molSimplify 1.7.4__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (651) hide show
  1. docs/source/conf.py +224 -0
  2. molSimplify/Classes/__init__.py +6 -0
  3. molSimplify/Classes/atom3D.py +235 -0
  4. molSimplify/Classes/dft_obs.py +130 -0
  5. molSimplify/Classes/globalvars.py +827 -0
  6. molSimplify/Classes/helpers.py +161 -0
  7. molSimplify/Classes/ligand.py +2330 -0
  8. molSimplify/Classes/mGUI.py +2493 -0
  9. molSimplify/Classes/mWidgets.py +438 -0
  10. molSimplify/Classes/miniGUI.py +41 -0
  11. molSimplify/Classes/mol2D.py +260 -0
  12. molSimplify/Classes/mol3D.py +5846 -0
  13. molSimplify/Classes/monomer3D.py +253 -0
  14. molSimplify/Classes/partialcharges.py +226 -0
  15. molSimplify/Classes/protein3D.py +1178 -0
  16. molSimplify/Classes/rundiag.py +151 -0
  17. molSimplify/Data/ML.dat +212 -0
  18. molSimplify/Data/MLS_FSR_for_inter.dat +23 -0
  19. molSimplify/Data/MLS_FSR_for_inter2.dat +23 -0
  20. molSimplify/Data/MLS_angle_for_click.dat +8 -0
  21. molSimplify/Data/MLS_angle_for_inter.dat +23 -0
  22. molSimplify/Data/MLS_angle_for_inter2.dat +48 -0
  23. molSimplify/Data/MLS_angle_for_intra.dat +10 -0
  24. molSimplify/Data/MLS_angle_for_intra2.dat +6 -0
  25. molSimplify/Data/MLS_angle_for_oa.dat +18 -0
  26. molSimplify/Data/ML_FSR_for_inter.dat +112 -0
  27. molSimplify/Data/ML_FSR_for_inter2.dat +110 -0
  28. molSimplify/Data/ML_bond_for_cat.dat +8 -0
  29. molSimplify/Data/ML_bond_for_click.dat +8 -0
  30. molSimplify/Data/ML_bond_for_inter.dat +48 -0
  31. molSimplify/Data/ML_bond_for_inter2.dat +48 -0
  32. molSimplify/Data/ML_bond_for_intra.dat +10 -0
  33. molSimplify/Data/ML_bond_for_intra2.dat +6 -0
  34. molSimplify/Data/ML_bond_for_oa.dat +18 -0
  35. molSimplify/Data/bp1.dat +21 -0
  36. molSimplify/Data/li.dat +3 -0
  37. molSimplify/Data/no.dat +2 -0
  38. molSimplify/Data/oct.dat +7 -0
  39. molSimplify/Data/pbp.dat +8 -0
  40. molSimplify/Data/spy.dat +6 -0
  41. molSimplify/Data/sqap.dat +9 -0
  42. molSimplify/Data/sqp.dat +5 -0
  43. molSimplify/Data/tbp.dat +6 -0
  44. molSimplify/Data/tdhd.dat +9 -0
  45. molSimplify/Data/thd.dat +5 -0
  46. molSimplify/Data/tpl.dat +4 -0
  47. molSimplify/Data/tpr.dat +7 -0
  48. molSimplify/Informatics/HFXsensitivity/__init__.py +0 -0
  49. molSimplify/Informatics/HFXsensitivity/measure_HFX_sensitivity_oxo_hat_reb_rel.py +443 -0
  50. molSimplify/Informatics/HFXsensitivity/measure_HFX_stable.py +346 -0
  51. molSimplify/Informatics/MOF/Linker_rotation.py +179 -0
  52. molSimplify/Informatics/MOF/MOF_descriptors.py +1299 -0
  53. molSimplify/Informatics/MOF/MOF_descriptors_alternate_functional.py +589 -0
  54. molSimplify/Informatics/MOF/MOF_functionalizer.py +1648 -0
  55. molSimplify/Informatics/MOF/PBC_functions.py +1347 -0
  56. molSimplify/Informatics/MOF/__init__.py +0 -0
  57. molSimplify/Informatics/MOF/atomic.py +267 -0
  58. molSimplify/Informatics/MOF/cluster_extraction.py +388 -0
  59. molSimplify/Informatics/MOF/fragment_MOFs_for_pormake.py +895 -0
  60. molSimplify/Informatics/MOF/monofunctionalized_BDC/index_information.py +10 -0
  61. molSimplify/Informatics/Mol2Parser.py +46 -0
  62. molSimplify/Informatics/RACassemble.py +408 -0
  63. molSimplify/Informatics/__init__.py +0 -0
  64. molSimplify/Informatics/active_learning/__init__.py +0 -0
  65. molSimplify/Informatics/active_learning/expected_improvement.py +269 -0
  66. molSimplify/Informatics/autocorrelation.py +1930 -0
  67. molSimplify/Informatics/clean_autocorrelation.py +778 -0
  68. molSimplify/Informatics/coulomb_analyze.py +67 -0
  69. molSimplify/Informatics/decoration_manager.py +193 -0
  70. molSimplify/Informatics/geo_analyze.py +88 -0
  71. molSimplify/Informatics/geometrics.py +56 -0
  72. molSimplify/Informatics/graph_analyze.py +163 -0
  73. molSimplify/Informatics/graph_racs.py +288 -0
  74. molSimplify/Informatics/jupyter_vis.py +172 -0
  75. molSimplify/Informatics/lacRACAssemble.py +2192 -0
  76. molSimplify/Informatics/lacRACAssemble_bisdithiolenes.py +236 -0
  77. molSimplify/Informatics/misc_descriptors.py +198 -0
  78. molSimplify/Informatics/organic_fingerprints.py +61 -0
  79. molSimplify/Informatics/partialcharges.py +345 -0
  80. molSimplify/Informatics/protein/activesite.py +53 -0
  81. molSimplify/Informatics/protein/pymol_add_hs.py +33 -0
  82. molSimplify/Informatics/rac155_geo.py +48 -0
  83. molSimplify/Ligands/(1_methylbenzimidazol_2_yl)pyridine.xyz +45 -0
  84. molSimplify/Ligands/1-4-dimethyl-1-2-3-triazole.xyz +15 -0
  85. molSimplify/Ligands/12crown4.mol +62 -0
  86. molSimplify/Ligands/Antipyrine.mol +58 -0
  87. molSimplify/Ligands/BPAbipy.mol +106 -0
  88. molSimplify/Ligands/Hpyrrole.mol +26 -0
  89. molSimplify/Ligands/N-quinolinylbutyramidate.xyz +31 -0
  90. molSimplify/Ligands/N-quinolinylmethylmethinylacetamidate.xyz +30 -0
  91. molSimplify/Ligands/NMe2_-1.xyz +11 -0
  92. molSimplify/Ligands/PCy3.mol +111 -0
  93. molSimplify/Ligands/PMe3.xyz +15 -0
  94. molSimplify/Ligands/PPh3.mol +76 -0
  95. molSimplify/Ligands/Propyphenazone.mol +77 -0
  96. molSimplify/Ligands/acac.mol +33 -0
  97. molSimplify/Ligands/acacen.mol +76 -0
  98. molSimplify/Ligands/acetate.smi +1 -0
  99. molSimplify/Ligands/acetate.xyz +9 -0
  100. molSimplify/Ligands/aceticacidbipyridine.mol +70 -0
  101. molSimplify/Ligands/acetonitrile.mol +17 -0
  102. molSimplify/Ligands/alanine.mol +30 -0
  103. molSimplify/Ligands/alphabetizer.py +21 -0
  104. molSimplify/Ligands/amine.mol +11 -0
  105. molSimplify/Ligands/ammonia.mol +12 -0
  106. molSimplify/Ligands/arginine.mol +58 -0
  107. molSimplify/Ligands/asparagine.mol +38 -0
  108. molSimplify/Ligands/aspartic_acid.mol +35 -0
  109. molSimplify/Ligands/azide.mol +11 -0
  110. molSimplify/Ligands/benzene.mol +28 -0
  111. molSimplify/Ligands/benzene_pi.mol +30 -0
  112. molSimplify/Ligands/benzenedithiol.mol +30 -0
  113. molSimplify/Ligands/benzenethiol.mol +30 -0
  114. molSimplify/Ligands/benzylisocy.mol +38 -0
  115. molSimplify/Ligands/bidiazine.mol +42 -0
  116. molSimplify/Ligands/bidiazole.mol +38 -0
  117. molSimplify/Ligands/bifuran.mol +38 -0
  118. molSimplify/Ligands/bihydrodiazine.mol +58 -0
  119. molSimplify/Ligands/bihydrodiazole.mol +46 -0
  120. molSimplify/Ligands/bihydrooxazine.mol +54 -0
  121. molSimplify/Ligands/bihydrooxazole.mol +42 -0
  122. molSimplify/Ligands/bihydrothiazine.mol +54 -0
  123. molSimplify/Ligands/bihydrothiazole.mol +42 -0
  124. molSimplify/Ligands/biimidazole.mol +38 -0
  125. molSimplify/Ligands/bioxazole.mol +34 -0
  126. molSimplify/Ligands/bipy.mol +46 -0
  127. molSimplify/Ligands/bipyrazine.xyz +20 -0
  128. molSimplify/Ligands/bipyrimidine.mol +42 -0
  129. molSimplify/Ligands/bipyrrole.mol +42 -0
  130. molSimplify/Ligands/bisnapthyridylpyridine.mol +111 -0
  131. molSimplify/Ligands/bithiazole.mol +34 -0
  132. molSimplify/Ligands/bromide.mol +7 -0
  133. molSimplify/Ligands/bromide.smi +1 -0
  134. molSimplify/Ligands/c2.mol +9 -0
  135. molSimplify/Ligands/caprolactone.mol +41 -0
  136. molSimplify/Ligands/carbonyl.mol +8 -0
  137. molSimplify/Ligands/carboxyl.mol +13 -0
  138. molSimplify/Ligands/cat.mol +30 -0
  139. molSimplify/Ligands/chloride.mol +7 -0
  140. molSimplify/Ligands/chloride.smi +1 -0
  141. molSimplify/Ligands/chloropyridine.mol +27 -0
  142. molSimplify/Ligands/co2.mol +10 -0
  143. molSimplify/Ligands/corrolazine.mol +72 -0
  144. molSimplify/Ligands/cs.mol +8 -0
  145. molSimplify/Ligands/cyanate.xyz +5 -0
  146. molSimplify/Ligands/cyanide.mol +9 -0
  147. molSimplify/Ligands/cyanoaceticporphyrin.mol +114 -0
  148. molSimplify/Ligands/cyanopyridine.mol +29 -0
  149. molSimplify/Ligands/cyclam.mol +81 -0
  150. molSimplify/Ligands/cyclen.mol +69 -0
  151. molSimplify/Ligands/cyclopentadienyl.mol +26 -0
  152. molSimplify/Ligands/cysteine.mol +32 -0
  153. molSimplify/Ligands/diaminomethyl.mol +19 -0
  154. molSimplify/Ligands/diazine.mol +25 -0
  155. molSimplify/Ligands/diazole.mol +23 -0
  156. molSimplify/Ligands/dicyanamide.mol +15 -0
  157. molSimplify/Ligands/dihydrofuran.mol +27 -0
  158. molSimplify/Ligands/dmap.xyz +35 -0
  159. molSimplify/Ligands/dmf.mol +28 -0
  160. molSimplify/Ligands/dmi.mol +41 -0
  161. molSimplify/Ligands/dmpe.mol +52 -0
  162. molSimplify/Ligands/dpmu.mol +47 -0
  163. molSimplify/Ligands/dppe.mol +112 -0
  164. molSimplify/Ligands/edta.mol +69 -0
  165. molSimplify/Ligands/en.mol +28 -0
  166. molSimplify/Ligands/ethanethiol.mol +21 -0
  167. molSimplify/Ligands/ethanolamine.mol +26 -0
  168. molSimplify/Ligands/ethbipy.mol +70 -0
  169. molSimplify/Ligands/ethyl.mol +19 -0
  170. molSimplify/Ligands/ethylamine.mol +24 -0
  171. molSimplify/Ligands/ethylene.mol +16 -0
  172. molSimplify/Ligands/ethylesteracac.mol +57 -0
  173. molSimplify/Ligands/fluoride.mol +7 -0
  174. molSimplify/Ligands/fluoride.smi +1 -0
  175. molSimplify/Ligands/formaldehyde.mol +12 -0
  176. molSimplify/Ligands/formamidate.xyz +8 -0
  177. molSimplify/Ligands/formate.xyz +6 -0
  178. molSimplify/Ligands/furan.mol +23 -0
  179. molSimplify/Ligands/glutamic_acid.mol +42 -0
  180. molSimplify/Ligands/glutamine.mol +44 -0
  181. molSimplify/Ligands/glycinate.mol +23 -0
  182. molSimplify/Ligands/glycine.mol +24 -0
  183. molSimplify/Ligands/h2s.mol +10 -0
  184. molSimplify/Ligands/helium.mol +6 -0
  185. molSimplify/Ligands/histidine.mol +45 -0
  186. molSimplify/Ligands/hmpa.mol +62 -0
  187. molSimplify/Ligands/hs-.mol +9 -0
  188. molSimplify/Ligands/hydride.mol +7 -0
  189. molSimplify/Ligands/hydrocarboxyacetylide.xyz +8 -0
  190. molSimplify/Ligands/hydrocyanide.mol +10 -0
  191. molSimplify/Ligands/hydrodiazine.mol +33 -0
  192. molSimplify/Ligands/hydrodiazole.mol +27 -0
  193. molSimplify/Ligands/hydrogensulfide.mol +10 -0
  194. molSimplify/Ligands/hydroisocyanide.mol +11 -0
  195. molSimplify/Ligands/hydrooxazine.mol +31 -0
  196. molSimplify/Ligands/hydrooxazole.mol +25 -0
  197. molSimplify/Ligands/hydrothiazine.mol +31 -0
  198. molSimplify/Ligands/hydrothiazole.mol +25 -0
  199. molSimplify/Ligands/hydroxyl.mol +9 -0
  200. molSimplify/Ligands/imidazole.mol +23 -0
  201. molSimplify/Ligands/imidazolidinone.mol +29 -0
  202. molSimplify/Ligands/imine.mol +13 -0
  203. molSimplify/Ligands/iminodiacetic.mol +33 -0
  204. molSimplify/Ligands/iodide.mol +7 -0
  205. molSimplify/Ligands/iodobenzene.xyz +14 -0
  206. molSimplify/Ligands/isoleucine.mol +48 -0
  207. molSimplify/Ligands/isothiocyanate.mol +11 -0
  208. molSimplify/Ligands/leucine.mol +48 -0
  209. molSimplify/Ligands/ligands.dict +257 -0
  210. molSimplify/Ligands/lysine.mol +54 -0
  211. molSimplify/Ligands/mebenzenedithiol.mol +36 -0
  212. molSimplify/Ligands/mebim_py.xyz +29 -0
  213. molSimplify/Ligands/mebim_pz.xyz +28 -0
  214. molSimplify/Ligands/mebipy.mol +58 -0
  215. molSimplify/Ligands/mecat.mol +36 -0
  216. molSimplify/Ligands/methanal.mol +11 -0
  217. molSimplify/Ligands/methanethiol.mol +15 -0
  218. molSimplify/Ligands/methanol.mol +16 -0
  219. molSimplify/Ligands/methionine.mol +44 -0
  220. molSimplify/Ligands/methyl.mol +13 -0
  221. molSimplify/Ligands/methylacetylide.xyz +8 -0
  222. molSimplify/Ligands/methylamine.mol +19 -0
  223. molSimplify/Ligands/methylazide.xyz +9 -0
  224. molSimplify/Ligands/methylisocy.mol +17 -0
  225. molSimplify/Ligands/methylpyridine.mol +33 -0
  226. molSimplify/Ligands/n2.mol +8 -0
  227. molSimplify/Ligands/n4py.xyz +51 -0
  228. molSimplify/Ligands/nch.mol +10 -0
  229. molSimplify/Ligands/nco-.mol +11 -0
  230. molSimplify/Ligands/nethanolamine.mol +26 -0
  231. molSimplify/Ligands/nitrate.mol +14 -0
  232. molSimplify/Ligands/nitrite.mol +11 -0
  233. molSimplify/Ligands/nitro.mol +11 -0
  234. molSimplify/Ligands/nitrobipy.mol +54 -0
  235. molSimplify/Ligands/nitroso.mol +8 -0
  236. molSimplify/Ligands/nme3.mol +30 -0
  237. molSimplify/Ligands/no-.mol +10 -0
  238. molSimplify/Ligands/no2-.mol +11 -0
  239. molSimplify/Ligands/noxygen.mol +8 -0
  240. molSimplify/Ligands/ns-.mol +10 -0
  241. molSimplify/Ligands/o-pyridylbenzene.xyz +23 -0
  242. molSimplify/Ligands/o-pyridylphenylanion.xyz +22 -0
  243. molSimplify/Ligands/o2-.mol +9 -0
  244. molSimplify/Ligands/o2.xyz +4 -0
  245. molSimplify/Ligands/och2.mol +12 -0
  246. molSimplify/Ligands/oethanolamine.mol +26 -0
  247. molSimplify/Ligands/ome2.mol +22 -0
  248. molSimplify/Ligands/ooh.xyz +5 -0
  249. molSimplify/Ligands/oxalate.mol +17 -0
  250. molSimplify/Ligands/oxalate.smi +1 -0
  251. molSimplify/Ligands/oxygen.mol +7 -0
  252. molSimplify/Ligands/pentacyanocyclopentadienide.mol +36 -0
  253. molSimplify/Ligands/ph2-.mol +11 -0
  254. molSimplify/Ligands/ph3.mol +12 -0
  255. molSimplify/Ligands/phen.mol +51 -0
  256. molSimplify/Ligands/phenacac.mol +63 -0
  257. molSimplify/Ligands/phenalalanine.mol +51 -0
  258. molSimplify/Ligands/phendione.mol +51 -0
  259. molSimplify/Ligands/phenphen.mol +75 -0
  260. molSimplify/Ligands/phenylbenzoxazole.mol +54 -0
  261. molSimplify/Ligands/phenylcyc.mol +99 -0
  262. molSimplify/Ligands/phenylenediamine.mol +37 -0
  263. molSimplify/Ligands/phenylisocy.mol +32 -0
  264. molSimplify/Ligands/phosacidbipy.mol +66 -0
  265. molSimplify/Ligands/phosphine.mol +13 -0
  266. molSimplify/Ligands/phosphorine.mol +27 -0
  267. molSimplify/Ligands/phosphorustrifluoride.mol +12 -0
  268. molSimplify/Ligands/phthalocyanine.mol +126 -0
  269. molSimplify/Ligands/pme3o.mol +32 -0
  270. molSimplify/Ligands/porphyrin.mol +82 -0
  271. molSimplify/Ligands/pph3o.mol +77 -0
  272. molSimplify/Ligands/proline.mol +39 -0
  273. molSimplify/Ligands/propdiol.mol +21 -0
