Shortened Excel file of Thermotable (excel) computing standard (apparent) chemical potentials, standard biochemical potentials, and standard metabolic potentials

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Value:

WffBiochemdataexcel The data sources for the standa

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1410. phenylalanineL+ ? -species	phenylalanineL+ ? -species	phenylalanineL+ ? -species	C9H12NO2 +	1450	1410	phenylalanineL+ ? -species	1496		9	12	1	2	0	0	0	1		4	40	48	166.1	-221.2	-	-		-207.1	-	-	-	-	-		-	-	-	-	-	-207.1	-	-	-466.9	-	-		-	-	-	-	-		_	-111.6	-466.9344	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-221.2	-221.2	E	-212.9656	-50.9	-8.234399999999994		phenylalanineL+ ? -species	-466.9344	<PX	573.1667295046118																					573.1667295046118	573.1667295046118	573.1667295046118	1434.2466803557884	-211.30963340600368	604.1586500536762	866.556373087105	1137.5242526462214	1434.125977243822	1746.3583449615114	2063.2440024836346	2394.899083344651	-211.30963340600368	287.4610805492204	286.7206439540366	286.7206439540366	590.9609192069572	573.1476794228421	573.1476794228421	573.1476794228421	1504.6409778397592	1171.6999501408673	1434.125977243822	-221.2	578.5409086302933			267.17920856993413							1410. phenylalanineL+ ? -species	-221.2	E	61.690866478664816	130.1869805090879	198.68309453951105	267.17920856993413	1.1452519923704523	335.6753226003573	404.17143663078036	472.66755066120345			472.66755066120345																														573.1667295046118															517.3050365401206	532.3995834600515	547.4927330581478	555.0387616593287	562.5844142874358	573.1476794228421	577.674556100942	592.7630874516932	607.8499372927155	638.01830825768	668.1791006200488
1411. phenylalanineL-species	phenylalanineL-species	phenylalanineL-species	C9H11NO2	1451	1411	phenylalanineL-species	1495		9	11	1	2	0	0	0	0		4	40	48	165.1		-	-		-207.1	-	-	-	-	-		-	-	-	-	-	-207.1	-	-	-466.9	-	-		-	-	-	-	-		_	-111.6	-466.9344	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-207.1	-207.1	A	-212.1288	-50.7	5.028800000000018		phenylalanineL-species	-466.9344	P	547.0104395176082	546.9913894358386	546.9913894358386	241.33264253817495	241.33264253817495	241.33	-0.0010949775161583908	241.33264253817498	241.33264253817498	0	215.29270318760908											547.0104395176082	547.0104395176082	547.0104395176082	1408.0903903687847	-196.64213382525574	595.8155998507877	852.2755762895115	1117.305709253923	1407.9696872568186	1714.2643083798027	2025.212219307221	2350.9295535735323	-196.64213382525574	260.56435396703307	260.56435396703307	260.56435396703307	564.8046292199538	546.9913894358386	546.9913894358386	546.9913894358386	1478.4846878527555	1145.5436601538636	1407.9696872568186	-207.1	552.6848560985409	546.9913894358386	546.9913894358386	241.32315603818174	0.9999716406504857	241.1	0.0027608230947731467	-0.09002013165897223	-0.09278095475374537	239.9	1411. phenylalanineL-species	-207.1	A	52.95884245451825	115.74694698240606	178.53505151029393	241.32315603818174	1.2667134331322152	304.11126056606963	366.8993650939575	429.68746962184525	241.32315603818157	304.1112605660694	429.68746962184525	366.8993650939573	115.74694698240589	178.53505151029375	241.32315603818157	304.1112605660694	366.8993650939573	241.33264253817495	277.205857423506	270.0257110420083	232.41673169521485	277.205857423506	270.0257110420083	232.41673169521485	232.41673169521485	547.0171315166529	529.8931030090471	529.8931030090471	529.8797032413196	529.8797032413196	232.41673169521485	547.0171315166529	529.8931030090471	529.8931030090471	529.8797032413196	529.8797032413196	547.0053285200603	546.9913894358386	547.0053285200603	546.9913894358386	124.7117285705757	422.29871094703253	463.8629371099679	505.4271632729033	546.9913894358386	588.5556155987739	630.1198417617092	671.6840679246446	422.29871094703253	463.8629371099679	505.4271632729033	546.9913894358386	588.5556155987739	630.1198417617092	671.6840679246446	494.23035700273834	508.49009549817083	522.7498339936034	529.8797032413196	537.0095724890359	546.9913894358386	551.2693109844683	565.5290494799009	579.7887879753333	608.3082649661983	636.8277419570634	494.23035700273834	508.49009549817083	522.7498339936034	529.8797032413196	537.0095724890359	546.9913894358386	551.2693109844683	565.5290494799009	579.7887879753333	608.3082649661983	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	546.9913894358386	529.8484371166219	260.56435396703307	564.772104690103	546.9588649059879	546.9588649059879	546.9588649059879	546.9588649059879	529.8484371166219	529.8484371166219	178.53505151029375	178.53505151029375	552.6401902061156	254.36714208720417		1.9475906671934473	0	252.41955142001072	0.001		-207.1
1412. PHOS PHOROUS	PHOS PHOROUS			1470	1412		1517														0																																																	0				PHOS PHOROUS																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1412. PHOS PHOROUS																																											0
1413. phos11: phosphorous (cr, white)	phos11: phosphorous (cr, white)	phosphorous (cr, white)	P	1471	1413	phosphorous (cr, white)	1518		0	0	0	0	1	0	0	0		5	5	5	30.97		-	0		-	-	-	-	-	-		-	-	12.012264	0	0	-	-	-	0	0	-		0	0	-	17.459832	-		-	-	-	-	4.94	-	-	41.07344533367701	0	41.09	-	41.09	-	-	1	0	0	0	-	0				phos11: phosphorous (cr, white)	0	-	0	0	0	0	0			0	0	0	0											0	0	0	460.1282221244641	0	350.7150992756489	386.37022648535526	422.2910093895505	459.90355316778266	500.3705196064548	541.8056305347915	583.3577465691344	0	0	0	0	0	0	459.90355316778266	459.90355316778266	459.90355316778266	459.90355316778266	459.90355316778266	0	0	0	456.01601552495634	0							1413. phos11: phosphorous (cr, white)	0	-	0	0	0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	448.6654765628511	0	0	0	0	0		0	0	0			0
1414. phos12: pi species (cr)	phos12: pi species (cr)	pi species (cr)	H3PO4	1472	1414	pi species (cr)	1519		0	3	0	4	1	0	0	0		0	0	0	97.97		-267.5	-1119.1	-1119.22	-	-1124.3	-	-	-	-		-	-	-1107.103136	-	-	-	-	-	-1284.4	-1279	-305.7	-1279.0488	-	-	-	-1261.60152	-		-	-	-	-	-	-	-	-	-	110.5	-	-	-	-	1	0	-1119.1	-1119.1	ZW	0				phos12: pi species (cr)	-1279	ZW	-379.4529841069483	-379.4910842704877	-379.4910842704877	-996.8001883986794	-996.8001883986794		-100	-996.8001883986796	-996.8001883986796	0	-999.2318004467595											-379.4529841069483	-379.4529841069483	-379.4529841069483	80.67523801751582	-1112.664313265135	60.290213925736964	66.25660816191817	72.48865809258814	80.41246889729496	91.1907023624421	102.93708031725339	114.80046337807107	-1112.664313265135	-987.971634776329	-987.971634776329	-987.971634776329	-379.4910842704877	-379.4910842704877	80.41246889729496	80.41246889729496	80.41246889729496	80.41246889729496	80.41246889729496	-1119.1	-374.07937550523195	-379.4910842704877	76.52493125446864	-996.8027756259503							1414. phos12: pi species (cr)	-1119.1	ZW	-1048.1748611487676	-1031.0508326411618	-1013.9268041335561	-996.8027756259503	-0.6193299282612172	-979.6787471183445	