
1958
- "stretch": "normal",
1959
- "size": "scalable",
1960
- "__class__": "FontEntry"
1961
- },
1962
- {
1963
- "fname": "/camp/home/johnsoe/.fonts/FreeSansOblique.ttf",
1964
- "name": "FreeSans",
1965
- "style": "oblique",
1966
- "variant": "normal",
1967
- "weight": 400,
1968
- "stretch": "normal",
1969
- "size": "scalable",
1970
- "__class__": "FontEntry"
1971
- },
1972
- {
1973
- "fname": "/camp/home/johnsoe/.fonts/FreeSerifBold.ttf",
1974
- "name": "FreeSerif",
1975
- "style": "normal",
1976
- "variant": "normal",
1977
- "weight": 700,
1978
- "stretch": "normal",
1979
- "size": "scalable",
1980
- "__class__": "FontEntry"
1981
- },
1982
- {
1983
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-LightIt.ttf",
1984
- "name": "Source Sans 3",
1985
- "style": "italic",
1986
- "variant": "normal",
1987
- "weight": 300,
1988
- "stretch": "normal",
1989
- "size": "scalable",
1990
- "__class__": "FontEntry"
1991
- },
1992
- {
1993
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-Bold.ttf",
1994
- "name": "Source Sans 3",
1995
- "style": "normal",
1996
- "variant": "normal",
1997
- "weight": 700,
1998
- "stretch": "normal",
1999
- "size": "scalable",
2000
- "__class__": "FontEntry"
2001
- },
2002
- {
2003
- "fname": "/usr/share/fonts/urw-base35/C059-Bold.otf",
2004
- "name": "C059",
2005
- "style": "normal",
2006
- "variant": "normal",
2007
- "weight": 700,
2008
- "stretch": "normal",
2009
- "size": "scalable",
2010
- "__class__": "FontEntry"
2011
- },
2012
- {
2013
- "fname": "/camp/home/johnsoe/.fonts/FreeSerifItalic.ttf",
2014
- "name": "FreeSerif",
2015
- "style": "italic",
2016
- "variant": "normal",
2017
- "weight": 400,
2018
- "stretch": "normal",
2019
- "size": "scalable",
2020
- "__class__": "FontEntry"
2021
- },
2022
- {
2023
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-Medium.ttf",
2024
- "name": "Source Sans 3",
2025
- "style": "normal",
2026
- "variant": "normal",
2027
- "weight": 500,
2028
- "stretch": "normal",
2029
- "size": "scalable",
2030
- "__class__": "FontEntry"
2031
- },
2032
- {
2033
- "fname": "/camp/home/johnsoe/.fonts/SourceSans3-Light.ttf",
2034
- "name": "Source Sans 3",
2035
- "style": "normal",
2036
- "variant": "normal",
2037
- "weight": 300,
2038
- "stretch": "normal",
2039
- "size": "scalable",
2040
- "__class__": "FontEntry"
2041
- },
2042
- {
2043
- "fname": "/camp/home/johnsoe/.fonts/FreeSerifBoldItalic.ttf",
2044
- "name": "FreeSerif",
2045
- "style": "italic",
2046
- "variant": "normal",
2047
- "weight": 700,
2048
- "stretch": "normal",
2049
- "size": "scalable",
2050
- "__class__": "FontEntry"
2051
- },
2052
- {
2053
- "fname": "/usr/share/fonts/urw-base35/NimbusSansNarrow-BoldOblique.otf",
2054
- "name": "Nimbus Sans Narrow",
2055
- "style": "oblique",
2056
- "variant": "normal",
2057
- "weight": 700,
2058
- "stretch": "condensed",
2059
- "size": "scalable",
2060
- "__class__": "FontEntry"
2061
- },
2062
- {
2063
- "fname": "/usr/share/fonts/urw-base35/NimbusMonoPS-Italic.otf",
2064
- "name": "Nimbus Mono PS",
2065
- "style": "italic",
2066
- "variant": "normal",
2067
- "weight": 400,
2068
- "stretch": "normal",
2069
- "size": "scalable",
2070
- "__class__": "FontEntry"
2071
- },
2072
- {
2073
- "fname": "/usr/share/fonts/google-droid/DroidSansEthiopic-Bold.ttf",
2074
- "name": "Droid Sans Ethiopic",
2075
- "style": "normal",
2076
- "variant": "normal",
2077
- "weight": 700,
2078
- "stretch": "normal",
2079
- "size": "scalable",
2080