  274. molSimplify/Ligands/propylene.mol +23 -0
  275. molSimplify/Ligands/pyridine.mol +27 -0
  276. molSimplify/Ligands/pyrimidone.mol +27 -0
  277. molSimplify/Ligands/pyrrole.mol +24 -0
  278. molSimplify/Ligands/quinoxalinedithiol.mol +39 -0
  279. molSimplify/Ligands/s2-.mol +9 -0
  280. molSimplify/Ligands/salen.mol +75 -0
  281. molSimplify/Ligands/salphen.mol +84 -0
  282. molSimplify/Ligands/serine.mol +32 -0
  283. molSimplify/Ligands/simple_ligands.dict +14 -0
  284. molSimplify/Ligands/sulfacidbipy.mol +63 -0
  285. molSimplify/Ligands/tbucat.mol +54 -0
  286. molSimplify/Ligands/tbuphisocy.mol +56 -0
  287. molSimplify/Ligands/tbutylcyclen.mol +166 -0
  288. molSimplify/Ligands/tbutylisocy.mol +35 -0
  289. molSimplify/Ligands/tbutylthiol.mol +33 -0
  290. molSimplify/Ligands/tcnoet.mol +43 -0
  291. molSimplify/Ligands/tcnoetOH.mol +45 -0
  292. molSimplify/Ligands/terpy.mol +65 -0
  293. molSimplify/Ligands/tetrahydrofuran.mol +31 -0
  294. molSimplify/Ligands/thiane.mol +37 -0
  295. molSimplify/Ligands/thiazole.mol +21 -0
  296. molSimplify/Ligands/thiocyanate.mol +11 -0
  297. molSimplify/Ligands/thiol.mol +9 -0
  298. molSimplify/Ligands/thiophene.mol +23 -0
  299. molSimplify/Ligands/thiopyridine.mol +29 -0
  300. molSimplify/Ligands/threonine.mol +38 -0
  301. molSimplify/Ligands/tpp.mol +165 -0
  302. molSimplify/Ligands/tricyanomethyl.mol +19 -0
  303. molSimplify/Ligands/trifluoromethyl.mol +13 -0
  304. molSimplify/Ligands/tryptophan.mol +60 -0
  305. molSimplify/Ligands/tyrosine.mol +53 -0
  306. molSimplify/Ligands/uthiol.mol +11 -0
  307. molSimplify/Ligands/uthiolme2.mol +23 -0
  308. molSimplify/Ligands/valine.mol +42 -0
  309. molSimplify/Ligands/water.mol +10 -0
  310. molSimplify/Ligands/x.mol +6 -0
  311. molSimplify/Scripts/__init__.py +0 -0
  312. molSimplify/Scripts/addtodb.py +308 -0
  313. molSimplify/Scripts/cellbuilder.py +1592 -0
  314. molSimplify/Scripts/cellbuilder_tools.py +701 -0
  315. molSimplify/Scripts/chains.py +342 -0
  316. molSimplify/Scripts/convert_2to3.py +23 -0
  317. molSimplify/Scripts/dbinteract.py +631 -0
  318. molSimplify/Scripts/distgeom.py +617 -0
  319. molSimplify/Scripts/findcorrelations.py +287 -0
  320. molSimplify/Scripts/generator.py +267 -0
  321. molSimplify/Scripts/geometry.py +1224 -0
  322. molSimplify/Scripts/grabguivars.py +845 -0
  323. molSimplify/Scripts/in_b3lyp_usetc.py +141 -0
  324. molSimplify/Scripts/inparse.py +1673 -0
  325. molSimplify/Scripts/io.py +1149 -0
  326. molSimplify/Scripts/isomers.py +415 -0
  327. molSimplify/Scripts/jobgen.py +247 -0
  328. molSimplify/Scripts/krr_prep.py +1262 -0
  329. molSimplify/Scripts/molSimplify_io.py +18 -0
  330. molSimplify/Scripts/molden2psi4wfn.py +166 -0
  331. molSimplify/Scripts/namegen.py +32 -0
  332. molSimplify/Scripts/nn_prep.py +561 -0
  333. molSimplify/Scripts/oct_check_mols.py +782 -0
  334. molSimplify/Scripts/periodic_QE.py +97 -0
  335. molSimplify/Scripts/postmold.py +304 -0
  336. molSimplify/Scripts/postmwfn.py +709 -0
  337. molSimplify/Scripts/postparse.py +488 -0
  338. molSimplify/Scripts/postproc.py +139 -0
  339. molSimplify/Scripts/qcgen.py +1450 -0
  340. molSimplify/Scripts/rmsd.py +489 -0
  341. molSimplify/Scripts/rungen.py +670 -0
  342. molSimplify/Scripts/structgen.py +3040 -0
  343. molSimplify/Scripts/tf_nn_prep.py +894 -0
  344. molSimplify/Scripts/tsgen.py +295 -0
  345. molSimplify/Scripts/uq_calibration.py +69 -0
  346. molSimplify/__init__.py +0 -0
  347. molSimplify/__main__.py +197 -0
  348. molSimplify/icons/chemdb.png +0 -0
  349. molSimplify/icons/hjklogo.png +0 -0
  350. molSimplify/icons/icon.png +0 -0
  351. molSimplify/icons/logo.png +0 -0
  352. molSimplify/icons/logo_old.png +0 -0
  353. molSimplify/icons/petachem.png +0 -0
  354. molSimplify/icons/petachem2.png +0 -0
  355. molSimplify/icons/petachem_full.png +0 -0
  356. molSimplify/icons/pythonlogo.png +0 -0
  357. molSimplify/icons/sge copy.png +0 -0
  358. molSimplify/icons/sge.png +0 -0
  359. molSimplify/icons/slurm.png +0 -0
  360. molSimplify/icons/wft1.png +0 -0
  361. molSimplify/icons/wft2.png +0 -0
  362. molSimplify/icons/wft3.png +0 -0
  363. molSimplify/ml/__init__.py +0 -0
  364. molSimplify/ml/kernels.py +36 -0
  365. molSimplify/ml/layers.py +29 -0
  366. molSimplify/molscontrol/__init__.py +14 -0
  367. molSimplify/molscontrol/_version.py +521 -0
  368. molSimplify/molscontrol/clf_tools.py +144 -0
  369. molSimplify/molscontrol/data/README.md +21 -0
  370. molSimplify/molscontrol/data/look_and_say.dat +15 -0
  371. molSimplify/molscontrol/dynamic_classifier.py +514 -0
  372. molSimplify/molscontrol/io_tools.py +363 -0
  373. molSimplify/molscontrol/molscontrol.py +49 -0
  374. molSimplify/molscontrol/terachem/jobscript_control.sh +31 -0
  375. molSimplify/molscontrol/terachem/terachem_input +22 -0
  376. molSimplify/python_krr/X_train_TS.csv +535 -0
  377. molSimplify/python_krr/__init__.py +0 -0
  378. molSimplify/python_krr/hat2_X_mean_std.csv +3 -0
  379. molSimplify/python_krr/hat2_feature_names.csv +1 -0
  380. molSimplify/python_krr/hat2_y_mean_std.csv +2 -0
  381. molSimplify/python_krr/hat_X_mean_std.csv +6 -0
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  559. molSimplify/tf_nn/rescaling_data/oxo_mean_x.csv +162 -0
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  561. molSimplify/tf_nn/rescaling_data/oxo_var_x.csv +162 -0
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  564. molSimplify/tf_nn/rescaling_data/sc_static_clf_mean_y.csv +1 -0
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  584. molSimplify/utils/metaclasses.py +12 -0
  585. molSimplify/utils/tensorflow.py +23 -0
  586. molSimplify/utils/timer.py +16 -0
  587. molSimplify-1.7.4.dist-info/LICENSE +674 -0
  588. molSimplify-1.7.4.dist-info/METADATA +821 -0
  589. molSimplify-1.7.4.dist-info/RECORD +651 -0
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  591. molSimplify-1.7.4.dist-info/entry_points.txt +3 -0
  592. molSimplify-1.7.4.dist-info/top_level.txt +4 -0
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  594. tests/helperFuncs.py +658 -0
  595. tests/informatics/test_MOF_descriptors.py +128 -0
  596. tests/informatics/test_active_learning.py +113 -0
  597. tests/informatics/test_coulomb_analyze.py +24 -0
  598. tests/informatics/test_graph_racs.py +193 -0
  599. tests/ml/test_kernels.py +20 -0
  600. tests/ml/test_layers.py +47 -0
  601. tests/runtest.py +10 -0
  602. tests/test_Mol2D.py +128 -0
  603. tests/test_basic_imports.py +62 -0
  604. tests/test_bidentate.py +25 -0
  605. tests/test_cli.py +20 -0
  606. tests/test_distgeom.py +106 -0
  607. tests/test_example_1.py +29 -0
  608. tests/test_example_3.py +31 -0
  609. tests/test_example_5.py +43 -0
  610. tests/test_example_7.py +28 -0
  611. tests/test_example_8.py +15 -0
  612. tests/test_example_tbp.py +15 -0
  613. tests/test_ff_xtb.py +111 -0
  614. tests/test_geocheck_oct.py +26 -0
  615. tests/test_geocheck_one_empty.py +15 -0
  616. tests/test_geometry.py +44 -0
  617. tests/test_inparse.py +76 -0
  618. tests/test_io.py +84 -0
  619. tests/test_jobgen.py +84 -0
  620. tests/test_joption_pythonic.py +27 -0
  621. tests/test_ligand_assign.py +58 -0
  622. tests/test_ligand_assign_consistent.py +60 -0
  623. tests/test_ligand_class.py +26 -0
  624. tests/test_ligand_from_mol_file.py +35 -0
  625. tests/test_ligands.py +86 -0
  626. tests/test_mol3D.py +337 -0
  627. tests/test_molcas_caspt2.py +15 -0
  628. tests/test_molcas_casscf.py +15 -0
  629. tests/test_old_ANNs.py +68 -0
  630. tests/test_orca_ccsdt.py +15 -0
  631. tests/test_orca_dft.py +15 -0
  632. tests/test_qcgen.py +50 -0
  633. tests/test_racs.py +124 -0
  634. tests/test_rmsd.py +68 -0
  635. tests/test_structgen_functions.py +198 -0
  636. tests/test_tetrahedral.py +29 -0
  637. tests/test_tutorial_10_part_one.py +16 -0
  638. tests/test_tutorial_10_part_two.py +15 -0
  639. tests/test_tutorial_2.py +11 -0
  640. tests/test_tutorial_3.py +15 -0
  641. tests/test_tutorial_4.py +57 -0
  642. tests/test_tutorial_6.py +10 -0
  643. tests/test_tutorial_8.py +29 -0
  644. tests/test_tutorial_9_part_one.py +15 -0
  645. tests/test_tutorial_9_part_two.py +15 -0
  646. tests/test_tutorial_qm9_part_one.py +6 -0
  647. tests/testresources/refs/racs/generate_references.py +85 -0
  648. workflows/NandyJACSAu2022/bridge_functionalizer.py +253 -0
  649. workflows/NandyJACSAu2022/frag_functionalizer.py +242 -0
  650. workflows/NandyJACSAu2022/fragment_classes.py +586 -0
  651. workflows/NandyJACSAu2022/macrocycle_synthesis.py +179 -0
molSimplify/tf_nn/oxocatalysis/hat_train_names.csv ADDED
@@ -0,0 +1,1507 @@
1
+ cr_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_3_30
2
+ cr_4_eq_water_ax1_water_ax2_oxo_s_1_20
3
+ cr_5_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_10
4
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_4_0
5
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_5_25
6
+ fe_5_eq_ox_ax1_water_ax2_oxo_s_4_25
7
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_3_5
8
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_1_20
9
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_5_30
10
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_0
11
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_10
12
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_3_30
13
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_2_25
14
+ fe_5_eq_en_ax1_cyanide_ax2_oxo_s_4_15
15
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_5
16
+ cr_4_eq_water_ax1_carbonyl_ax2_oxo_s_3_25
17
+ co_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_4_20
18
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_30
19
+ fe_4_eq_phen_ax1_water_ax2_oxo_s_1_0
20
+ cr_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_2_15
21
+ mn_4_eq_bipy_ax1_ammonia_ax2_oxo_s_2_10
22
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_25
23
+ fe_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_30
24
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_4_10
25
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_1_30
26
+ fe_4_eq_water_ax1_water_ax2_oxo_s_5_30
27
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_25
28
+ mn_5_eq_ammonia_ax1_water_ax2_oxo_s_1_5
29
+ fe_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_5_15
30
+ mn_4_eq_ammonia_ax1_water_ax2_oxo_s_2_25
31
+ mn_4_eq_ammonia_ax1_water_ax2_oxo_s_2_15
32
+ fe_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_5_20
33
+ fe_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_5
34
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_10
35
+ mn_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_2_10
36
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_20
37
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_5_20
38
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_20
39
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_1_15
40
+ cr_5_eq_misc_ax1_misc_ax2_oxo_s_2_30
41
+ co_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_4_10
42
+ mn_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_0
43
+ mn_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_0
44
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_3_15
45
+ fe_4_eq_chloride_ax1_chloride_ax2_oxo_s_1_5
46
+ fe_5_eq_pisc_ax1_pisc_ax2_oxo_s_4_20
47
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_5_15
48
+ mn_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_0
49
+ mn_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_20
50
+ mn_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_3_25
51
+ mn_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_0
52
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_3_0
53
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_3_20
54
+ mn_5_eq_en_ax1_water_ax2_oxo_s_1_10
55
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_0
56
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_3_0
57
+ fe_4_eq_en_ax1_water_ax2_oxo_s_1_0
58
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_4_0
59
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_2_30
60
+ fe_5_eq_en_ax1_water_ax2_oxo_s_4_5
61
+ mn_5_eq_en_ax1_ammonia_ax2_oxo_s_1_20
62
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_15
63
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_5_10
64
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_5_0
65
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_5_10
66
+ fe_4_eq_water_ax1_water_ax2_oxo_s_1_25
67
+ cr_4_eq_water_ax1_carbonyl_ax2_oxo_s_3_0
68
+ mn_4_eq_water_ax1_chloride_ax2_oxo_s_2_10
69
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_5_0
70
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_5_20
71
+ mn_4_eq_bipy_ax1_carbonyl_ax2_oxo_s_4_0
72
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_5_0
73
+ fe_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_4_5
74
+ cr_5_eq_water_ax1_water_ax2_oxo_s_2_15
75
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_3_0
76
+ cr_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_10
77
+ mn_4_eq_water_ax1_chloride_ax2_oxo_s_2_0
78
+ mn_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_5
79
+ fe_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_10
80
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_5_0
81
+ fe_5_eq_water_ax1_chloride_ax2_oxo_s_2_0
82
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_10
83
+ mn_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_2_20
84
+ co_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_20
85
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_25
86