-962.5547186107387	-945.430690103133	-996.8027756259504	-979.6787471183446	-945.430690103133	-962.5547186107389	-1031.0508326411618	-1013.9268041335562	-996.8027756259504	-979.6787471183446	-962.5547186107389	-996.8001883986794	-982.5371575709432	-985.391264664972	-999.2318004467595	-982.5371575709432	-985.391264664972	-999.2318004467595	-999.2318004467595	-370.03100080388344	-370.03100080388344	-370.03100080388344	-370.05780033933854	-370.05780033933854	-999.2318004467595	-370.03100080388344	-370.03100080388344	-370.03100080388344	-370.05780033933854	-370.05780033933854	-379.4632061020443	-379.4910842704877	-379.4632061020443	-379.4910842704877	-89.02809875703633	-290.42488534991196	-320.1136183234371	-349.80235129696234	-379.4910842704877	-409.1798172440127	-438.8685502175381	-468.55728319106333	-290.42488534991196	-320.1136183234371	-349.80235129696234	-379.4910842704877	-409.1798172440127	-438.8685502175381	-468.55728319106333	-350.40512548277843	-358.2661954254023	-366.12726536802677	-370.05780033933854	-373.98833531065054	-379.4910842704877	-381.84940525327454	-389.7104751958989	-397.57154513852277	-413.29368502377156	-429.0158249090196	-350.40512548277843	-358.2661954254023	-366.12726536802677	-370.05780033933854	-373.98833531065054	-379.4910842704877	-381.84940525327454	-389.7104751958989	-397.57154513852277	-413.29368502377156	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-379.4910842704877	-370.12033258873396	-987.971634776329	-379.55613333018914	-379.55613333018914	-379.55613333018914	-379.55613333018914	-379.55613333018914	78.54514397411714	-370.12033258873396	-1013.9268041335562	-1013.9268041335562	-374.16870729008247	-989.6617834708277		0.5311610910527583	0	-990.1929445618805			-1119.1
1415. phos20	phos20			1473	1415		1520														0																																																	0				phos20																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1415. phos20																																											0
1416. phos21: pi2- -species	phos21: pi2- -species	pi2- -species	HPO42-	1474	1416	pi2- -species	1521		0	1	0	4	1	0	0	-2		0	0	0	95.97		-260.91	-1089.15	-1091.6474400000002	-	-1089.2	-1096.1	-	-	-		-	-	-	-1096	-1095.9854909	-1096.1	-	-	-1292.1	-1292.14	-309.38	-1294.4459200000001	-1299	-1299	1299	-	-		-1299	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1096.1	-1096.1	A	-249.36640000000003	-59.6	-846.7335999999999	-846.7335999999999	phos21: pi2- -species	-1299	A	-458.6257501173743	-458.6638502809137	-458.6638502809137	-1058.5721518379498	-1058.5721518379498		-100	-1058.5721518379498	-1058.5721518379498	-3.238755705056737	-1076.5067176949156	-458.08964825079477	0.5361018665795427	1.2310823103786646	2.043375681479427		-456.8712426903615	1.7545074270128111	2.029440872018623	3.720472596234732		-458.6257501173743	-458.6257501173743	-458.6257501173743	1.502472007089807	-1087.9336407848398	16.743927483541427	10.834828530312393	5.191385271572244	1.2397028868689404	0.14244316260607093	0.013327928007242917	0.0012177994148032667	-1087.9336407848398	-1046.3694146219045	-1049.3311610026399	-1049.3311610026399	-440.8506104967986	-458.6638502809137	1.2397028868689404	1.2397028868689404	1.2397028868689404	1.2397028868689404	1.2397028868689404	-1096.1	-435.84961412632185	-458.6638502809137	-2.6478347559573763	-1058.5730142470402							1416. phos21: pi2- -species	-1096.1	A	-1075.697042754646	-1069.9890332521106	-1064.2810237495753	-1058.5730142470402	-0.5667509525135652	-1052.8650047445049	-1047.1569952419695	-1041.4489857394344	-1058.5730142470402	-1052.8650047445049	-1041.4489857394344	-1047.1569952419695	-1069.9889773081327	-1064.2809678055974	-1058.5729583030623	-1052.864948800527	-1047.1569392979916	-1058.5721518379498	-1046.5452810240147	-1048.9498441629416	-1059.3826891873098	-1046.545220694595	-1048.9497847332614	-1059.3826891873098	-1059.3826891873098	-430.1818895444337	-447.3059180520395	-446.85519474593366	-446.88199428138876	-447.13340763954955	-1059.3826891873098	-430.1818895444337	-447.3059180520395	-446.85519474593366	-446.88199428138876	-447.13340763954955	-458.6359721124703	-458.6638502809137	-458.6359721124703	-458.6638502809137	-124.65457832526681	-333.9711717921075	-375.53539795504287	-417.09962411797824	-458.6638502809137	-500.22807644384875	-541.7923026067842	-583.3565287697196	-333.9711717921075	-375.53539795504287	-417.09962411797824	-458.6638502809137	-500.22807644384875	-541.7923026067842	-583.3565287697196	-422.36371339659985	-432.1667982615245	-441.9754724137882	-446.88199428138876	-451.790020041285	-458.6638502809137	-461.61072533190884	-471.43787247355345	-481.2717456541128	-500.96080688355124	-520.6801825233745	-422.36371339659985	-432.1667982615245	-441.97547241378817	-446.88199428138876	-451.790020041285	-458.6638502809137	-461.61072533190884	-471.43787247355345	-481.2717456541128	-500.96080688355124	-455.7021039001784	-458.3029582319109	-458.6638502809137	-458.930928455429	-459.14265681166785	-455.7021039001784	-458.3029582319109	-458.6638502809137	-458.930928455429	-459.14265681166785	-458.6638502809137	-458.6638502809137	-458.6638502809137	-458.6638502809137	-458.6638502809137	-458.6638502809137	-458.6638502809137	-458.6638502809137	-458.6638502809137	-458.6638502809137	-447.1958873877064	-1049.8099081037137	-441.3944066575739	-459.207646441689	-458.99592174269617	-458.72884818150067	-455.7671529598798	1.4695891751446766	-447.1958873877064	-1062.8082395369129	-1062.8082395369129	-432.5634918643314	-1047.6410123081412		-0.5311610910527583	-0.7082147880703444	-1047.8180660051587	0.001		-1096.1
1417. phos22: pi- -species	phos22: pi- -species	pi- -species	H2PO4-	1475	1417	pi- -species	1522		0	2	0	4	1	0	0	-1		0	0	0	96.97		-270.73	-1130.28	-1132.73432	-	-1130.2	-1137.2	-	-	-		-	-	-	-1137.3	-1137.1523908999998	-1137.3	-	-	-1296.3	-1296.29	-310.38	-1298.62992	-1302.6	-1302.6	-1303.14	-	-		-1302.6	-	-	-	-	-	-	-	-	-	-	92.5	-	-	0.001	-17.813239784115144	-1137.3	-1137.3	A	0				phos22: pi- -species	-1302.6	A	-457.5535463842152	-457.59164654775464	-457.59164654775464	-1056.5764811920506	-1056.5764811920506		-100	-1056.5764811920503	-1056.5764811920503	-0.8096889262641842	-1075.3215843983764		-0.5361018665795427	0.812293371100762				0.6823036938537257	1.3168443221235702			-457.5535463842152	-457.5535463842152	-457.5535463842152	2.5746757402488925	-1130.6469730001677	0.0028914325852724687	0.0315390740612429	0.32584241002609815	2.311906620028026	7.152393490469933	12.96102485057611	18.8866613166889	-1130.6469730001677	-1047.518520674297	-1048.2589572694808	-1048.2589572694808	-439.7784067636395	-457.59164654775464	2.311906620028026	2.311906620028026	2.311906620028026	2.311906620028026	2.311906620028026	-1137.3	-433.8548058895127	-457.59164654775464	-1.5756310227982908	-1056.578206010231							1417. phos22: pi- -species	-1137.3	A	-1090.8262630254426	-1079.4102440203721	-1067.9942250153017	-1056.578206010231	-0.5669477717962842	-1045.1621870051606	-1033.7461680000902	