- "__class__": "FontEntry"
2081
- },
2082
- {
2083
- "fname": "/camp/home/johnsoe/.fonts/FreeMonoOblique.ttf",
2084
- "name": "FreeMono",
2085
- "style": "oblique",
2086
- "variant": "normal",
2087
- "weight": 400,
2088
- "stretch": "normal",
2089
- "size": "scalable",
2090
- "__class__": "FontEntry"
2091
- },
2092
- {
2093
- "fname": "/usr/share/fonts/dejavu/DejaVuSansMono-Oblique.ttf",
2094
- "name": "DejaVu Sans Mono",
2095
- "style": "oblique",
2096
- "variant": "normal",
2097
- "weight": 400,
2098
- "stretch": "normal",
2099
- "size": "scalable",
2100
- "__class__": "FontEntry"
2101
- },
2102
- {
2103
- "fname": "/usr/share/fonts/urw-base35/Z003-MediumItalic.otf",
2104
- "name": "Z003",
2105
- "style": "italic",
2106
- "variant": "normal",
2107
- "weight": 500,
2108
- "stretch": "normal",
2109
- "size": "scalable",
2110
- "__class__": "FontEntry"
2111
- },
2112
- {
2113
- "fname": "/usr/share/fonts/urw-base35/NimbusRoman-BoldItalic.otf",
2114
- "name": "Nimbus Roman",
2115
- "style": "italic",
2116
- "variant": "normal",
2117
- "weight": 700,
2118
- "stretch": "normal",
2119
- "size": "scalable",
2120
- "__class__": "FontEntry"
2121
- },
2122
- {
2123
- "fname": "/camp/home/johnsoe/.fonts/FreeSansBoldOblique.ttf",
2124
- "name": "FreeSans",
2125
- "style": "oblique",
2126
- "variant": "normal",
2127
- "weight": 600,
2128
- "stretch": "normal",
2129
- "size": "scalable",
2130
- "__class__": "FontEntry"
2131
- },
2132
- {
2133
- "fname": "/usr/share/fonts/google-droid/DroidSans-Bold.ttf",
2134
- "name": "Droid Sans",
2135
- "style": "normal",
2136
- "variant": "normal",
2137
- "weight": 700,
2138
- "stretch": "normal",
2139
- "size": "scalable",
2140
- "__class__": "FontEntry"
2141
- },
2142
- {
2143
- "fname": "/usr/share/fonts/google-droid/DroidSansJapanese.ttf",
2144
- "name": "Droid Sans Japanese",
2145
- "style": "normal",
2146
- "variant": "normal",
2147
- "weight": 400,
2148
- "stretch": "normal",
2149
- "size": "scalable",
2150
- "__class__": "FontEntry"
2151
- },
2152
- {
2153
- "fname": "/usr/share/fonts/urw-base35/NimbusMonoPS-BoldItalic.otf",
2154
- "name": "Nimbus Mono PS",
2155
- "style": "italic",
2156
- "variant": "normal",
2157
- "weight": 700,
2158
- "stretch": "normal",
2159
- "size": "scalable",
2160
- "__class__": "FontEntry"
2161
- },
2162
- {
2163
- "fname": "/usr/share/fonts/urw-base35/C059-Roman.otf",
2164
- "name": "C059",
2165
- "style": "normal",
2166
- "variant": "normal",
2167
- "weight": 400,
2168
- "stretch": "normal",
2169
- "size": "scalable",
2170
- "__class__": "FontEntry"
2171
- }
2172
- ],
2173
- "__class__": "FontManager"
2174
- }
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
data/repos.json CHANGED
@@ -1,16 +1,4 @@
1
  {
2
- "species": {
3
- "Acinetobacter baumannii": "hf://scbirlab/spark-dv-2503-abau",
4
- "Brucella abortus": "hf://scbirlab/spark-dv-2503-babo",
5
- "Escherichia coli": "hf://scbirlab/spark-dv-2503-ecol",
6
- "Francisella tularensis": "hf://scbirlab/spark-dv-2503-ftul",
7
- "Klebsiella pneumoniae": "hf://scbirlab/spark-dv-2503-kpne",
8
- "Pseudomonas aeruginosa": "hf://scbirlab/spark-dv-2503-paer",
9
- "Staphylococcus aureus": "hf://scbirlab/spark-dv-2503-saur",
10
- "Streptococcus pneumoniae": "hf://scbirlab/spark-dv-2503-spne",
11
- "Yersinia enterocolitica": "hf://scbirlab/spark-dv-2503-yent",
12
- "Yersinia pestis": "hf://scbirlab/spark-dv-2503-ypes"
13
- },
14
  "models": {
15
  "Wild type": "hf://scbirlab/spark-dv-2510-wt"
16
  }
 