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_1_15
87
+ fe_5_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_25
88
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_1_25
89
+ fe_4_eq_water_ax1_water_ax2_oxo_s_5_20
90
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_5
91
+ fe_4_eq_chloride_ax1_chloride_ax2_oxo_s_1_25
92
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_5_10
93
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_3_0
94
+ fe_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_5_25
95
+ fe_5_eq_pisc_ax1_chloride_ax2_oxo_s_4_15
96
+ cr_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_0
97
+ fe_4_eq_ox_ax1_chloride_ax2_oxo_s_5_10
98
+ mn_5_eq_misc_ax1_misc_ax2_oxo_s_1_0
99
+ mn_5_eq_phen_ax1_chloride_ax2_oxo_s_1_20
100
+ fe_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_4_20
101
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_0
102
+ fe_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_4_15
103
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_30
104
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_30
105
+ mn_4_eq_acac_ax1_chloride_ax2_oxo_s_4_5
106
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_15
107
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_15
108
+ cr_4_eq_water_ax1_water_ax2_oxo_s_3_0
109
+ mn_5_eq_en_ax1_ammonia_ax2_oxo_s_3_0
110
+ cr_5_eq_en_ax1_ammonia_ax2_oxo_s_2_30
111
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_2_5
112
+ cr_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_3_15
113
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_1_10
114
+ fe_5_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_15
115
+ mn_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_2_15
116
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_4_20
117
+ mn_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_25
118
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_0
119
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_3_20
120
+ co_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_2_0
121
+ mn_4_eq_pisc_ax1_water_ax2_oxo_s_4_25
122
+ mn_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_25
123
+ mn_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_25
124
+ mn_4_eq_en_ax1_cyanide_ax2_oxo_s_2_25
125
+ mn_5_eq_porphyrin_ax1_water_ax2_oxo_s_3_30
126
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_4_5
127
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_4_0
128
+ fe_4_eq_isothiocyanate_ax1_water_ax2_oxo_s_1_25
129
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_3_30
130
+ mn_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_10
131
+ mn_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_30
132
+ fe_4_eq_en_ax1_water_ax2_oxo_s_3_5
133
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_4_10
134
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_5_15
135
+ mn_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_10
136
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_10
137
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_3_10
138
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_3_10
139
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_15
140
+ mn_5_eq_porphyrin_ax1_cyanide_ax2_oxo_s_3_15
141
+ mn_4_eq_en_ax1_water_ax2_oxo_s_4_10
142
+ cr_5_eq_misc_ax1_misc_ax2_oxo_s_2_20
143
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_1_30
144
+ fe_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_5
145
+ fe_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_15
146
+ mn_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_20
147
+ fe_5_eq_pisc_ax1_chloride_ax2_oxo_s_4_20
148
+ fe_5_eq_pisc_ax1_water_ax2_oxo_s_4_25
149
+ mn_5_eq_phen_ax1_ammonia_ax2_oxo_s_3_20
150
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_5_20
151
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_15
152
+ mn_5_eq_porphyrin_ax1_water_ax2_oxo_s_3_25
153
+ fe_5_eq_chloride_ax1_pisc_ax2_oxo_s_4_30
154
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_30
155
+ mn_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_3_0
156
+ co_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_4_25
157
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_1_5
158
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_2_15
159
+ fe_5_eq_pisc_ax1_water_ax2_oxo_s_4_15
160
+ cr_5_eq_water_ax1_carbonyl_ax2_oxo_s_2_5
161
+ fe_4_eq_water_ax1_water_ax2_oxo_s_1_10
162
+ mn_4_eq_acac_ax1_cyanide_ax2_oxo_s_4_0
163
+ mn_5_eq_ox_ax1_chloride_ax2_oxo_s_3_25
164
+ co_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_15
165
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_3_10
166
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_2_25
167
+ cr_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_15
168
+ fe_5_eq_pisc_ax1_water_ax2_oxo_s_4_10
169
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_5
170
+ fe_4_eq_pisc_ax1_water_ax2_oxo_s_3_30
171
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_5
172
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_0
173
+ fe_5_eq_pisc_ax1_water_ax2_oxo_s_4_5
174
+ fe_5_eq_misc_ax1_misc_ax2_oxo_s_4_5
175
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_2_5
176
+ cr_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_20
177
+ cr_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_25
178
+ co_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_4_15
179
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_5_5
180
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_15
181
+ mn_4_eq_water_ax1_carbonyl_ax2_oxo_s_2_5
182
+ co_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_0
183
+ fe_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_10
184
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_4_0
185
+ mn_5_eq_ammonia_ax1_water_ax2_oxo_s_3_15
186
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_5_5
187
+ fe_5_eq_phen_ax1_chloride_ax2_oxo_s_4_10
188
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_2_0
189
+ mn_4_eq_water_ax1_water_ax2_oxo_s_2_20
190
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_2_30
191
+ mn_4_eq_pisc_ax1_cyanide_ax2_oxo_s_4_10
192
+ mn_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_1_0
193
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_15
194
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_1_20
195
+ co_5_eq_cyanide_ax1_water_ax2_oxo_s_1_20
196
+ fe_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_0
197
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_5_25
198
+ mn_4_eq_cyanide_ax1_water_ax2_oxo_s_4_0
199
+ mn_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_30
200
+ mn_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_20
201
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_5
202
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_1_15
203
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_1_15
204
+ fe_5_eq_ox_ax1_water_ax2_oxo_s_4_20
205
+ fe_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_1_10
206
+ mn_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_20
207
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_1_20
208
+ cr_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_15
209
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_5_0
210
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_1_30
211
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_1_0
212
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_3_25
213
+ mn_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_5
214
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_5_10
215
+ co_5_eq_chloride_ax1_pisc_ax2_oxo_s_1_25
216
+ fe_5_eq_water_ax1_pisc_ax2_oxo_s_4_30
217
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_3_5
218
+ cr_5_eq_water_ax1_water_ax2_oxo_s_2_10
219
+ mn_4_eq_pisc_ax1_cyanide_ax2_oxo_s_4_0
220
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_1_10
221
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_4_5
222
+ cr_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_0
223
+ cr_4_eq_water_ax1_water_ax2_oxo_s_3_15
224
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_25
225
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_1_25
226
+ cr_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_20
227
+ fe_5_eq_phen_ax1_ammonia_ax2_oxo_s_4_30
228
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_3_0
229
+ fe_4_eq_phen_ax1_water_ax2_oxo_s_1_20
230
+ fe_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_5_20
231
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_1_30
232
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_3_5
233
+ mn_5_eq_en_ax1_carbonyl_ax2_oxo_s_3_15
234
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_5_25
235
+ fe_4_eq_en_ax1_water_ax2_oxo_s_5_25
236
+ co_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_5
237
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_2_0
238
+ fe_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_10
239
+ mn_4_eq_water_ax1_water_ax2_oxo_s_2_30
240
+ cr_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_20
241
+ fe_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_5_30
242
+ cr_4_eq_misc_ax1_misc_ax2_oxo_s_1_20
243
+ mn_5_eq_en_ax1_ammonia_ax2_oxo_s_1_15
244
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_2_5
245
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_1_30
246
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_10
247
+ fe_5_eq_chloride_ax1_pisc_ax2_oxo_s_4_10
248
+ mn_5_eq_ox_ax1_chloride_ax2_oxo_s_3_5
249
+ mn_5_eq_porphyrin_ax1_water_ax2_oxo_s_3_0
250
+ fe_4_eq_en_ax1_water_ax2_oxo_s_1_5
251
+ fe_5_eq_phen_ax1_ammonia_ax2_oxo_s_4_5
252
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_1_15
253
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_5
254
+ fe_5_eq_ox_ax1_chloride_ax2_oxo_s_2_5
255
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_4_25
256
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_5_15
257
+ co_5_eq_chloride_ax1_pisc_ax2_oxo_s_1_10
258
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_20
259
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_1_15
260
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_2_15
261
+ mn_4_eq_cyanide_ax1_water_ax2_oxo_s_4_15
262
+ mn_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_1_15
263
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_20
264
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_4_0
265
+ mn_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_15
266
+ fe_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_0
267
+ mn_5_eq_water_ax1_chloride_ax2_oxo_s_1_25
268
+ fe_4_eq_phen_ax1_chloride_ax2_oxo_s_1_5
269
+ mn_5_eq_ox_ax1_water_ax2_oxo_s_3_25
270
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_3_0
271
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_5_5
272
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_5_25
273
+ co_4_eq_en_ax1_pisc_ax2_oxo_s_4_20
274
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_4_5
275
+ cr_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_30
276
+ fe_4_eq_phen_ax1_water_ax2_oxo_s_1_15
277
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_1_30
278
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_10
279
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_4_20
280
+ mn_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_20
281
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_15
282
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_30
283
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_3_0
284
+ mn_5_eq_ammonia_ax1_water_ax2_oxo_s_3_10
285
+ co_4_eq_acac_ax1_carbonyl_ax2_oxo_s_2_15
286
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_1_0
287
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_30
288
+ mn_5_eq_bipy_ax1_water_ax2_oxo_s_1_10
289
+ mn_4_eq_isothiocyanate_ax1_carbonyl_ax2_oxo_s_2_25
290
+ co_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_30
291
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_10
292
+ fe_5_eq_ox_ax1_chloride_ax2_oxo_s_4_15
293
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_3_0
294
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_2_10
295
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_3_30
296
+ mn_4_eq_en_ax1_ammonia_ax2_oxo_s_4_5
297
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_1_0
298
+ cr_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_5
299
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_4_5
300
+ mn_4_eq_en_ax1_water_ax2_oxo_s_2_20
301
+ mn_4_eq_bipy_ax1_carbonyl_ax2_oxo_s_4_25
302
+ co_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_3_5
303
+ mn_4_eq_bipy_ax1_carbonyl_ax2_oxo_s_4_10
304
+ co_4_eq_ammonia_ax1_water_ax2_oxo_s_4_15
305
+ fe_5_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_15
306
+ mn_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_2_30
307
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_3_20
308
+ mn_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_2_5
309
+ mn_5_eq_bipy_ax1_water_ax2_oxo_s_3_25
310
+ cr_5_eq_misc_ax1_misc_ax2_oxo_s_2_10
311
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_3_30
312
+ co_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_10
313
+ co_4_eq_acac_ax1_carbonyl_ax2_oxo_s_2_10
314
+ fe_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_15
315
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_3_10
316
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_4_25
317
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_15
318
+ fe_5_eq_phen_ax1_ammonia_ax2_oxo_s_4_0
319
+ fe_4_eq_pisc_ax1_water_ax2_oxo_s_3_0
320
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_2_0
321
+ cr_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_25
322