-1022.3301489950195	-1056.5782060102313	-1045.1621870051606	-1022.3301489950195	-1033.7461680000902	-1079.4102300343777	-1067.9942110293073	-1056.5781920242368	-1045.1621730191662	-1033.7461540140957	-1056.5764811920506	-1044.178053921507	-1046.6584121612648	-1058.1975558907707	-1044.178038839152	-1046.6583973038448	-1058.1975558907707	-1058.1975558907707	-428.9967562478946	-446.1207847555004	-446.0081039289739	-446.034903464429	-446.0977568039692	-1058.1975558907707	-428.9967562478946	-446.1207847555004	-446.0081039289739	-446.034903464429	-446.0977568039692	-457.5637683793112	-457.59164654775464	-457.5637683793112	-457.59164654775464	-106.84133854115157	-350.71220784306365	-386.338687411294	-421.9651669795244	-457.59164654775464	-493.2181261159849	-528.8446056842154	-564.4710852524455	-350.71220784306365	-386.338687411294	-421.9651669795244	-457.59164654775464	-493.2181261159849	-528.8446056842154	-564.4710852524455	-421.9651684860557	-431.59200560515706	-441.22024004609364	-446.034903464429	-450.84994285583815	-457.59164654775464	-460.4811850813643	-470.1140377696459	-479.7485719676562	-499.02296908075726	-518.3049447964536	-421.9651684860557	-431.59200560515706	-441.2202400460936	-446.034903464429	-450.84994285583815	-457.59164654775464	-460.4811850813643	-470.1140377696459	-479.7485719676562	-499.02296908075726	-456.8512099525708	-457.50142353550405	-457.59164654775464	-457.6584160913835	-457.7113481804431	-456.8512099525708	-457.50142353550405	-457.59164654775464	-457.6584160913835	-457.7113481804431	-457.59164654775464	-457.59164654775464	-457.59164654775464	-457.59164654775464	-457.59164654775464	-457.59164654775464	-457.59164654775464	-457.59164654775464	-457.59164654775464	-457.59164654775464	-446.16027592805483	-1048.3786440447493	-439.96314259860947	-457.7763823827246	-457.7234512079764	-457.6566828176775	-456.91625901227223	2.5052006347962674	-446.16027592805483	-1062.8082395369129	-1062.8082395369129	-432.5634918643314	-1048.822340167647		0.1770536970175861	-0.1770536970175861	-1049.1764475616822	0.001		-1137.3
1418. phos23: pi-blend	phos23: pi-blend	pi-reactant		1476	1418	pi-reactant	1523		0	?	0	4	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				phos23: pi-reactant	-	A						-1059.49										-459.9324173400749					-459.9324173400749		-459.9324173400749	-459.9324173400749	0.19580478438922455	-1130.6469730816789	0	0	0	0	0	0	0	-1130.6469730816789	-1048.7282446832469	-1050.5708638895087	-1050.5708638895087	-442.09031338366754	-459.90355316778266	0	0	0	0	0	-1137.3000001500864	-436.76595306854296	-459.90355316778266	-3.8875376428263166	-1059.4893531892612	0.9999993895074623						1418. phos23: pi-reactant	-	A	-1090.8317998299333	-1079.4650633183944	-1068.4944755672007	-1059.4893531892612	-0.5658923650760698	-1052.9734620056827	-1047.1680570059202	-1041.450094139698	-1059.4893531892615	-1052.9734620056827	-1041.450094139698	-1047.1680570059202	-1079.4650484147387	-1068.4944539138298	-1059.4893102112896	-1052.9734078578522	-1047.1680012487545	-1059.4882243090153	-1047.3523905642392	-1049.7782503317296	-1060.5785634285508	-1047.3523428088222	-1049.7782035638495	-1060.5785634285508	-1060.5785634285508	-431.37776378567463	-448.5017922932804	-448.18593943067634	-448.21273896613144	-448.3875593618609	-1060.5785634285508	-431.37776378567463	-448.5017922932804	-448.18593943067634	-448.21273896613144	-448.3875593618609	-459.87567499933925	-459.90355316778266	-459.87567499933925	-459.90355316778266	-109.21731806442597	-350.7150992756489	-386.37022648535526	-422.2910093895505	-459.90355316778266	-500.3705196064548	-541.8056305347915	-583.3577465691344	-350.7150992756489	-386.37022648535526	-422.2910093895505	-459.90355316778266	-500.3705196064548	-541.8056305347915	-583.3577465691344	-423.890723724356	-433.61430637930016	-443.34478864338837	-448.21273896613144	-453.08256138088666	-459.90355316778266	-462.82802289853004	-472.5815773985098	-482.3436332249067	-501.89489112027553	-521.4850685494572	-423.890723724356	-433.61430637930016	-443.3447886433883	-448.21273896613144	-453.08256138088666	-459.90355316778266	-462.82802289853004	-472.5815773985098	-482.3436332249067	-501.89489112027553	-458.0609339615208	-459.6527283908617	-459.90355316778266	-460.0937249740514	-460.2471824958625	-458.0609339615208	-459.6527283908617	-459.90355316778266	-460.0937249740514	-460.2471824958625	-459.90355316778266	-459.90355316778266	-459.90355316778266	-459.90355316778266	-459.90355316778266	-459.90355316778266	-459.90355316778266	-459.90355316778266	-459.90355316778266	-459.90355316778266	-448.45005474426006	-1050.9144498132837	-442.4989483671438	-460.3121881512589	-460.15873392289586	-459.96856616770407	-458.1259830212222	0.21542181859103948	-448.45005474426006	-1068.4944539138298	-1068.4944539138298	-453.97927038302754						0.001	0	-	0
1419. phos24: MgHpi	phos24: MgHpi	MgHpi	MgHPO4	1477	1419	MgHpi	1524		0	1	0	4	1	0	1	0		-2	-2	0	120.28		-373.65	-	-1563.3516	-	-	-1566.17	-	-	-		-	-	-	-	-	-1566.87	-	-	-	-	-416.7	-1743.4728	-	-	-1753.8	-	-		-1753.8	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1566.87	-1566.87	A	0				phos24: MgHpi	-1753.8	A	-454.434431569495	-454.47253173303443	-454.47253173303443	-1506.7429262373498	-1050.4429262373499		-100	-1060.4429262373499	-1050.4429262373499	0	-1071.613933482253							-2.43681112086648	0.37418740209253837			-454.434431569495	-454.434431569495	-454.434431569495	5.693790554969098	-1559.3464044943819	20.935246031420718	15.026147078191684	9.382703819451535	5.4310214347482315	4.333761710485362	4.204646475886534	4.192536347294094	-1559.3464044943819	-1517.7821783314466	-1517.7821783314466	-1045.1398424547606	-436.6592919489193	-454.47253173303443	5.4310214347482315	5.4310214347482315	5.4310214347482315	5.4310214347482315	5.4310214347482315	-1566.87	-427.71813015258056	-454.47253173303443	1.5434837919219149	-1050.441530273299							1419. phos24: MgHpi	-1566.87	A	-1067.5655587809047	-1061.8575492783693	-1056.149539775834	-1050.441530273299	-0.5673872191141734	-1044.7335207707636	-1039.0255112682282	-1033.3175017656931	-1050.441530273299	-1044.7335207707636	-1033.3175017656931	-1039.0255112682282	-1061.8575492783693	-1056.149539775834	-1050.441530273299	-1044.7335207707636	-1039.0255112682282	-1050.4429262373499	-1038.436600511826	-1040.820597216921	-1051.2534635867098	-1038.436600511826	-1040.839225602499	-1051.2534635867098	-1054.4899049746473	-425.2891053317712	-442.413133839377	-442.413133839377	-442.4399333748321	-442.4399333748321	-1054.4899049746473	-425.2891053317712	-442.413133839377	-442.413133839377	-442.4399333748321	-442.4399333748321	-454.444653564591	-454.47253173303443	-454.444653564591	-454.47253173303443	-124.65457832526681	-329.7798532442282	-371.3440794071636	-412.90830557009895	-454.47253173303443	-496.03675789596946	-537.6009840589049	-579.1652102218403	-329.7798532442282	-371.3440794071636	-412.90830557009895	-454.47253173303443	-496.03675789596946	-537.6009840589049	-579.1652102218403	