1
  {
 
 
 
 
 
 
 
 
 
 
 
 
2
  "models": {
3
  "Wild type": "hf://scbirlab/spark-dv-2510-wt"
4
  }
demo/utils/config.py CHANGED
@@ -4,7 +4,11 @@ CACHE = "./cache"
4
  import csv
5
  import json
6
  import os
 
7
  import sys
 
 
 
8
  os.environ["XDG_CACHE_HOME"] = CACHE
9
  os.environ["HF_HOME"] = CACHE
10
  os.environ["DUVIDNN_CACHE"] = CACHE
@@ -24,17 +28,18 @@ HEADER_FILE = os.path.join("sources", "header.md")
24
  with open(os.path.join("data", "examples", "examples.json"), "r") as f:
25
  EXAMPLES = json.load(f)
26
  with open(os.path.join("data", "repos.json"), "r") as f:
27
- MODEL_REPOS = json.load(f)
 
28
 
29
  with open(os.path.join("data", "species-dropdown.json"), "r") as f:
30
  DROPDOWN = json.load(f)
31
 
 
32
  MODELBOXES = {
33
  key: AutoModelBox.from_pretrained(
34
  val,
35
  cache_dir=CACHE,
36
- )
37
- for key, val in MODEL_REPOS["models"].items()
38
  }
39
  [mb.to(DEVICE) for mb in MODELBOXES.values()]
40
 
 
4
  import csv
5
  import json
6
  import os
7
+ from pathlib import Path
8
  import sys
9
+ CACHE = str(Path(CACHE).expanduser().resolve())
10
+ print(f">>>>>>> {CACHE=}")
11
+ os.makedirs(CACHE, exist_ok=True)
12
  os.environ["XDG_CACHE_HOME"] = CACHE
13
  os.environ["HF_HOME"] = CACHE
14
  os.environ["DUVIDNN_CACHE"] = CACHE
 
28
  with open(os.path.join("data", "examples", "examples.json"), "r") as f:
29
  EXAMPLES = json.load(f)
30
  with open(os.path.join("data", "repos.json"), "r") as f:
31
+ REPOS = json.load(f)
32
+ MODEL_REPOS = REPOS["models"]
33
 
34
  with open(os.path.join("data", "species-dropdown.json"), "r") as f:
35
  DROPDOWN = json.load(f)
36
 
37
+ print(f">>>>>>> {CACHE=}")
38
  MODELBOXES = {
39
  key: AutoModelBox.from_pretrained(
40
  val,
41
  cache_dir=CACHE,
42
+ ) for key, val in MODEL_REPOS.items()
 
43
  }
44
  [mb.to(DEVICE) for mb in MODELBOXES.values()]
45
 
demo/utils/interface.py CHANGED
@@ -94,8 +94,8 @@ def _initial_setup(
94
  ),
95
  "model": _init_dropdown(
96
  label="model for prediction",
97
- choices=list(repos["models"]),
98
- value=list(repos["models"])[0],
99
  ),
100
  "species": _init_dropdown(
101
  label="Species for prediction",
 
94
  ),
95
  "model": _init_dropdown(
96
  label="model for prediction",
97
+ choices=list(repos),
98
+ value=list(repos)[0],
99
  ),
100
  "species": _init_dropdown(
101
  label="Species for prediction",
demo/utils/plots.py CHANGED
@@ -18,7 +18,7 @@ def plot_x_vs_y(
18
  df,
19
  x: str,
20
  y: str,
21
- color: Optional[str] = None,
22
  ):
23
  message = f"Plotting x={x}, y={y}, color={color}..."
24
  gr.Info(message, duration=10)
@@ -28,9 +28,9 @@ def plot_x_vs_y(
28
  if color is not None and color not in cols:
29
  cols.append(color)
30
  cols = list(set(cols))
31
- x_title, df = log10_if_all_positive(df, x)
32
- y_title, df = log10_if_all_positive(df, y)
33
- color_title, df = log10_if_all_positive(df, color)
34
 
35
  return gr.update(
36
  value=df[cols],
 
18
  df,
19
  x: str,
20
  y: str,
21
+ color: Optional[str] = None
22
  ):
23
  message = f"Plotting x={x}, y={y}, color={color}..."
24
  gr.Info(message, duration=10)
 
28
  if color is not None and color not in cols:
29
  cols.append(color)
30
  cols = list(set(cols))
31
+ # x_title, df = log10_if_all_positive(df, x)
32
+ # y_title, df = log10_if_all_positive(df, y)
33
+ # color_title, df = log10_if_all_positive(df, color)
34
 
35
  return gr.update(
36
  value=df[cols],
requirements.txt CHANGED
@@ -1,6 +1,6 @@
1
  --extra-index-url https://download.pytorch.org/whl/cu113
2
  carabiner-tools[pd]>=0.0.5.post3
3
- duvidnn[chem,bio]>=0.0.3
4
  gradio>=6.25.0
5
  nemony
6
  numpy
 
1
  --extra-index-url https://download.pytorch.org/whl/cu113
2
  carabiner-tools[pd]>=0.0.5.post3
3
+ duvidnn[chem,bio]>=0.0.4
4
  gradio>=6.25.0
5
  nemony
6
  numpy