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_1_30
323
+ cr_5_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_25
324
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_3_30
325
+ co_4_eq_en_ax1_pisc_ax2_oxo_s_2_10
326
+ cr_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_20
327
+ fe_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_1_0
328
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_15
329
+ mn_4_eq_water_ax1_water_ax2_oxo_s_2_10
330
+ mn_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_2_5
331
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_3_15
332
+ mn_5_eq_phen_ax1_chloride_ax2_oxo_s_1_0
333
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_20
334
+ fe_5_eq_ox_ax1_pisc_ax2_oxo_s_4_20
335
+ mn_4_eq_pisc_ax1_cyanide_ax2_oxo_s_4_15
336
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_5_30
337
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_2_10
338
+ fe_5_eq_ox_ax1_pisc_ax2_oxo_s_4_0
339
+ mn_5_eq_ox_ax1_pisc_ax2_oxo_s_3_20
340
+ cr_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_1_25
341
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_10
342
+ co_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_30
343
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_3_20
344
+ mn_4_eq_isothiocyanate_ax1_water_ax2_oxo_s_2_25
345
+ co_4_eq_ammonia_ax1_water_ax2_oxo_s_4_30
346
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_25
347
+ fe_5_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_20
348
+ cr_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_15
349
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_3_30
350
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_5_0
351
+ co_4_eq_ammonia_ax1_water_ax2_oxo_s_4_5
352
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_1_25
353
+ mn_4_eq_cyanide_ax1_water_ax2_oxo_s_4_5
354
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_20
355
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_5
356
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_3_15
357
+ fe_4_eq_chloride_ax1_chloride_ax2_oxo_s_1_20
358
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_20
359
+ fe_4_eq_phen_ax1_chloride_ax2_oxo_s_1_25
360
+ co_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_25
361
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_0
362
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_25
363
+ fe_5_eq_ammonia_ax1_water_ax2_oxo_s_2_15
364
+ cr_5_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_5
365
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_1_20
366
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_3_10
367
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_1_20
368
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_5_15
369
+ mn_5_eq_ammonia_ax1_pisc_ax2_oxo_s_3_0
370
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_3_15
371
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_5_10
372
+ fe_5_eq_en_ax1_water_ax2_oxo_s_4_15
373
+ mn_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_15
374
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_15
375
+ mn_5_eq_water_ax1_chloride_ax2_oxo_s_1_15
376
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_2_10
377
+ fe_5_eq_acac_ax1_cyanide_ax2_oxo_s_2_10
378
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_2_10
379
+ co_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_10
380
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_30
381
+ fe_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_10
382
+ fe_5_eq_misc_ax1_misc_ax2_oxo_s_4_20
383
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_1_10
384
+ mn_4_eq_pisc_ax1_cyanide_ax2_oxo_s_4_25
385
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_5_0
386
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_3_0
387
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_3_10
388
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_4_10
389
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_2_30
390
+ mn_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_4_10
391
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_5_20
392
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_30
393
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_4_15
394
+ co_4_eq_ammonia_ax1_water_ax2_oxo_s_4_25
395
+ fe_5_eq_acac_ax1_cyanide_ax2_oxo_s_4_30
396
+ co_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_30
397
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_3_5
398
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_5
399
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_2_20
400
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_5_5
401
+ fe_5_eq_acac_ax1_cyanide_ax2_oxo_s_4_20
402
+ fe_5_eq_en_ax1_pisc_ax2_oxo_s_4_10
403
+ fe_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_0
404
+ fe_5_eq_ammonia_ax1_pisc_ax2_oxo_s_4_0
405
+ fe_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_15
406
+ co_5_eq_ammonia_ax1_water_ax2_oxo_s_1_5
407
+ mn_5_eq_porphyrin_ax1_cyanide_ax2_oxo_s_3_10
408
+ mn_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_2_20
409
+ mn_4_eq_water_ax1_water_ax2_oxo_s_2_15
410
+ fe_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_4_0
411
+ co_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_25
412
+ fe_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_15
413
+ co_5_eq_ammonia_ax1_water_ax2_oxo_s_3_15
414
+ co_4_eq_ammonia_ax1_water_ax2_oxo_s_2_5
415
+ fe_5_eq_en_ax1_pisc_ax2_oxo_s_4_25
416
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_1_20
417
+ mn_4_eq_water_ax1_chloride_ax2_oxo_s_4_0
418
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_0
419
+ fe_5_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_4_5
420
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_1_0
421
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_3_0
422
+ fe_5_eq_en_ax1_pisc_ax2_oxo_s_4_0
423
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_10
424
+ fe_5_eq_chloride_ax1_pisc_ax2_oxo_s_4_25
425
+ mn_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_2_10
426
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_1_5
427
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_4_20
428
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_0
429
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_30
430
+ mn_5_eq_phen_ax1_ammonia_ax2_oxo_s_3_15
431
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_5_25
432
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_5_25
433
+ fe_5_eq_pisc_ax1_pisc_ax2_oxo_s_4_25
434
+ fe_4_eq_water_ax1_water_ax2_oxo_s_1_20
435
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_1_10
436
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_1_15
437
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_3_5
438
+ mn_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_5
439
+ mn_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_0
440
+ cr_5_eq_en_ax1_ammonia_ax2_oxo_s_2_20
441
+ cr_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_25
442
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_4_15
443
+ fe_5_eq_ammonia_ax1_pisc_ax2_oxo_s_4_30
444
+ cr_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_10
445
+ fe_5_eq_en_ax1_water_ax2_oxo_s_4_20
446
+ co_4_eq_ammonia_ax1_water_ax2_oxo_s_4_10
447
+ mn_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_2_5
448
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_15
449
+ mn_4_eq_bipy_ax1_water_ax2_oxo_s_4_25
450
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_2_5
451
+ co_4_eq_water_ax1_water_ax2_oxo_s_4_15
452
+ fe_5_eq_chloride_ax1_pisc_ax2_oxo_s_4_0
453
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_5
454
+ cr_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_2_20
455
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_5_15
456
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_10
457
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_1_10
458
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_3_15
459
+ co_4_eq_misc_ax1_misc_ax2_oxo_s_4_10
460
+ co_4_eq_ammonia_ax1_water_ax2_oxo_s_4_20
461
+ mn_4_eq_misc_ax1_misc_ax2_oxo_s_4_0
462
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_25
463
+ mn_5_eq_en_ax1_ammonia_ax2_oxo_s_3_10
464
+ mn_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_2_20
465
+ cr_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_15
466
+ fe_4_eq_ox_ax1_chloride_ax2_oxo_s_1_20
467
+ mn_5_eq_porphyrin_ax1_water_ax2_oxo_s_3_5
468
+ mn_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_2_15
469
+ fe_5_eq_phen_ax1_water_ax2_oxo_s_4_30
470
+ fe_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_1_25
471
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_0
472
+ fe_5_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_5
473
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_1_15
474
+ fe_5_eq_en_ax1_water_ax2_oxo_s_4_25
475
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_5
476
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_1_5
477
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_3_15
478
+ mn_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_3_15
479
+ co_5_eq_acac_ax1_cyanide_ax2_oxo_s_3_30
480
+ mn_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_30
481
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_1_30
482
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_4_20
483
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_5
484
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_5_20
485
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_10
486
+ mn_4_eq_bipy_ax1_carbonyl_ax2_oxo_s_4_5
487
+ co_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_30
488
+ mn_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_2_10
489
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_1_10
490
+ mn_4_eq_bipy_ax1_ammonia_ax2_oxo_s_2_25
491
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_2_30
492
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_0
493
+ mn_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_3_30
494
+ co_4_eq_en_ax1_pisc_ax2_oxo_s_4_10
495
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_1_5
496
+ fe_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_15
497
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_4_10
498
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_5_25
499
+ cr_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_1_30
500
+ fe_4_eq_ox_ax1_chloride_ax2_oxo_s_5_5
501
+ cr_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_10
502
+ mn_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_2_10
503
+ mn_4_eq_water_ax1_chloride_ax2_oxo_s_2_15
504
+ mn_4_eq_acac_ax1_cyanide_ax2_oxo_s_2_25
505
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_3_25
506
+ fe_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_4_10
507
+ mn_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_5
508
+ fe_5_eq_pisc_ax1_water_ax2_oxo_s_4_30
509
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_3_20
510
+ fe_4_eq_isothiocyanate_ax1_carbonyl_ax2_oxo_s_1_10
511
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_5_5
512
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_1_5
513
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_5
514
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_5_5
515
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_20
516
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_0
517
+ cr_5_eq_misc_ax1_misc_ax2_oxo_s_2_15
518
+ mn_5_eq_water_ax1_chloride_ax2_oxo_s_1_30
519
+ cr_5_eq_water_ax1_carbonyl_ax2_oxo_s_2_20
520
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_5_25
521
+ mn_5_eq_en_ax1_carbonyl_ax2_oxo_s_3_0
522
+ mn_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_3_20
523
+ mn_4_eq_water_ax1_water_ax2_oxo_s_2_0
524
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_1_20
525
+ fe_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_0
526
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_3_5
527
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_15
528
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_1_0
529
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_1_5
530
+ mn_5_eq_ammonia_ax1_pisc_ax2_oxo_s_3_10
531
+ fe_5_eq_en_ax1_cyanide_ax2_oxo_s_2_20
532
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_1_0
533
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_1_25
534
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_3_25
535
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_4_30
536
+ fe_5_eq_en_ax1_cyanide_ax2_oxo_s_4_20
537
+ mn_4_eq_bipy_ax1_ammonia_ax2_oxo_s_2_20
538
+ mn_5_eq_chloride_ax1_chloride_ax2_oxo_s_1_0
539
+ cr_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_0
540
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_1_0
541
+ cr_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_20
542
+ mn_5_eq_porphyrin_ax1_water_ax2_oxo_s_3_20
543
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_3_5
544
+ cr_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_3_25
545
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_4_0
546
+ fe_5_eq_ox_ax1_chloride_ax2_oxo_s_2_15
547
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_4_10
548
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_4_30
549
+ fe_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_30
550
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_25
551
+ mn_5_eq_misc_ax1_misc_ax2_oxo_s_1_30
552
+ mn_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_0
553
+ co_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_25
554
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_3_20
555
+ fe_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_4_30
556