-417.37202012857773	-427.3991854270796	-437.42635072558153	-442.4399333748321	-447.45351602408317	-454.47253173303443	-457.48068132258516	-467.5078466210869	-477.5350119195883	-497.5893425165926	-517.6436731135959	-417.37202012857773	-427.3991854270796	-437.4263507255815	-442.4399333748321	-447.45351602408317	-454.47253173303443	-457.48068132258516	-467.5078466210869	-477.5350119195883	-497.5893425165926	-454.47253173303443	-454.47253173303443	-454.47253173303443	-454.47253173303443	-454.47253173303443	-454.47253173303443	-454.47253173303443	-454.47253173303443	-454.47253173303443	-454.47253173303443	-472.28577151714967	-460.41027832773966	-454.47253173303443	-448.5347851383294	-442.5970385436244	-472.28577151714967	-460.41027832773966	-454.47253173303443	-448.5347851383294	-442.5970385436244	-442.5024656242275	-1041.6993489729514	-433.28384752681154	-451.09708731092667	-454.53758079273587	-454.53758079273587	-454.53758079273587	6.163010938623586	-442.5024656242275	-1062.8082395369129	-1062.8082395369129	-432.5634918643314	-1039.5633308178042		0.8852684850879307	0	-1040.448599302892			-1566.87
1420. phos25: pi-omniblend	phos25: pi-omniblend	pi-omnireactant		1478	1420	pi-omnireactant	1525		0	?	0	4	1	0	?	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				phos25: pi-omnireactant	-	A						-1059.6															-460.1282221244641		-460.1282221244641	-460.1282221244641	0	-1559.3464044943819	-5.327530054159979E-4	-0.005771600408934319	-0.05566791859553177	-0.2627691202208666	-0.39784262550506355	-0.41741662758738585	-0.41929722061991015	-1559.3464044943819	-1517.7821783314466	-1517.7821783314466	-1050.8336330097297	-442.3530825038884	-460.1663222880035	-0.2627691202208666	-0.2627691202208666	-0.2627691202208666	-0.2627691202208666	-0.2627691202208666	-1566.87	-436.8295702555124	-460.1663222880035	-4.150306763047183	-1059.5529703762306	0.999955615681607	-1058.6	-0.01897153650009809	0.38442391895093686	0.40339545545103495	-1058.5	1420. phos25: pi-omnireactant	-	A	-1090.8320078866268	-1079.4671021783188	-1068.5114596160763	-1059.5529703762306	-0.5657336301354713	-1053.0611598870157	-1047.2592051865315	-1041.5416023428884	-1059.5529703762309	-1053.0611598870157	-1041.5416023428884	-1047.2592051865315	-1079.4670872869158	-1068.5114381105527	-1059.552928487175	-1053.0611076213013	-1047.259151442277	-1059.5519054981896	-1047.4194412975107	-1049.844193063001	-1060.6355251366078	-1047.41939481648	-1049.8446383260255		-1060.7825453273167	-431.5817456844406	-448.70577419204636	-448.4163882068	-448.4431877422551	-448.60297811198114							-460.1384441195601	-460.1663222880035			-109.41259009580978	-350.71563202865434	-386.3759980857642	-422.346677308146	-460.1663222880035	-500.7683622319599	-542.2230471623789	-583.7770437897543								-424.06332139062596	-433.8085302332679	-443.56264987873976	-448.4431877422551	-453.3261146254698	-460.1663222880035	-463.09933705521826	-472.8827015001567	-482.6765577105141	-502.29693728531396	-521.962382443526											-458.5844645339989	-459.9419035286471	-460.1663222880035	-460.3380140452158	-460.4774675282085						-472.3025028973169	-461.8881228456505	-460.1663222880035	-459.92869188394116	-459.9058551245132						-448.6654765628511	-1050.9739652225576	-442.5584637764177	-460.3717035605328	-460.4030267582983	-460.2313389146695	-458.64951359370036	0	-448.6654765628511	-1068.5114381105527	-1068.5114381105527	-454.0428886589129
1421. phos30	phos30			1479	1421		1526														0																																																	0				phos30																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1421. phos30																																											0
1422. phos31: pi3- species	phos31: pi3- species	pi3- species	PO43-	1480	1422	pi3- species	1527		0	0	0	4	0	0	0	-3		-5	-5	-5	64		-244.02	-1018.7	-1020.97968	-	-1018.7	-1025.32	-	-	-		-	-	-	-	-	-	-	-	-1277.4	-1277.4	-305.3	-1277.3752000000002	-	-	1281.43	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1018.7	-1018.7	Z	0				phos31: pi3- species	-1277.4	Z	-424.24630985156693	-424.28441001510635	-424.28441001510635	-1025.9872003363778	-1025.9872003363778		-100	-1025.9872003363778	-1025.9872003363778	-7.287200336377658	-1043.1112288439836	-436.9242828167988	-12.677972965231845	0.007325733648811544	498.34169949545975							-424.24630985156693	-424.24630985156693	-424.24630985156693	-424.24630985156693	-1008.2877913801779	-281.7784917421851	-329.2804644998255	-376.78243725746586	-424.28441001510635	-471.7863827727466	-519.2883555303871	-566.7903282880275	-1008.2877913801779	-1008.2877913801779	-1014.9517207368325	-1014.9517207368325	-406.4711702309912	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-1018.7	-403.26380021565944	-424.28441001510635	-424.28441001510635	-1025.9872003363778							1422. phos31: pi3- species	-1018.7	Z	-1025.9872003363778	-1025.9872003363778	-1025.9872003363778	-1025.9872003363778	-0.5864994127485464	-1025.9872003363778	-1025.9872003363778	-1025.9872003363778	-1025.9872003363778	-1025.9872003363778	-1025.9872003363778	-1025.9872003363778	-1025.9870744624275	-1025.9870744624275	-1025.9870744624275	-1025.9870744624275	-1025.9870744624275	-1025.9872003363778	-1013.5431823297499	-1016.0290354310292	-1025.9872003363778	-1013.5430465885556	-1016.0289017142485	-1025.9872003363778	-1025.9872003363778	-396.7864006935017	-413.9104292011075	-412.8963017623696	-412.9231012978247	-413.4887813536865	-1025.9872003363778	-396.7864006935017	-413.9104292011075	-412.8963017623696	-412.9231012978247	-413.4887813536865	-424.25653184666294	-424.28441001510635	-424.25653184666294	-424.28441001510635	-142.46781810938182	-281.7784917421851	-329.2804644998255	-376.78243725746586	-424.28441001510635	-471.7863827727466	-519.2883555303871	-566.7903282880275	-281.7784917421851	-329.2804644998255	-376.78243725746586	-424.28441001510635	-471.7863827727466	-519.2883555303871	-566.7903282880275	-389.3150261438172	-398.74874435518996	-408.19503846307646	-412.9231012978247	-417.654547890237	-424.28441001510635	-427.12791205943324	-436.6157703934262	-446.1187623149773	-465.17270461179913	-484.29485433198687	-389.3150261438172	-398.74874435518996	-408.1950384630764	-412.9231012978247	-417.654547890237	-424.28441001510635	-427.12791205943324	-436.6157703934262	-446.1187623149773	-465.17270461179913	-417.6204806584517	-423.47240290485	-424.28441001510635	-424.8853359077657	-425.3617247093031	-417.6204806584517	-423.47240290485	-424.28441001510635	-424.8853359077657	-425.3617247093031	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-424.28441001510635	-413.5511954752948	-1016.0289017142485	-407.61340026810865	-425.4266400522238	-424.9502594794901	-424.3493439668	-417.68552971815313	-413.5511954752948	-413.5511954752948	-1025.9870744624275	-1025.9870744624275	-403.35300612655954	-1009.8812746533362		-1.593483273158275	-1.593483273158275	-1009.8812746533362			-1018.7
1423. phos32: pi2- -species	phos32: pi2- -species	pi2- -species	HPO42-	1481	1423	pi2- -species	1528		0	1	0	4	1	0	0	-2		0	0	0	95.97		-260.91	-1089.15	-1091.6474400000002	-	-1089.2	-1096.1	-	-	-		-	-	-	-1096	-1095.9854909	-1096.1	-	-	-1292.1	-1292.14	-309.38	-1294.4459200000001	-1299	-1299	1299	-	-		-1299	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1089.15	-1089.15	Z	0				phos32: pi2- -species	-1292.14	Z	-451.67212777962504	-451.71022794316445	-451.71022794316445	-1051.62215183795	-1051.62215183795		-100	-1051.62215183795	-1051.62215183795	-3.238755705056737	-1069.5567176949157		14.747844962826264	304.61018364613545								-451.67212777962504	-451.67212777962504	-451.67212777962504	8.456094344839073	-1080.9800184470905	23.697549821290693	17.78845086806166	12.14500760932151	8.193325224618206	7.096065500355337	6.966950265756509	6.954840137164069	-1080.9800184470905	-1039.4157922841553	-1042.3775386648906	-1042.3775386648906	-433.89698815904933	-451.71022794316445	8.193325224618206	8.193325224618206	8.193325224618206	8.193325224618206	8.193325224618206	-1089.15	-428.89961412632204	-451.71022794316445	4.30578758179189	-1051.6230142470404							1423. phos32: pi2- -species	-1089.15	Z	-1068.7470427546461	-1063.0390332521108	-1057.3310237495755	-1051.6230142470404	-0.5704999589581812	-1045.915004744505	-1040.2069952419697	-1034.4989857394346	-1051.6230142470404	-1045.915004744505	-1034.4989857394346	-1040.2069952419697	-1063.0389773081329	-1057.3309678055975	-1051.6229583030624	-1045.914948800527	-1040.2069392979918	-1051.62215183795	-1039.5907531018279	-1041.9962218251924	-1052.43268918731	-1039.5906927724081	-1041.996162395512	-1052.43268918731	-1052.43268918731	-423.2318895444339	-440.35591805203967	-439.90519474593384	-439.93199428138894	-440.1834076395497	-1052.43268918731	-423.2318895444339	-440.35591805203967	-439.90519474593384	-439.93199428138894	-440.1834076395497	-451.68234977472105	-451.71022794316445	-451.68234977472105	-451.71022794316445	-124.65457832526681	-327.01754945435823	-368.5817756172936	-410.14600178022897	-451.71022794316445	-493.2744541060995	-534.838680269035	-576.4029064319703	-327.01754945435823	-368.5817756172936	-410.14600178022897	-451.71022794316445	-493.2744541060995	-534.838680269035	-576.4029064319703	-415.421259933578	-425.2213261837112	-435.0269817211839	-439.93199428138894	-444.8385107338897	-451.71022794316445	-454.65619740972204	-464.48032593657564	-474.3111805023434	-493.9942045021997	-513.7075429124404	-415.421259933578	-425.2213261837112	-435.02698172118386	-439.93199428138894	-444.8385107338897	-451.71022794316445	-454.65619740972204	-464.48032593657564	-474.3111805023434	-493.9942045021997	-448.7484815624291	-451.34933589416164	-451.71022794316445	-451.97730611767975	-452.1890344739186	-448.7484815624291	-451.34933589416164	-451.71022794316445	-451.97730611767975	-452.1890344739186	-451.71022794316445	-451.71022794316445	-451.71022794316445	-451.71022794316445	-451.71022794316445	-451.71022794316445	-451.71022794316445	-451.71022794316445	-451.71022794316445	-451.71022794316445	-440.2458873877066	-1042.8562857659645	-434.4407843198246	-452.25402410393974	-452.0422994049469	-451.7752258437514	-448.81353062213054	8.419589175144495	-440.2458873877066	-1057.3309678055975	-1057.3309678055975	-428.9888899671945	-1040.687389970392		-0.5311610910527583	-0.7082147880703444	-1040.8644436674094	0.001		-1089.15
1424. phos33: pi- -species	phos33: pi- -species	pi- -species	H2PO4-	1482	1424	pi- -species	1529		0	2	0	4	1	0	0	-1		0	0	0	96.97		-270.73	-1130.28	-1132.73432	-	-1130.2	-1137.2	-	-	-		-	-	-	-1137.3	-1137.1523908999998	-1137.3	-	-	-1296.3	-1296.29	-310.38	-1298.62992	-1302.6	-1302.6	-1303.14	-	-		-1302.6	-	-	-	-	-	-	-	-	-	-	92.5	-	-	0.001	-17.813239784115144	-1130.28	-1130.28	Z	0				phos33: pi- -species	-1296.29	Z	-450.5049701641917	-450.54307032773113	-450.54307032773113	-1049.5564811920506	-1049.5564811920506		-100	-1049.5564811920503	-1049.5564811920503	-0.8096889262641842	-1068.3015843983765		13.580687347392939	193.7218768485333								-450.5049701641917	-450.5049701641917	-450.5049701641917	9.623251960272398	-1123.5983967801442	7.051467652608778	7.080115294084749	7.374418630049604	9.360482840051532	14.200969710493439	20.00960107059973	25.935237536712407	-1123.5983967801442	-1040.4699444542734	-1041.2103810494573	-1041.2103810494573	-432.729830543616	-450.54307032773113	9.360482840051532	9.360482840051532	9.360482840051532	9.360482840051532	9.360482840051532	-1130.28	-426.8348058895127	-450.54307032773113	5.472945197225215	-1049.558206010231							1424. phos33: pi- -species	-1130.28	Z	-1083.8062630254426	-1072.3902440203722	-1060.9742250153017	-1049.558206010231	-0.5707670450439027	-1038.1421870051606	-1026.7261680000902	-1015.3101489950195	-1049.5582060102313	-1038.1421870051606	-1015.3101489950195	-1026.7261680000902	-1072.3902300343777	-1060.9742110293073	-1049.5581920242369	-1038.1421730191662	-1026.7261540140958	-1049.5564811920506	-1037.1223336464777	-1039.6098359412413	-1051.1775558907707	-1037.1223185641227	-1039.6098210838213	-1051.1775558907707	-1051.1775558907707	-421.9767562478946	-439.1007847555004	-438.98810392897394	-439.01490346442904	-439.07775680396924	-1051.1775558907707	-421.9767562478946	-439.1007847555004	-438.98810392897394	-439.01490346442904	-439.07775680396924	-450.5151921592877	-450.54307032773113	-450.5151921592877	-450.54307032773113	-106.84133854115157	-343.66363162304015	-379.2901111912705	-414.9165907595009	-450.54307032773113	-486.1695498959614	-521.7960294641917	-557.422509032422	-343.66363162304015	-379.2901111912705	-414.9165907595009	-450.54307032773113	-486.1695498959614	-521.7960294641917	-557.422509032422	-415.0047022777714	-424.60772588018654	-434.2121468044369	-439.01490346442904	-443.81803609749494	-450.54307032773113	-453.42546480633507	-463.0345039779302	-472.6452246592545	-491.8719947389829	-511.1063434213068	-415.0047022777714	-424.60772588018654	-434.2121468044368	-439.01490346442904	-443.81803609749494	-450.54307032773113	-453.42546480633507	-463.0345039779302	-472.6452246592545	-491.8719947389829	-449.8026337325473	-450.45284731548054	-450.54307032773113	-450.60983987136	-450.6627719604196	-449.8026337325473	-450.45284731548054	-450.54307032773113	-450.60983987136	-450.6627719604196	-450.54307032773113	-450.54307032773113	-450.54307032773113	-450.54307032773113	-450.54307032773113	-450.54307032773113	-450.54307032773113	-450.54307032773113	-450.54307032773113	-450.54307032773113	-439.14027592805485	-1041.3300678247258	-432.91456637858596	-450.7278061627011	-450.6748749879529	-450.608106597654	-449.86768279224873	9.52520063479625	-439.14027592805485	-1060.9742110293073	-1060.9742110293073	-426.9241236883689	-1041.7737639476236		0.1770536970175861	-0.1770536970175861	-1042.1278713416586	0.001		-1130.28