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_3_20
557
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_5_0
558
+ mn_4_eq_bipy_ax1_carbonyl_ax2_oxo_s_4_30
559
+ fe_4_eq_phen_ax1_ammonia_ax2_oxo_s_1_25
560
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_4_10
561
+ co_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_10
562
+ fe_5_eq_pisc_ax1_cyanide_ax2_oxo_s_4_25
563
+ fe_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_4_25
564
+ mn_5_eq_water_ax1_chloride_ax2_oxo_s_1_10
565
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_0
566
+ fe_5_eq_pisc_ax1_chloride_ax2_oxo_s_4_30
567
+ mn_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_2_20
568
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_2_0
569
+ fe_5_eq_phen_ax1_water_ax2_oxo_s_4_0
570
+ fe_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_0
571
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_3_30
572
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_3_25
573
+ mn_5_eq_en_ax1_pisc_ax2_oxo_s_1_10
574
+ fe_5_eq_acac_ax1_cyanide_ax2_oxo_s_4_10
575
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_5_10
576
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_4_30
577
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_3_0
578
+ co_5_eq_ammonia_ax1_water_ax2_oxo_s_1_30
579
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_2_10
580
+ mn_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_2_25
581
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_2_20
582
+ co_5_eq_ammonia_ax1_water_ax2_oxo_s_1_10
583
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_5
584
+ mn_5_eq_ammonia_ax1_water_ax2_oxo_s_3_5
585
+ mn_4_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_30
586
+ fe_4_eq_ox_ax1_chloride_ax2_oxo_s_5_25
587
+ co_5_eq_acac_ax1_cyanide_ax2_oxo_s_3_0
588
+ fe_5_eq_water_ax1_pisc_ax2_oxo_s_4_25
589
+ cr_5_eq_water_ax1_chloride_ax2_oxo_s_2_25
590
+ fe_4_eq_pisc_ax1_water_ax2_oxo_s_1_10
591
+ mn_4_eq_en_ax1_cyanide_ax2_oxo_s_2_5
592
+ fe_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_5
593
+ fe_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_4_30
594
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_3_30
595
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_5
596
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_1_0
597
+ co_5_eq_cyanide_ax1_water_ax2_oxo_s_1_15
598
+ co_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_20
599
+ mn_4_eq_cyanide_ax1_water_ax2_oxo_s_4_30
600
+ fe_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_4_5
601
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_5_20
602
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_5_30
603
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_3_15
604
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_25
605
+ cr_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_10
606
+ fe_4_eq_isothiocyanate_ax1_carbonyl_ax2_oxo_s_1_30
607
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_1_0
608
+ mn_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_10
609
+ fe_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_4_20
610
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_5_10
611
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_30
612
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_3_15
613
+ mn_5_eq_phen_ax1_chloride_ax2_oxo_s_1_5
614
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_5_10
615
+ mn_4_eq_water_ax1_water_ax2_oxo_s_2_5
616
+ cr_4_eq_water_ax1_thiocyanate_ax2_oxo_s_3_25
617
+ fe_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_1_30
618
+ fe_5_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_30
619
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_30
620
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_1_20
621
+ fe_5_eq_phen_ax1_chloride_ax2_oxo_s_4_15
622
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_1_25
623
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_5_10
624
+ mn_5_eq_bipy_ax1_water_ax2_oxo_s_1_5
625
+ co_5_eq_chloride_ax1_pisc_ax2_oxo_s_1_20
626
+ fe_5_eq_water_ax1_chloride_ax2_oxo_s_2_5
627
+ mn_4_eq_bipy_ax1_ammonia_ax2_oxo_s_2_5
628
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_5_5
629
+ fe_5_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_4_0
630
+ mn_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_2_0
631
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_30
632
+ fe_5_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_30
633
+ mn_4_eq_acac_ax1_chloride_ax2_oxo_s_2_0
634
+ co_4_eq_misc_ax1_misc_ax2_oxo_s_4_15
635
+ mn_5_eq_en_ax1_pisc_ax2_oxo_s_3_20
636
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_20
637
+ fe_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_1_30
638
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_2_20
639
+ cr_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_0
640
+ mn_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_25
641
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_3_30
642
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_3_15
643
+ fe_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_4_25
644
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_5
645
+ fe_5_eq_phen_ax1_water_ax2_oxo_s_4_10
646
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_5
647
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_3_10
648
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_5_30
649
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_3_10
650
+ mn_5_eq_en_ax1_ammonia_ax2_oxo_s_3_25
651
+ co_4_eq_water_ax1_water_ax2_oxo_s_4_10
652
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_2_10
653
+ fe_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_20
654
+ fe_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_1_0
655
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_1_30
656
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_5_10
657
+ fe_5_eq_phen_ax1_chloride_ax2_oxo_s_4_30
658
+ mn_5_eq_bipy_ax1_water_ax2_oxo_s_1_0
659
+ cr_4_eq_misc_ax1_misc_ax2_oxo_s_1_10
660
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_3_10
661
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_2_20
662
+ cr_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_2_5
663
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_3_10
664
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_4_5
665
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_5
666
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_30
667
+ cr_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_5
668
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_2_20
669
+ cr_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_0
670
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_5_15
671
+ mn_5_eq_ammonia_ax1_water_ax2_oxo_s_1_10
672
+ fe_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_5_10
673
+ mn_4_eq_en_ax1_water_ax2_oxo_s_4_15
674
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_5_25
675
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_4_30
676
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_5_25
677
+ mn_4_eq_water_ax1_carbonyl_ax2_oxo_s_2_15
678
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_20
679
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_2_25
680
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_3_30
681
+ co_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_4_20
682
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_4_15
683
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_25
684
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_2_0
685
+ fe_4_eq_water_ax1_water_ax2_oxo_s_1_5
686
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_5_15
687
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_3_20
688
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_1_10
689
+ fe_5_eq_water_ax1_pisc_ax2_oxo_s_2_0
690
+ fe_4_eq_water_ax1_water_ax2_oxo_s_1_30
691
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_1_25
692
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_2_25
693
+ mn_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_2_25
694
+ mn_4_eq_bipy_ax1_water_ax2_oxo_s_4_15
695
+ mn_5_eq_en_ax1_ammonia_ax2_oxo_s_1_5
696
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_4_0
697
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_2_30
698
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_0
699
+ fe_4_eq_pisc_ax1_cyanide_ax2_oxo_s_1_25
700
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_0
701
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_10
702
+ mn_4_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_10
703
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_5_25
704
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_4_15
705
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_2_10
706
+ mn_5_eq_water_ax1_chloride_ax2_oxo_s_1_0
707
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_30
708
+ mn_5_eq_chloride_ax1_chloride_ax2_oxo_s_3_15
709
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_20
710
+ co_5_eq_ammonia_ax1_water_ax2_oxo_s_3_10
711
+ fe_5_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_10
712
+ fe_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_10
713
+ fe_4_eq_phen_ax1_chloride_ax2_oxo_s_5_15
714
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_4_20
715
+ cr_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_5
716
+ fe_4_eq_pisc_ax1_water_ax2_oxo_s_1_15
717
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_3_25
718
+ co_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_5
719
+ mn_4_eq_ox_ax1_pisc_ax2_oxo_s_4_20
720
+ fe_5_eq_en_ax1_water_ax2_oxo_s_2_20
721
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_4_5
722
+ mn_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_0
723
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_4_25
724
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_1_0
725
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_0
726
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_1_5
727
+ cr_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_0
728
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_3_30
729
+ mn_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_10
730
+ fe_5_eq_pisc_ax1_cyanide_ax2_oxo_s_4_10
731
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_4_15
732
+ mn_5_eq_porphyrin_ax1_cyanide_ax2_oxo_s_1_10
733
+ co_4_eq_en_ax1_pisc_ax2_oxo_s_4_30
734
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_5_30
735
+ fe_5_eq_ammonia_ax1_water_ax2_oxo_s_4_20
736
+ co_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_15
737
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_5
738
+ fe_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_10
739
+ mn_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_4_30
740
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_3_5
741
+ fe_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_5_0
742
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_5_15
743
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_4_0
744
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_4_5
745
+ fe_4_eq_phen_ax1_chloride_ax2_oxo_s_1_30
746
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_5_20
747
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_2_25
748
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_3_5
749
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_1_30
750
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_3_10
751
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_5_20
752
+ cr_5_eq_misc_ax1_misc_ax2_oxo_s_2_25
753
+ mn_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_2_5
754
+ cr_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_15
755
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_5_25
756
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_2_15
757
+ fe_5_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_5
758
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_5_20
759
+ fe_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_20
760
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_1_20
761
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_5_20
762
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_1_15
763
+ co_4_eq_en_ax1_pisc_ax2_oxo_s_2_5
764
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_5
765
+ co_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_0
766
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_1_10
767
+ fe_5_eq_pisc_ax1_cyanide_ax2_oxo_s_4_5
768
+ fe_5_eq_ox_ax1_water_ax2_oxo_s_4_30
769
+ cr_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_5
770
+ mn_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_3_10
771
+ mn_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_15
772
+ co_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_4_0
773
+ fe_5_eq_cyanide_ax1_water_ax2_oxo_s_4_30
774
+ mn_4_eq_water_ax1_carbonyl_ax2_oxo_s_2_0
775
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_1_20
776
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_3_5
777
+ mn_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_4_5
778
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_0
779
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_1_30
780
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_5
781
+ mn_4_eq_en_ax1_ammonia_ax2_oxo_s_2_15
782
+ mn_5_eq_ox_ax1_pisc_ax2_oxo_s_3_15
783
+ cr_5_eq_water_ax1_chloride_ax2_oxo_s_2_20
784
+ mn_4_eq_water_ax1_chloride_ax2_oxo_s_4_15
785
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_1_5
786
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_1_15
787
+ mn_5_eq_acac_ax1_cyanide_ax2_oxo_s_3_20
788
+ fe_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_4_0