1425. phos34: pi species (aq) phosphoric acid	phos34: pi species (aq) phosphoric acid	pi species (aq) phosphoric acid	H3PO4	1483	1425	pi species (aq) phosphoric acid	1530		0	3	0	4	1	0	0	0		0	0	0	97.97		-273.1	-1142.54	-1142.6504000000002	-	-	-1149.3	-	-	-		-	-	-	-	.	-	-	-	-	-1288.34	-307.9	-1288.2536	-	-	-1295.28	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1142.54	-1142.54	Z	0				phos34: pi species (aq) phosphoric acid	-1288.34	Z	-421.2737234718113	-421.3118236353507	-421.3118236353507	-1020.2401883986795	-1020.2401883986795		-100	-1020.2401883986796	-1020.2401883986796	0	-1039.7958289543653		-15.650559344987471	0.0023132671421584087		-452.9415159345567						-421.2737234718113	-421.2737234718113	-421.2737234718113	38.85449865265281	-1136.6718128458829	18.469474560873948	24.43586879705515	30.667918727725237	38.59172953243194	49.36996299757908	61.116340952390374	72.97972401320806	-1136.6718128458829	-1011.9791343570769	-1011.9791343570769	-1011.9791343570769	-403.4985838512356	-421.3118236353507	38.59172953243194	38.59172953243194	38.59172953243194	38.59172953243194	38.59172953243194	-1142.54	-397.519375505232	-421.3118236353507	34.704191889605625	-1020.2427756259503							1425. phos34: pi species (aq) phosphoric acid	-1142.54	Z	-1071.6148611487677	-1054.490832641162	-1037.3668041335561	-1020.2427756259503	-0.5870848257530205	-1003.1187471183446	-985.9947186107388	-968.870690103133	-1020.2427756259505	-1003.1187471183447	-968.870690103133	-985.9947186107389	-1054.490832641162	-1037.3668041335561	-1020.2427756259505	-1003.1187471183447	-985.9947186107389	-1020.2401883986795	-1006.6865320468785	-1009.3987642457199	-1022.6718004467596	-1006.6865320468785	-1009.3987642457199	-1022.6718004467596	-1022.6718004467596	-393.4710008038835	-410.59502931148927	-410.59502931148927	-410.62182884694437	-410.62182884694437	-1022.6718004467596	-393.4710008038835	-410.59502931148927	-410.59502931148927	-410.62182884694437	-410.62182884694437	-421.2839454669073	-421.3118236353507	-421.2839454669073	-421.3118236353507	-89.02809875703633	-332.245624714775	-361.9343576883001	-391.62309066182524	-421.3118236353507	-451.00055660887574	-480.6892895824011	-510.37802255592635	-332.245624714775	-361.9343576883001	-391.62309066182524	-421.3118236353507	-451.00055660887574	-480.6892895824011	-510.37802255592635	-388.3510063710982	-397.2593353614368	-406.167664351775	-410.62182884694437	-415.0759933421139	-421.3118236353507	-423.9843223324523	-432.89265132279075	-441.80098031312923	-459.6176382938066	-477.43429627448364	-388.3510063710982	-397.2593353614368	-406.16766435177493	-410.62182884694437	-415.0759933421139	-421.3118236353507	-423.9843223324523	-432.89265132279075	-441.80098031312923	-459.6176382938066	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-421.3118236353507	-410.6843610963398	-1011.9791343570769	-403.56363291093703	-421.37687269505216	-421.37687269505216	-421.37687269505216	-421.37687269505216	37.98111546651131	-410.6843610963398	-1037.3668041335561	-1037.3668041335561	-397.6087072900825	-1013.6692830515756		0.5311610910527583	0	-1014.2004441426284			-1142.54
1426. phos35: pi-blend	phos35: pi-blend	pi-reactant		1484	1426	pi-reactant	1531		0	?	0	4	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	Z	0				phos35: pi-reactant	-	Z																					-452.9415159345567		-452.9415159345567	-452.9415159345567	7.186706189907397	-1136.6844833894556	7.023846322111922	7.045125722211367	7.0365023247402405	6.990525042463844	6.958426471393466	6.949473375892126	6.902903781686746	-1136.6844833894556	-1041.7167855042812	-1043.580338847045	-1043.580338847045	-435.0997883412037	-452.9130281253188	6.990525042463844	6.990525042463844	6.990525042463844	6.990525042463844	6.990525042463844	-1142.55757395989	-429.79459306365305	-452.9130281253188	3.1029873996375272	-1052.5179931843713		-1058.6		-2.4534539094467873	-427.03442914046553	-1058.5	1426. phos35: pi-reactant	-	Z	-1083.8299821846017	-1072.4483873770032	-1061.4875647968665	-1052.5179931843713	-0.5696591232951832	-1046.0212721904836	-1040.2257018942605	-1034.5787620623883	-1052.5179931843716	-1046.0212721904836	-1034.5787620623883	-1040.2257018942605	-1072.4483724583222	-1061.4875429661993	-1052.5179499530234	-1046.021217972569	-1040.2256459073694	-1052.516869497489	-1040.370206348117	-1042.7980762175337	-1053.6020524102573	-1040.3701582237532	-1042.7980291036183	-1053.6020524102573	-1053.6020524102573	-424.4012527673813	-441.5252812749871	-441.20713943674184	-441.23393897219694	-441.41004390914145	-1053.6020524102573	-424.4012527673813	-441.5252812749871	-441.20713943674184	-441.23393897219694	-441.41004390914145	-452.8851499568754	-452.9130281253188	-452.8851499568754	-452.9130281253188	-109.25026298101972	-343.691252953537	-379.3251007631439	-415.25450706481024	-452.9130281253188	-493.41209313506135	-534.8561571588994	-576.4548427874477	-343.691252953537	-379.3251007631439	-415.25450706481024	-452.9130281253188	-493.41209313506135	-534.8561571588994	-576.4548427874477	-416.94006273005783	-426.65179453647863	-436.3712176777154	-441.23393897219694	-446.098734147647	-452.9130281253188	-455.83474914391167	-465.5796688976589	-475.33389835750967	-494.87188520812424	-514.4518309055155	-416.94006273005783	-426.65179453647863	-436.3712176777153	-441.23393897219694	-446.098734147647	-452.9130281253188	-455.83474914391167	-465.5796688976589	-475.33389835750967	-494.87188520812424	-451.049474782555	-452.65970753138424	-452.9130281253188	-453.105010004963	-453.2598765461147	-451.049474782555	-452.65970753138424	-452.9130281253188	-453.105010004963	-453.2598765461147	-452.9130281253188	-452.9130281253188	-452.9130281253188	-452.9130281253188	-452.9130281253188	-452.9130281253188	-452.9130281253188	-452.9130281253188	-452.9130281253188	-452.9130281253188	-441.47253902525324	-1043.9271434714942	-435.5116420253543	-453.32488180946945	-453.17001857950316	-452.9780407752911	-451.11452384225646	7.192937537597857	-441.47253902525324	-1061.4875429661993	-1061.4875429661993	-447.00791012476117						0.001		-
1427. phos40	phos40			1485	1427		1532														0																																																	0				phos40																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1427. phos40																																											0