789
+ mn_5_eq_ox_ax1_chloride_ax2_oxo_s_3_10
790
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_10
791
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_25
792
+ fe_4_eq_pisc_ax1_pisc_ax2_oxo_s_1_30
793
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_5_25
794
+ fe_5_eq_ammonia_ax1_water_ax2_oxo_s_4_25
795
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_1_30
796
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_30
797
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_4_15
798
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_25
799
+ mn_4_eq_bipy_ax1_carbonyl_ax2_oxo_s_4_20
800
+ fe_5_eq_en_ax1_cyanide_ax2_oxo_s_2_15
801
+ fe_5_eq_misc_ax1_misc_ax2_oxo_s_4_10
802
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_0
803
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_2_25
804
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_3_0
805
+ cr_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_10
806
+ mn_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_15
807
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_1_5
808
+ co_4_eq_water_ax1_water_ax2_oxo_s_4_5
809
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_1_30
810
+ mn_4_eq_acac_ax1_cyanide_ax2_oxo_s_4_5
811
+ cr_5_eq_water_ax1_carbonyl_ax2_oxo_s_2_10
812
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_3_30
813
+ mn_4_eq_acac_ax1_cyanide_ax2_oxo_s_2_5
814
+ co_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_25
815
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_0
816
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_5_25
817
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_2_30
818
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_15
819
+ fe_5_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_20
820
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_2_15
821
+ fe_5_eq_misc_ax1_misc_ax2_oxo_s_2_30
822
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_5_30
823
+ fe_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_4_30
824
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_3_10
825
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_5
826
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_0
827
+ fe_5_eq_porphyrin_ax1_water_ax2_oxo_s_4_30
828
+ fe_4_eq_phen_ax1_chloride_ax2_oxo_s_1_20
829
+ mn_4_eq_en_ax1_cyanide_ax2_oxo_s_2_20
830
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_3_25
831
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_1_20
832
+ cr_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_2_0
833
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_15
834
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_3_25
835
+ mn_4_eq_en_ax1_ammonia_ax2_oxo_s_4_0
836
+ mn_4_eq_pisc_ax1_water_ax2_oxo_s_2_25
837
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_3_30
838
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_5_5
839
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_3_0
840
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_5_5
841
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_3_20
842
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_1_25
843
+ mn_4_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_20
844
+ cr_5_eq_water_ax1_water_ax2_oxo_s_2_5
845
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_1_30
846
+ fe_5_eq_acac_ax1_cyanide_ax2_oxo_s_2_15
847
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_3_20
848
+ fe_5_eq_porphyrin_ax1_water_ax2_oxo_s_4_20
849
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_5_5
850
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_20
851
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_20
852
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_5_25
853
+ fe_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_5_30
854
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_20
855
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_3_5
856
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_1_15
857
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_4_0
858
+ fe_4_eq_pisc_ax1_pisc_ax2_oxo_s_1_25
859
+ cr_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_5
860
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_5
861
+ fe_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_20
862
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_30
863
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_3_20
864
+ fe_4_eq_ox_ax1_chloride_ax2_oxo_s_5_20
865
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_1_15
866
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_20
867
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_3_30
868
+ fe_5_eq_acac_ax1_chloride_ax2_oxo_s_2_5
869
+ fe_5_eq_cyanide_ax1_water_ax2_oxo_s_4_0
870
+ mn_5_eq_en_ax1_carbonyl_ax2_oxo_s_3_30
871
+ fe_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_4_5
872
+ fe_5_eq_porphyrin_ax1_water_ax2_oxo_s_4_25
873
+ fe_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_3_5
874
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_10
875
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_1_15
876
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_2_15
877
+ co_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_15
878
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_1_10
879
+ fe_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_4_20
880
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_1_25
881
+ mn_4_eq_acac_ax1_chloride_ax2_oxo_s_4_0
882
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_3_30
883
+ mn_5_eq_en_ax1_pisc_ax2_oxo_s_1_20
884
+ mn_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_2_25
885
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_5_25
886
+ co_4_eq_misc_ax1_misc_ax2_oxo_s_4_30
887
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_5_30
888
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_2_0
889
+ mn_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_15
890
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_1_0
891
+ fe_5_eq_en_ax1_water_ax2_oxo_s_2_5
892
+ cr_4_eq_water_ax1_thiocyanate_ax2_oxo_s_3_5
893
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_25
894
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_2_15
895
+ cr_5_eq_water_ax1_chloride_ax2_oxo_s_2_10
896
+ mn_4_eq_en_ax1_cyanide_ax2_oxo_s_4_10
897
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_1_30
898
+ mn_4_eq_isothiocyanate_ax1_water_ax2_oxo_s_2_30
899
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_5_30
900
+ mn_5_eq_chloride_ax1_pisc_ax2_oxo_s_3_5
901
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_15
902
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_1_25
903
+ mn_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_0
904
+ cr_5_eq_water_ax1_carbonyl_ax2_oxo_s_2_15
905
+ mn_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_30
906
+ cr_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_10
907
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_2_20
908
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_3_30
909
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_4_30
910
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_20
911
+ cr_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_30
912
+ mn_4_eq_acac_ax1_chloride_ax2_oxo_s_2_10
913
+ mn_4_eq_en_ax1_ammonia_ax2_oxo_s_4_10
914
+ fe_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_5_10
915
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_25
916
+ mn_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_25
917
+ co_4_eq_water_ax1_water_ax2_oxo_s_4_0
918
+ mn_4_eq_en_ax1_carbonyl_ax2_oxo_s_4_30
919
+ co_4_eq_misc_ax1_misc_ax2_oxo_s_4_25
920
+ cr_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_1_20
921
+ mn_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_1_10
922
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_4_5
923
+ mn_5_eq_misc_ax1_misc_ax2_oxo_s_1_5
924
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_10
925
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_1_15
926
+ fe_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_4_10
927
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_25
928
+ fe_5_eq_ammonia_ax1_pisc_ax2_oxo_s_4_20
929
+ mn_4_eq_en_ax1_ammonia_ax2_oxo_s_2_0
930
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_30
931
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_1_25
932
+ mn_4_eq_pisc_ax1_cyanide_ax2_oxo_s_4_20
933
+ mn_5_eq_pisc_ax1_water_ax2_oxo_s_1_20
934
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_4_20
935
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_20
936
+ fe_4_eq_phen_ax1_chloride_ax2_oxo_s_1_15
937
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_4_0
938
+ fe_5_eq_cyanide_ax1_water_ax2_oxo_s_4_25
939
+ co_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_3_10
940
+ cr_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_5
941
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_15
942
+ mn_4_eq_acac_ax1_cyanide_ax2_oxo_s_2_20
943
+ mn_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_4_25
944
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_3_15
945
+ co_5_eq_ammonia_ax1_water_ax2_oxo_s_3_20
946
+ mn_5_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_3_5
947
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_5_30
948
+ mn_4_eq_ammonia_ax1_water_ax2_oxo_s_2_5
949
+ cr_5_eq_water_ax1_water_ax2_oxo_s_2_0
950
+ co_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_20
951
+ mn_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_2_30
952
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_1_0
953
+ fe_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_5_20
954
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_1_30
955
+ mn_4_eq_bipy_ax1_water_ax2_oxo_s_4_0
956
+ fe_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_5
957
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_1_15
958
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_30
959
+ mn_5_eq_ammonia_ax1_pisc_ax2_oxo_s_1_5
960
+ mn_5_eq_ammonia_ax1_water_ax2_oxo_s_1_15
961
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_20
962
+ fe_5_eq_ox_ax1_pisc_ax2_oxo_s_4_25
963
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_5
964
+ mn_5_eq_water_ax1_chloride_ax2_oxo_s_1_20
965
+ mn_4_eq_en_ax1_water_ax2_oxo_s_2_10
966
+ fe_4_eq_water_ax1_water_ax2_oxo_s_3_0
967
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_3_5
968
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_10
969
+ mn_5_eq_ox_ax1_chloride_ax2_oxo_s_3_15
970
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_5_15
971
+ fe_5_eq_phen_ax1_water_ax2_oxo_s_4_15
972
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_5_0
973
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_1_25
974
+ fe_5_eq_water_ax1_pisc_ax2_oxo_s_4_5
975
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_20
976
+ mn_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_2_25
977
+ fe_5_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_5
978
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_5_20
979
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_5_20
980
+ mn_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_2_15
981
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_4_25
982
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_5_0
983
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_3_15
984
+ fe_5_eq_en_ax1_cyanide_ax2_oxo_s_4_5
985
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_4_0
986
+ fe_5_eq_porphyrin_ax1_water_ax2_oxo_s_4_0
987
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_3_20
988
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_3_25
989
+ fe_4_eq_pisc_ax1_water_ax2_oxo_s_3_5
990
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_4_30
991
+ mn_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_0
992
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_15
993
+ fe_5_eq_acac_ax1_chloride_ax2_oxo_s_4_5
994
+ mn_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_2_10
995
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_2_0
996
+ mn_5_eq_chloride_ax1_pisc_ax2_oxo_s_3_0
997
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_5_10
998
+ fe_5_eq_en_ax1_cyanide_ax2_oxo_s_4_30
999
+ mn_5_eq_water_ax1_water_ax2_oxo_s_1_5
1000
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_5_10
1001
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_5_15
1002
+ cr_4_eq_chloride_ax1_chloride_ax2_oxo_s_3_30
1003
+ fe_5_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_10
1004
+ fe_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_3_0
1005
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_5_30
1006
+ fe_5_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_20
1007
+ fe_5_eq_en_ax1_pisc_ax2_oxo_s_4_20
1008
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_1_15
1009
+ co_4_eq_ammonia_ax1_water_ax2_oxo_s_4_0
1010
+ fe_5_eq_chloride_ax1_pisc_ax2_oxo_s_4_5
1011
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_1_0
1012
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_5_15
1013
+ fe_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_4_25
1014
+ mn_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_25
1015
+ mn_5_eq_en_ax1_ammonia_ax2_oxo_s_1_10
1016
+ co_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_15
1017
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_25
1018
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_25
1019
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_1_0
1020
+ co_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_25
1021
+ fe_5_eq_ox_ax1_chloride_ax2_oxo_s_2_10
1022
+ cr_5_eq_en_ax1_ammonia_ax2_oxo_s_2_0
1023