1428. phos41: pi3- species	phos41: pi3- species	pi3- species	PO43-	1486	1428	pi3- species	1533		0	0	0	4	1	0	0	-3		0	0	0	94.97		-244.02	-1018.7	-1020.97968	-	-1018.7	-1025.32	-	-	-		-	-	-	-	-	-	-	-	-1277.4	-1277.4	-305.3	-1277.3752000000002	-	-	1281.43	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1020.97968	-1020.97968	W	0				phos41: pi3- species	-1277.3752000000002	W	-426.6187410170875	-426.6568411806269	-426.6568411806269	-1028.2668803363777	-1028.2668803363777		-100	-1028.2668803363777	-1028.2668803363777	-7.287200336377658	-1045.3909088439834	-438.78798900160507	-12.169247984517597	0.008923342505431824	634.6640800724449							-426.6187410170875	-426.6187410170875	-426.6187410170875	33.509481107376644	-1010.6602225456984	66.56417636794328	54.71733082000924	43.136140966564085	33.24671198715578	26.211705668187676	20.144843838883844	14.1949871155864	-1010.6602225456984	-1010.6602225456984	-1017.324151902353	-1017.324151902353	-408.84360139651176	-426.6568411806269	33.24671198715578	33.24671198715578	33.24671198715578	33.24671198715578	33.24671198715578	-1020.97968	-405.5434802156593	-426.6568411806269	-426.6568411806269	-1028.2668803363777							1428. phos41: pi3- species	-1020.97968	W	-1028.2668803363777	-1028.2668803363777	-1028.2668803363777	-1028.2668803363777	-0.5851089350679782	-1028.2668803363777	-1028.2668803363777	-1028.2668803363777	-1028.2668803363777	-1028.2668803363777	-1028.2668803363777	-1028.2668803363777	-1028.2667544624273	-1028.2667544624273	-1028.2667544624273	-1028.2667544624273	-1028.2667544624273	-1028.2668803363777	-1015.9388012866508	-1018.4014665965498	-1028.2668803363777	-1015.9386655454565	-1018.401332879769	-1028.2668803363777	-1028.2668803363777	-399.0660806935016	-416.19010920110736	-415.1759817623695	-415.2027812978246	-415.76846135368635	-1028.2668803363777	-399.0660806935016	-416.19010920110736	-415.1759817623695	-415.2027812978246	-415.76846135368635	-426.6289630121835	-426.6568411806269	-426.6289630121835	-426.6568411806269	-142.46781810938182	-284.15092290770565	-331.652895665346	-379.1548684229864	-426.6568411806269	-474.15881393826714	-521.6607866959076	-569.162759453548	-284.15092290770565	-331.652895665346	-379.1548684229864	-426.6568411806269	-474.15881393826714	-521.6607866959076	-569.162759453548	-391.40147454898255	-400.91248539828916	-410.4360721441095	-415.2027812978246	-419.9728742092038	-426.6568411806269	-429.5235310163341	-439.08868198826104	-448.66896654774587	-467.87749412043553	-487.1542291164912	-391.40147454898255	-400.91248539828916	-410.43607214410946	-415.2027812978246	-419.9728742092038	-426.6568411806269	-429.5235310163341	-439.08868198826104	-448.66896654774587	-467.87749412043553	-419.99291182397224	-425.84483407037055	-426.6568411806269	-427.25776707328623	-427.7341558748236	-419.99291182397224	-425.84483407037055	-426.6568411806269	-427.25776707328623	-427.7341558748236	-426.6568411806269	-426.6568411806269	-426.6568411806269	-426.6568411806269	-426.6568411806269	-426.6568411806269	-426.6568411806269	-426.6568411806269	-426.6568411806269	-426.6568411806269	-415.8308754752949	-1018.401332879769	-409.9858314336292	-427.7990712177443	-427.32269064501065	-426.72177513232054	-420.0579608836737	-415.8308754752949	-415.8308754752949	-1028.2667544624273	-1028.2667544624273	-405.6326861265594	-1012.2537058188567		-1.593483273158275	-1.593483273158275	-1012.2537058188567			-1020.97968
1429. phos42: pi2- -species	phos42: pi2- -species	pi2- -species	HPO42-	1487	1429	pi2- -species	1534		0	1	0	4	1	0	0	-2		0	0	0	95.97		-260.91	-1089.15	-1091.6474400000002	-	-1089.2	-1096.1	-	-	-		-	-	-	-1096	-1095.9854909	-1096.1	-	-	-1292.1	-1292.14	-309.38	-1294.4459200000001	-1299	-1299	1299	-	-		-1299	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1091.6474400000002	-1091.6474400000002	W	0				phos42: pi2- -species	-1294.4459200000001	W	-454.1772761143559	-454.2153762778953	-454.2153762778953	-1054.11959183795	-1054.11959183795		-100	-1054.11959183795	-1054.11959183795	-3.238755705056737	-1072.0541576949158		15.389287112750822	390.6360267305184								-454.1772761143559	-454.1772761143559	-454.1772761143559	5.950946010108225	-1083.4851667818214	21.192401486559845	15.283302533330811	9.639859274590663	5.688176889887359	4.590917165624489	4.461801931025661	4.449691802433222	-1083.4851667818214	-1041.920940618886	-1044.8826869996215	-1044.8826869996215	-436.4021364937802	-454.2153762778953	5.688176889887359	5.688176889887359	5.688176889887359	5.688176889887359	5.688176889887359	-1091.6474400000002	-431.39705412632213	-454.2153762778953	1.8006392470610422	-1054.1204542470405							1429. phos42: pi2- -species	-1091.6474400000002	W	-1071.2444827546462	-1065.536473252111	-1059.8284637495756	-1054.1204542470405	-0.5691410082363165	-1048.4124447445051	-1042.7044352419698	-1036.9964257394347	-1054.1204542470405	-1048.4124447445051	-1036.9964257394347	-1042.7044352419698	-1065.536417308133	-1059.8284078055976	-1054.1203983030625	-1048.4123888005272	-1042.7043792979919	-1054.11959183795	-1042.0978285202416	-1044.5013701599232	-1054.93012918731	-1042.0977681908219	-1044.501310730243	-1054.93012918731	-1054.93012918731	-425.729329544434	-442.85335805203977	-442.40263474593394	-442.42943428138904	-442.6808476395498	-1054.93012918731	-425.729329544434	-442.85335805203977	-442.40263474593394	-442.42943428138904	-442.6808476395498	-454.1874981094519	-454.2153762778953	-454.1874981094519	-454.2153762778953	-124.65457832526681	-329.5226977890891	-371.08692395202445	-412.6511501149598	-454.2153762778953	-495.77960244083033	-537.3438286037658	-578.9080547667012	-329.5226977890891	-371.08692395202445	-412.6511501149598	-454.2153762778953	-495.77960244083033	-537.3438286037658	-578.9080547667012	-417.902640902889	-427.7091307652979	-437.52120991504614	-442.42943428138904	-447.33916254002764	-454.2153762778953	-457.16327282813575	-466.99382496726486	-476.8311031453087	-496.52697436971636	-516.2531600045083	-417.902640902889	-427.7091307652979	-437.5212099150461	-442.42943428138904	-447.33916254002764	-454.2153762778953	-457.16327282813575	-466.99382496726486	-476.8311031453087	-496.52697436971636	-451.25362989715995	-453.8544842288925	-454.2153762778953	-454.4824544524106	-454.69418280864943	-451.25362989715995	-453.8544842288925	-454.2153762778953	-454.4824544524106	-454.69418280864943	-454.2153762778953	-454.2153762778953	-454.2153762778953	-454.2153762778953	-454.2153762778953	-454.2153762778953	-454.2153762778953	-454.2153762778953	-454.2153762778953	-454.2153762778953	-442.7433273877067	-1045.3614341006953	-436.94593265455546	-454.7591724386706	-454.54744773967775	-454.28037417848225	-451.3186789568614	5.922149175144398	-442.7433273877067	-1059.8284078055976	-1059.8284078055976	-431.4863299671946	-1043.1925383051228		-0.5311610910527583	-0.7082147880703444	-1043.3695920021403	0.001		-1091.6474400000002