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_2_15
1024
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_5_30
1025
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_3_20
1026
+ mn_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_0
1027
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_3_25
1028
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_2_20
1029
+ fe_5_eq_en_ax1_pisc_ax2_oxo_s_4_15
1030
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_3_15
1031
+ fe_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_0
1032
+ fe_4_eq_pisc_ax1_cyanide_ax2_oxo_s_1_30
1033
+ fe_5_eq_water_ax1_pisc_ax2_oxo_s_2_5
1034
+ mn_5_eq_en_ax1_carbonyl_ax2_oxo_s_3_25
1035
+ mn_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_5
1036
+ mn_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_30
1037
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_1_5
1038
+ fe_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_10
1039
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_10
1040
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_5_5
1041
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_3_30
1042
+ mn_4_eq_bipy_ax1_ammonia_ax2_oxo_s_2_0
1043
+ mn_4_eq_en_ax1_ammonia_ax2_oxo_s_2_5
1044
+ mn_4_eq_en_ax1_cyanide_ax2_oxo_s_2_15
1045
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_1_5
1046
+ cr_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_0
1047
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_3_20
1048
+ mn_4_eq_en_ax1_ammonia_ax2_oxo_s_2_30
1049
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_15
1050
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_0
1051
+ cr_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_25
1052
+ cr_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_1_0
1053
+ mn_5_eq_acac_ax1_cyanide_ax2_oxo_s_3_10
1054
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_3_10
1055
+ mn_5_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_3_15
1056
+ fe_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_5
1057
+ mn_4_eq_cyanide_ax1_water_ax2_oxo_s_4_10
1058
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_25
1059
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_5_0
1060
+ mn_4_eq_water_ax1_carbonyl_ax2_oxo_s_2_30
1061
+ fe_4_eq_en_ax1_water_ax2_oxo_s_5_20
1062
+ cr_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_15
1063
+ mn_5_eq_pisc_ax1_water_ax2_oxo_s_3_30
1064
+ mn_4_eq_ammonia_ax1_water_ax2_oxo_s_2_10
1065
+ co_5_eq_acac_ax1_cyanide_ax2_oxo_s_3_5
1066
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_1_30
1067
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_5_5
1068
+ fe_4_eq_en_ax1_water_ax2_oxo_s_3_20
1069
+ mn_5_eq_en_ax1_water_ax2_oxo_s_3_20
1070
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_25
1071
+ fe_4_eq_phen_ax1_ammonia_ax2_oxo_s_1_30
1072
+ co_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_20
1073
+ fe_5_eq_misc_ax1_misc_ax2_oxo_s_2_25
1074
+ fe_5_eq_phen_ax1_chloride_ax2_oxo_s_4_25
1075
+ fe_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_1_20
1076
+ mn_4_eq_en_ax1_cyanide_ax2_oxo_s_2_10
1077
+ mn_5_eq_en_ax1_carbonyl_ax2_oxo_s_3_5
1078
+ cr_4_eq_water_ax1_carbonyl_ax2_oxo_s_3_20
1079
+ fe_5_eq_en_ax1_water_ax2_oxo_s_2_0
1080
+ fe_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_1_15
1081
+ fe_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_1_5
1082
+ cr_5_eq_water_ax1_water_ax2_oxo_s_2_20
1083
+ fe_5_eq_ammonia_ax1_pisc_ax2_oxo_s_4_15
1084
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_25
1085
+ co_4_eq_misc_ax1_misc_ax2_oxo_s_4_0
1086
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_4_10
1087
+ fe_4_eq_en_ax1_water_ax2_oxo_s_1_25
1088
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_3_10
1089
+ fe_5_eq_phen_ax1_ammonia_ax2_oxo_s_4_15
1090
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_20
1091
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_1_30
1092
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_5_5
1093
+ cr_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_30
1094
+ mn_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_4_15
1095
+ fe_4_eq_chloride_ax1_chloride_ax2_oxo_s_1_15
1096
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_30
1097
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_0
1098
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_30
1099
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_25
1100
+ mn_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_2_0
1101
+ mn_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_0
1102
+ fe_4_eq_pisc_ax1_water_ax2_oxo_s_3_15
1103
+ fe_5_eq_pisc_ax1_chloride_ax2_oxo_s_4_25
1104
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_3_0
1105
+ co_4_eq_acac_ax1_carbonyl_ax2_oxo_s_2_0
1106
+ mn_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_2_15
1107
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_1_20
1108
+ fe_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_3_20
1109
+ mn_4_eq_water_ax1_pisc_ax2_oxo_s_2_5
1110
+ fe_5_eq_ammonia_ax1_pisc_ax2_oxo_s_4_5
1111
+ mn_5_eq_en_ax1_ammonia_ax2_oxo_s_3_30
1112
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_1_10
1113
+ fe_5_eq_porphyrin_ax1_water_ax2_oxo_s_4_10
1114
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_10
1115
+ mn_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_25
1116
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_4_20
1117
+ mn_4_eq_en_ax1_ammonia_ax2_oxo_s_2_25
1118
+ fe_5_eq_pisc_ax1_cyanide_ax2_oxo_s_4_20
1119
+ fe_5_eq_ammonia_ax1_pisc_ax2_oxo_s_4_10
1120
+ fe_5_eq_phen_ax1_water_ax2_oxo_s_4_25
1121
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_3_10
1122
+ fe_5_eq_acac_ax1_chloride_ax2_oxo_s_4_15
1123
+ fe_5_eq_water_ax1_carbonyl_ax2_oxo_s_4_30
1124
+ fe_5_eq_misc_ax1_misc_ax2_oxo_s_4_25
1125
+ mn_4_eq_pisc_ax1_cyanide_ax2_oxo_s_4_5
1126
+ mn_4_eq_en_ax1_water_ax2_oxo_s_4_0
1127
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_15
1128
+ mn_5_eq_chloride_ax1_chloride_ax2_oxo_s_3_0
1129
+ mn_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_4_20
1130
+ fe_5_eq_ammonia_ax1_water_ax2_oxo_s_4_0
1131
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_20
1132
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_1_5
1133
+ fe_5_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_30
1134
+ fe_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_1_25
1135
+ mn_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_15
1136
+ fe_5_eq_en_ax1_pisc_ax2_oxo_s_4_30
1137
+ cr_4_eq_misc_ax1_misc_ax2_oxo_s_1_30
1138
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_5
1139
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_4_15
1140
+ mn_4_eq_acac_ax1_chloride_ax2_oxo_s_2_30
1141
+ cr_4_eq_water_ax1_water_ax2_oxo_s_3_5
1142
+ mn_5_eq_water_ax1_water_ax2_oxo_s_1_10
1143
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_3_10
1144
+ mn_4_eq_acac_ax1_chloride_ax2_oxo_s_2_25
1145
+ fe_5_eq_pisc_ax1_chloride_ax2_oxo_s_4_10
1146
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_10
1147
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_1_25
1148
+ fe_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_5
1149
+ mn_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_5
1150
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_20
1151
+ cr_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_25
1152
+ co_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_4_30
1153
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_2_25
1154
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_2_0
1155
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_2_20
1156
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_1_5
1157
+ co_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_10
1158
+ co_4_eq_en_ax1_pisc_ax2_oxo_s_2_0
1159
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_10
1160
+ fe_5_eq_en_ax1_cyanide_ax2_oxo_s_2_5
1161
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_3_10
1162
+ mn_5_eq_en_ax1_pisc_ax2_oxo_s_3_30
1163
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_20
1164
+ cr_4_eq_water_ax1_water_ax2_oxo_s_3_20
1165
+ co_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_0
1166
+ fe_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_0
1167
+ fe_5_eq_acac_ax1_chloride_ax2_oxo_s_4_30
1168
+ mn_4_eq_tbuc_ax1_ammonia_ax2_oxo_s_4_5
1169
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_25
1170
+ mn_4_eq_en_ax1_water_ax2_oxo_s_2_0
1171
+ fe_5_eq_acac_ax1_chloride_ax2_oxo_s_4_10
1172
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_3_5
1173
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_0
1174
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_5_0
1175
+ co_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_25
1176
+ mn_5_eq_acac_ax1_chloride_ax2_oxo_s_3_0
1177
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_5_20
1178
+ fe_5_eq_porphyrin_ax1_water_ax2_oxo_s_4_5
1179
+ mn_4_eq_bipy_ax1_water_ax2_oxo_s_4_30
1180
+ mn_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_5
1181
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_15
1182
+ fe_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_4_0
1183
+ fe_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_5_30
1184
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_10
1185
+ mn_5_eq_phen_ax1_chloride_ax2_oxo_s_1_25
1186
+ mn_4_eq_bipy_ax1_water_ax2_oxo_s_4_10
1187
+ fe_5_eq_water_ax1_pisc_ax2_oxo_s_4_15
1188
+ mn_5_eq_bipy_ax1_water_ax2_oxo_s_3_20
1189
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_15
1190
+ mn_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_2_15
1191
+ fe_5_eq_acac_ax1_chloride_ax2_oxo_s_2_0
1192
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_4_10
1193
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_30
1194
+ mn_5_eq_water_ax1_pisc_ax2_oxo_s_1_5
1195
+ mn_5_eq_bipy_ax1_water_ax2_oxo_s_3_15
1196
+ fe_5_eq_phen_ax1_ammonia_ax2_oxo_s_4_10
1197
+ mn_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_2_10
1198
+ fe_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_30
1199
+ mn_4_eq_isothiocyanate_ax1_carbonyl_ax2_oxo_s_2_20
1200
+ mn_5_eq_phen_ax1_chloride_ax2_oxo_s_1_15
1201
+ mn_4_eq_en_ax1_water_ax2_oxo_s_4_5
1202
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_3_30
1203
+ cr_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_2_10
1204
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_3_15
1205
+ cr_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_2_25
1206
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_20
1207
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_1_10
1208
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_3_25
1209
+ fe_5_eq_acac_ax1_cyanide_ax2_oxo_s_2_25
1210
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_5_25
1211
+ mn_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_30
1212
+ mn_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_30
1213
+ fe_4_eq_en_ax1_water_ax2_oxo_s_1_15
1214
+ fe_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_5_5
1215
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_10
1216
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_5_20
1217
+ mn_5_eq_water_ax1_chloride_ax2_oxo_s_1_5
1218
+ fe_4_eq_water_ax1_water_ax2_oxo_s_5_15
1219
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_30
1220
+ cr_4_eq_water_ax1_water_ax2_oxo_s_3_10
1221
+ fe_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_4_0
1222
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_5
1223
+ fe_4_eq_water_ax1_water_ax2_oxo_s_5_10
1224
+ fe_4_eq_acac_ax1_ammonia_ax2_oxo_s_3_5
1225
+ fe_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_3_0
1226
+ mn_5_eq_ox_ax1_chloride_ax2_oxo_s_3_0
1227
+ fe_5_eq_acac_ax1_chloride_ax2_oxo_s_4_0
1228
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_5_10
1229
+ cr_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_5
1230
+ cr_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_3_30
1231
+ fe_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_0
1232
+ cr_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_20
1233
+ mn_5_eq_pisc_ax1_water_ax2_oxo_s_1_25
1234
+ co_4_eq_water_ax1_water_ax2_oxo_s_4_25
1235
+ fe_5_eq_en_ax1_cyanide_ax2_oxo_s_2_0
1236
+ mn_5_eq_chloride_ax1_pisc_ax2_oxo_s_3_15
1237
+ co_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_4_5
1238
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_1_25
1239
+ co_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_0
1240
+ fe_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_5_0
1241
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_5_20
1242
+ mn_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_20
1243
+ mn_4_eq_pisc_ax1_water_ax2_oxo_s_4_15
1244
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_2_5
1245
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_20
1246
+ mn_4_eq_acac_ax1_cyanide_ax2_oxo_s_2_0
1247
+ cr_5_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_15
1248
+ cr_4_eq_misc_ax1_misc_ax2_oxo_s_1_15
1249
+ fe_4_eq_water_ax1_water_ax2_oxo_s_1_0
1250
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_3_15
1251
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_1_0
1252
+ mn_5_eq_en_ax1_water_ax2_oxo_s_3_15
1253
+ mn_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_30
1254
+ co_4_eq_water_ax1_water_ax2_oxo_s_4_20
1255
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_5_0
1256
+ cr_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_5
1257
+ fe_5_eq_ox_ax1_chloride_ax2_oxo_s_4_25
1258
+ mn_4_eq_water_ax1_chloride_ax2_oxo_s_4_10
1259
+ cr_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_20
1260
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_1_20
1261
+ fe_4_eq_pisc_ax1_water_ax2_oxo_s_3_10
1262
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_30
1263
+ fe_4_eq_chloride_ax1_chloride_ax2_oxo_s_1_10
1264
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_1_15
1265
+ fe_5_eq_pisc_ax1_cyanide_ax2_oxo_s_4_0
1266
+ co_5_eq_cyanide_ax1_water_ax2_oxo_s_1_25
1267
+ fe_4_eq_ox_ax1_chloride_ax2_oxo_s_5_0
1268
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_1_25
1269
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_1_0
1270
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_5_30
1271
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_20
1272
+ cr_5_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_2_20
1273
+ fe_5_eq_ammonia_ax1_water_ax2_oxo_s_2_5
1274
+ fe_5_eq_pisc_ax1_water_ax2_oxo_s_4_0
1275
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_2_20
1276
+ cr_4_eq_misc_ax1_misc_ax2_oxo_s_1_5
1277
+ cr_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_15
1278
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_1_15
1279
+ mn_4_eq_bipy_ax1_ammonia_ax2_oxo_s_4_20
1280
+ fe_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_0
1281
+ fe_4_eq_en_ax1_water_ax2_oxo_s_3_15
1282
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_10
1283
+ fe_4_eq_acac_ax1_cyanide_ax2_oxo_s_1_20
1284
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_5_10
1285
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_1_0
1286
+ fe_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_5_10
1287
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_10
1288
+ fe_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_15
1289
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_4_15
1290
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_10
1291
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_3_0
1292
+ mn_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_3_20
1293
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_1_0
1294
+ mn_4_eq_pisc_ax1_water_ax2_oxo_s_4_5
1295
+ mn_4_eq_phen_ax1_ammonia_ax2_oxo_s_2_15
1296
+ mn_5_eq_acac_ax1_cyanide_ax2_oxo_s_3_30
1297
+ cr_4_eq_water_ax1_chloride_ax2_oxo_s_3_0
1298
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_5_20
1299
+ mn_4_eq_misc_ax1_misc_ax2_oxo_s_4_30
1300
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_0
1301
+ cr_4_eq_misc_ax1_misc_ax2_oxo_s_1_25
1302
+ fe_5_eq_cyanide_ax1_cyanide_ax2_oxo_s_4_25
1303
+ mn_4_eq_porphyrin_ax1_water_ax2_oxo_s_2_15
1304
+ co_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_10
1305
+ co_5_eq_cyanide_ax1_water_ax2_oxo_s_1_10
1306
+ mn_4_eq_pisc_ax1_cyanide_ax2_oxo_s_4_30
1307
+ fe_5_eq_misc_ax1_misc_ax2_oxo_s_4_15
1308
+ fe_4_eq_isothiocyanate_ax1_carbonyl_ax2_oxo_s_1_0
1309
+ cr_4_eq_chloride_ax1_chloride_ax2_oxo_s_3_25
1310
+ fe_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_5_25
1311
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_0
1312
+ fe_5_eq_water_ax1_pisc_ax2_oxo_s_4_0
1313
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_5
1314
+ mn_5_eq_water_ax1_pisc_ax2_oxo_s_1_15
1315
+ mn_5_eq_en_ax1_water_ax2_oxo_s_3_5
1316
+ mn_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_30
1317
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_20
1318
+ mn_4_eq_en_ax1_pisc_ax2_oxo_s_2_30
1319
+ mn_4_eq_ammonia_ax1_water_ax2_oxo_s_2_0
1320
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_1_25
1321
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_3_10
1322
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_3_0
1323
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_5_20
1324
+ mn_5_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_3_10
1325
+ fe_5_eq_phen_ax1_water_ax2_oxo_s_4_20
1326
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_3_25
1327
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_1_0
1328
+ mn_4_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_10
1329
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_5_10
1330
+ fe_4_eq_water_ax1_water_ax2_oxo_s_5_25
1331
+ mn_4_eq_bipy_ax1_ammonia_ax2_oxo_s_2_15
1332
+ mn_4_eq_en_ax1_water_ax2_oxo_s_2_15
1333
+ cr_5_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_5
1334
+ cr_4_eq_water_ax1_water_ax2_oxo_s_1_25
1335
+ fe_4_eq_en_ax1_carbonyl_ax2_oxo_s_1_10
1336
+ fe_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_5_20
1337
+ fe_4_eq_isothiocyanate_ax1_carbonyl_ax2_oxo_s_1_20
1338
+ mn_5_eq_ammonia_ax1_water_ax2_oxo_s_3_30
1339
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_1_15
1340
+ cr_4_eq_misc_ax1_misc_ax2_oxo_s_1_0
1341
+ mn_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_1_25
1342
+ co_5_eq_acac_ax1_cyanide_ax2_oxo_s_3_20
1343
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_1_5
1344
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_5_5
1345
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_10
1346
+ mn_4_eq_ammonia_ax1_water_ax2_oxo_s_4_10
1347
+ fe_5_eq_porphyrin_ax1_water_ax2_oxo_s_2_0
1348
+ fe_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_1_20
1349
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_4_5
1350
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_1_15
1351
+ co_4_eq_misc_ax1_misc_ax2_oxo_s_4_5
1352
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_15
1353
+ fe_5_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_5
1354
+ mn_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_15
1355
+ co_5_eq_misc_ax1_misc_ax2_oxo_s_1_30
1356
+ mn_4_eq_ammonia_ax1_pisc_ax2_oxo_s_2_10
1357
+ fe_4_eq_phen_ax1_ammonia_ax2_oxo_s_1_5
1358
+ co_4_eq_acac_ax1_cyanide_ax2_oxo_s_2_20
1359
+ fe_4_eq_en_ax1_water_ax2_oxo_s_5_30
1360
+ mn_4_eq_water_ax1_water_ax2_oxo_s_4_0
1361
+ cr_5_eq_en_ax1_ammonia_ax2_oxo_s_2_5
1362
+ mn_4_eq_isothiocyanate_ax1_pisc_ax2_oxo_s_2_15
1363
+ fe_5_eq_porphyrin_ax1_water_ax2_oxo_s_4_15
1364
+ fe_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_1_10
1365
+ mn_4_eq_misc_ax1_misc_ax2_oxo_s_4_20
1366
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_3_10
1367
+ cr_4_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_3_25
1368
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_3_25
1369
+ mn_5_eq_ammonia_ax1_pisc_ax2_oxo_s_3_20
1370
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_3_20
1371
+ fe_5_eq_ammonia_ax1_water_ax2_oxo_s_2_10
1372
+ co_5_eq_ammonia_ax1_water_ax2_oxo_s_1_25
1373
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_1_20
1374
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_3_5
1375
+ fe_5_eq_ox_ax1_chloride_ax2_oxo_s_4_5
1376
+ co_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_5
1377
+ co_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_20
1378
+ fe_5_eq_ammonia_ax1_water_ax2_oxo_s_4_15
1379
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_5_20
1380
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_1_25
1381
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_5_25
1382
+ co_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_1_15
1383
+ fe_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_1_5
1384
+ fe_5_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_10
1385
+ mn_4_eq_phen_ax1_chloride_ax2_oxo_s_4_20
1386
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_2_0
1387
+ cr_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_3_30
1388
+ fe_5_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_25
1389
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_20
1390
+ cr_5_eq_en_ax1_ammonia_ax2_oxo_s_2_15
1391
+ fe_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_5_15
1392
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_3_5
1393
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_4_15
1394
+ fe_5_eq_chloride_ax1_pisc_ax2_oxo_s_4_15
1395
+ fe_4_eq_phen_ax1_chloride_ax2_oxo_s_5_20
1396
+ co_4_eq_misc_ax1_misc_ax2_oxo_s_4_20
1397
+ co_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_4_15
1398
+ fe_5_eq_pisc_ax1_cyanide_ax2_oxo_s_4_30
1399
+ mn_5_eq_chloride_ax1_pisc_ax2_oxo_s_3_10
1400
+ fe_4_eq_ammonia_ax1_water_ax2_oxo_s_5_5
1401
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_5_20
1402
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_1_25
1403
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_5_30
1404
+ fe_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_5
1405
+ mn_4_eq_water_ax1_water_ax2_oxo_s_4_10
1406
+ co_5_eq_ammonia_ax1_water_ax2_oxo_s_3_25
1407
+ fe_4_eq_en_ax1_water_ax2_oxo_s_3_25
1408
+ fe_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_5_30
1409
+ cr_4_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_1_25
1410
+ mn_5_eq_ox_ax1_chloride_ax2_oxo_s_3_20
1411
+ fe_5_eq_ox_ax1_chloride_ax2_oxo_s_4_0
1412
+ fe_4_eq_en_ax1_ammonia_ax2_oxo_s_3_25
1413
+ co_5_eq_en_ax1_pisc_ax2_oxo_s_1_15
1414
+ mn_5_eq_acac_ax1_ammonia_ax2_oxo_s_1_5
1415
+ mn_5_eq_carbonyl_ax1_ammonia_ax2_oxo_s_3_10
1416
+ mn_4_eq_ox_ax1_pisc_ax2_oxo_s_4_25
1417
+ fe_4_eq_phen_ax1_ammonia_ax2_oxo_s_1_15
1418
+ fe_5_eq_ammonia_ax1_pisc_ax2_oxo_s_4_25
1419
+ cr_4_eq_en_ax1_carbonyl_ax2_oxo_s_3_25
1420
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_3_10
1421
+ mn_5_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_3_0
1422
+ fe_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_5_15
1423
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_2_0
1424
+ fe_4_eq_phen_ax1_water_ax2_oxo_s_1_10
1425
+ fe_5_eq_en_ax1_water_ax2_oxo_s_2_10
1426
+ mn_4_eq_isothiocyanate_ax1_ammonia_ax2_oxo_s_2_0
1427
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_3_20
1428
+ cr_4_eq_water_ax1_carbonyl_ax2_oxo_s_3_10
1429
+ fe_5_eq_cyanide_ax1_isothiocyanate_ax2_oxo_s_4_30
1430
+ fe_4_eq_acac_ax1_chloride_ax2_oxo_s_1_30
1431
+ co_5_eq_acac_ax1_ammonia_ax2_oxo_s_3_25
1432
+ cr_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_2_30
1433
+ mn_5_eq_en_ax1_water_ax2_oxo_s_3_10
1434
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_3_25
1435
+ mn_4_eq_porphyrin_ax1_ammonia_ax2_oxo_s_2_5
1436
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_2_5
1437
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_3_15
1438
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_0
1439
+ co_4_eq_carbonyl_ax1_ammonia_ax2_oxo_s_4_0
1440
+ fe_4_eq_pisc_ax1_chloride_ax2_oxo_s_1_25
1441
+ mn_5_eq_ox_ax1_water_ax2_oxo_s_3_20
1442
+ mn_5_eq_misc_ax1_misc_ax2_oxo_s_1_15
1443
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_1_10
1444
+ fe_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_4_10
1445
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_5_10
1446
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_20
1447
+ cr_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_2_10
1448
+ cr_4_eq_cyanide_ax1_cyanide_ax2_oxo_s_1_15
1449
+ fe_5_eq_en_ax1_ammonia_ax2_oxo_s_4_25
1450
+ cr_4_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_20
1451
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_30
1452
+ co_4_eq_acac_ax1_ammonia_ax2_oxo_s_2_30
1453
+ fe_5_eq_en_ax1_pisc_ax2_oxo_s_4_5
1454
+ mn_5_eq_acac_ax1_cyanide_ax2_oxo_s_3_15
1455
+ mn_5_eq_ammonia_ax1_carbonyl_ax2_oxo_s_1_5
1456
+ cr_4_eq_water_ax1_thiocyanate_ax2_oxo_s_3_30
1457
+ fe_4_eq_cyanide_ax1_ammonia_ax2_oxo_s_3_10
1458
+ mn_5_eq_chloride_ax1_chloride_ax2_oxo_s_3_10
1459
+ mn_4_eq_ammonia_ax1_water_ax2_oxo_s_4_0
1460
+ mn_5_eq_ammonia_ax1_ammonia_ax2_oxo_s_3_15
1461
+ mn_4_eq_ox_ax1_pisc_ax2_oxo_s_4_15
1462
+ fe_4_eq_porphyrin_ax1_water_ax2_oxo_s_1_0
1463
+ fe_5_eq_carbonyl_ax1_carbonyl_ax2_oxo_s_2_10
1464
+ co_4_eq_ammonia_ax1_ammonia_ax2_oxo_s_4_15
1465
+ cr_5_eq_water_ax1_carbonyl_ax2_oxo_s_2_0
1466
+ mn_5_eq_en_ax1_carbonyl_ax2_oxo_s_3_10
1467
+ fe_5_eq_porphyrin_ax1_cyanide_ax2_oxo_s_4_10
1468
+ mn_5_eq_porphyrin_ax1_water_ax2_oxo_s_3_15
1469
+ fe_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_5_30
1470
+ fe_5_eq_cyanide_ax1_ammonia_ax2_oxo_s_4_0
1471
+ mn_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_4_5
1472
+ mn_4_eq_ammonia_ax1_cyanide_ax2_oxo_s_2_5
1473
+ fe_4_eq_isothiocyanate_ax1_chloride_ax2_oxo_s_1_20
1474
+ mn_4_eq_carbonyl_ax1_cyanide_ax2_oxo_s_4_0
1475
+ fe_4_eq_en_ax1_pisc_ax2_oxo_s_5_15
1476
+ fe_4_eq_ox_ax1_chloride_ax2_oxo_s_1_25
1477
+ fe_4_eq_en_ax1_cyanide_ax2_oxo_s_1_15
1478
+ fe_4_eq_water_ax1_pisc_ax2_oxo_s_1_20
1479
+ mn_4_eq_en_ax1_water_ax2_oxo_s_2_5
1480
+ fe_4_eq_isothiocyanate_ax1_carbonyl_ax2_oxo_s_1_25
1481
+ fe_4_eq_phen_ax1_ammonia_ax2_oxo_s_1_0
1482
+ fe_5_eq_en_ax1_carbonyl_ax2_oxo_s_4_0
1483
+ fe_4_eq_pisc_ax1_water_ax2_oxo_s_3_20
1484
+ mn_5_eq_carbonyl_ax1_cyanide_ax2_oxo_s_1_25
1485
+ cr_5_eq_en_ax1_ammonia_ax2_oxo_s_2_25
1486
+ fe_4_eq_water_ax1_chloride_ax2_oxo_s_1_15
1487
+ fe_4_eq_ammonia_ax1_carbonyl_ax2_oxo_s_1_10
1488
+ fe_4_eq_ox_ax1_chloride_ax2_oxo_s_5_30
1489
+ fe_4_eq_isothiocyanate_ax1_cyanide_ax2_oxo_s_1_15
1490
+ mn_5_eq_en_ax1_pisc_ax2_oxo_s_1_15
1491
+ fe_5_eq_phen_ax1_ammonia_ax2_oxo_s_4_20
1492
+ mn_4_eq_ox_ax1_isothiocyanate_ax2_oxo_s_4_30
1493
+ fe_4_eq_acac_ax1_isothiocyanate_ax2_oxo_s_1_10
1494
+ mn_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_2_30
1495
+ cr_4_eq_en_ax1_ammonia_ax2_oxo_s_3_5
1496
+ mn_4_eq_bipy_ax1_carbonyl_ax2_oxo_s_4_15
1497
+ mn_5_eq_ammonia_ax1_water_ax2_oxo_s_1_0
1498
+ fe_4_eq_water_ax1_carbonyl_ax2_oxo_s_3_30
1499
+ mn_5_eq_en_ax1_cyanide_ax2_oxo_s_1_15
1500
+ fe_4_eq_ammonia_ax1_pisc_ax2_oxo_s_3_5
1501
+ fe_5_eq_ammonia_ax1_water_ax2_oxo_s_2_0
1502
+ co_5_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_5
1503
+ cr_4_eq_water_ax1_isothiocyanate_ax2_oxo_s_1_25
1504
+ mn_5_eq_en_ax1_carbonyl_ax2_oxo_s_3_20
1505
+ mn_5_eq_isothiocyanate_ax1_isothiocyanate_ax2_oxo_s_3_20
1506
+ fe_4_eq_misc_ax1_misc_ax2_oxo_s_3_15
1507
+ cr_4_eq_water_ax1_water_ax2_oxo_s_3_25