1430. phos43: pi- -species	phos43: pi- -species	pi- -species	H2PO4-	1488	1430	pi- -species	1535		0	2	0	4	1	0	0	-1		0	0	0	96.97		-270.73	-1130.28	-1132.73432	-	-1130.2	-1137.2	-	-	-		-	-	-	-1137.3	-1137.1523908999998	-1137.3	-	-	-1296.3	-1296.29	-310.38	-1298.62992	-1302.6	-1302.6	-1303.14	-	-		-1302.6	-	-	-	-	-	-	-	-	-	-	92.5	-	-	0.001	-17.813239784115144	-1132.73432	-1132.73432	W	0				phos43: pi- -species	-1298.62992	W	-452.9638945579534	-453.0019947214928	-453.0019947214928	-1052.0108011920506	-1052.0108011920506		-100	-1052.0108011920506	-1052.0108011920506	-0.8096889262641842	-1070.7559043983765		14.175905556348312	244.0179543485739								-452.9638945579534	-452.9638945579534	-452.9638945579534	7.164327566510735	-1126.0573211739058	4.592543258847115	4.621190900323086	4.915494236287941	6.901558446289869	11.742045316731776	17.550676676838066	23.476313142950744	-1126.0573211739058	-1042.928868848035	-1043.669305443219	-1043.669305443219	-435.18875493737767	-453.0019947214928	6.901558446289869	6.901558446289869	6.901558446289869	6.901558446289869	6.901558446289869	-1132.73432	-429.2891258895128	-453.0019947214928	3.014020803463552	-1052.012526010231							1430. phos43: pi- -species	-1132.73432	W	-1086.2605830254429	-1074.8445640203722	-1063.4285450153018	-1052.012526010231	-0.569431082464556	-1040.5965070051607	-1029.1804880000902	-1017.7644689950196	-1052.0125260102313	-1040.5965070051607	-1017.7644689950196	-1029.1804880000902	-1074.8445500343778	-1063.4285310293074	-1052.012512024237	-1040.5964930191662	-1029.1804740140958	-1052.0108011920506	-1039.5824091386796	-1042.068760335003	-1053.6318758907707	-1039.5823940563246	-1042.068745477583	-1053.6318758907707	-1053.6318758907707	-424.4310762478947	-441.55510475550045	-441.442423928974	-441.4692234644291	-441.5320768039693	-1053.6318758907707	-424.4310762478947	-441.55510475550045	-441.442423928974	-441.4692234644291	-441.5320768039693	-452.9741165530494	-453.0019947214928	-452.9741165530494	-453.0019947214928	-106.84133854115157	-346.1225560168018	-381.7490355850322	-417.37551515326254	-453.0019947214928	-488.62847428972304	-524.2549538579534	-559.8814334261837	-346.1225560168018	-381.7490355850322	-417.37551515326254	-453.0019947214928	-488.62847428972304	-524.2549538579534	-559.8814334261837	-417.4494297907681	-427.0562903879845	-436.66454830703617	-441.4692234644291	-446.274274594896	-453.0019947214928	-455.88554029853697	-465.49841646493365	-475.11297414105877	-494.34741821039	-513.5894408823165	-417.4494297907681	-427.0562903879845	-436.6645483070361	-441.4692234644291	-446.274274594896	-453.0019947214928	-455.88554029853697	-465.49841646493365	-475.11297414105877	-494.34741821039	-452.26155812630896	-452.9117717092422	-453.0019947214928	-453.0687642651217	-453.12169635418127	-452.26155812630896	-452.9117717092422	-453.0019947214928	-453.0687642651217	-453.12169635418127	-453.0019947214928	-453.0019947214928	-453.0019947214928	-453.0019947214928	-453.0019947214928	-453.0019947214928	-453.0019947214928	-453.0019947214928	-453.0019947214928	-453.0019947214928	-441.5945959280549	-1043.7889922184875	-435.3734907723476	-453.18673055646275	-453.13379938171454	-453.06703099141566	-452.3266071860104	7.070880634796197	-441.5945959280549	-1063.4285310293074	-1063.4285310293074	-429.378443688369	-1044.2326883413853		0.1770536970175861	-0.1770536970175861	-1044.5867957354203	0.001		-1132.73432
1431. phos44: pi species (aq) phosphoric acid	phos44: pi species (aq) phosphoric acid	pi species (aq) phosphoric acid	H3PO4	1489	1431	pi species (aq) phosphoric acid	1536		0	3	0	4	1	0	0	0		0	0	0	97.97		-273.1	-1142.54	-1142.6504000000002	-	-	-1149.3	-	-	-		-	-	-	-	.	-	-	-	-	-1288.34	-307.9	-1288.2536	-	-	-1295.28	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1142.6504000000002	-1142.6504000000002	W	0				phos44: pi species (aq) phosphoric acid	-1288.2536	W	-421.39204431702365	-421.43014448056306	-421.43014448056306	-1020.3505883986797	-1020.3505883986797		-100	-1020.3505883986799	-1020.3505883986799	0	-1039.9062289543656		-17.395944684581423	0.0011756508471583117		-455.428784615243						-421.39204431702365	-421.39204431702365	-421.39204431702365	38.73617780744047	-1136.7901336910952	18.35115371566161	24.317547951842812	30.5495978825129	38.4734086872196	49.25164215236674	60.998020107178036	72.86140316799572	-1136.7901336910952	-1012.0974552022892	-1012.0974552022892	-1012.0974552022892	-403.61690469644793	-421.43014448056306	38.4734086872196	38.4734086872196	38.4734086872196	38.4734086872196	38.4734086872196	-1142.6504000000002	-397.62977550523226	-421.43014448056306	34.585871044393286	-1020.3531756259506							1431. phos44: pi species (aq) phosphoric acid	-1142.6504000000002	W	-1071.725261148768	-1054.6012326411621	-1037.4772041335564	-1020.3531756259506	-0.5870135416018923	-1003.2291471183448	-986.105118610739	-968.9810901031333	-1020.3531756259507	-1003.2291471183449	-968.9810901031333	-986.1051186107392	-1054.6012326411621	-1037.4772041335564	-1020.3531756259507	-1003.2291471183449	-986.1051186107392	-1020.3505883986797	-1006.8068331033937	-1009.5170850909323	-1022.7822004467598	-1006.8068331033937	-1009.5170850909323	-1022.7822004467598	-1022.7822004467598	-393.58140080388375	-410.7054293114895	-410.7054293114895	-410.7322288469446	-410.7322288469446	-1022.7822004467598	-393.58140080388375	-410.7054293114895	-410.7054293114895	-410.7322288469446	-410.7322288469446	-421.40226631211965	-421.43014448056306	-421.40226631211965	-421.43014448056306	-89.02809875703633	-332.3639455599873	-362.05267853351245	-391.7414115070376	-421.43014448056306	-451.1188774540881	-480.80761042761344	-510.4963434011387	-332.3639455599873	-362.05267853351245	-391.7414115070376	-421.43014448056306	-451.1188774540881	-480.80761042761344	-510.4963434011387	-388.4449046102399	-397.3598343049216	-406.2747639996038	-410.7322288469446	-415.1896936942856	-421.43014448056306	-424.1046233889675	-433.01955308364955	-441.9344827783316	-459.76434216769604	-477.59420155706	-388.4449046102399	-397.3598343049216	-406.27476399960375	-410.7322288469446	-415.1896936942856	-421.43014448056306	-424.1046233889675	-433.01955308364955	-441.9344827783316	-459.76434216769604	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-421.43014448056306	-410.79476109634004	-1012.0974552022892	-403.68195375614937	-421.4951935402645	-421.4951935402645	-421.4951935402645	-421.4951935402645	37.87071546651106	-410.79476109634004	-1037.4772041335564	-1037.4772041335564	-397.7191072900828	-1013.7876038967879		0.5311610910527583	0	-1014.3187649878407			-1142.6504000000002
1432. phos45: pi-blend	phos45: pi-blend	pi-reactant		1490	1432	pi-reactant	1537		0	?	0	4	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	W	0				phos45: pi-reactant	-	W																					-455.428784615243		-455.428784615243	-455.428784615243	4.699437509221127	-1136.822576366199	4.579877714666338	4.586949562735299	4.571752263085045	4.503049837256071	4.455766422128249	4.444803119619223	4.400397474291594	-1136.822576366199	-1044.1940741493806	-1046.0678140522527	-1046.0678140522527	-437.58726354641146	-455.4005033305266	4.503049837256071	4.503049837256071	4.503049837256071	4.503049837256071	4.503049837256071	-1142.695388364055	-432.2790378437429	-455.4005033305266	0.6155121944297548	-1055.0024379644613		-1058.6		-1.4512401758394695	-427.03442914046553	-1058.5	1432. phos45: pi-reactant	-	W	-1086.2733951867524	-1074.9026015737354	-1063.949914838916	-1055.0024379644613	-0.5683149457986517	-1048.5168664692028	-1042.7222896168369	-1037.0696611659903	-1055.0024379644613	-1048.5168664692028	-1037.0696611659903	-1042.7222896168369	-1074.902586632362	-1063.949892895901	-1055.0023945795929	-1048.5168122242328	-1042.7222336456489	-1055.0013174346338	-1042.8646858841655	-1045.2905321257858	-1056.0833560348406	-1042.8646375915773	-1045.2904848464045	-1056.0833560348406	-1056.0833560348406	-426.88255639196456	-444.0065848995703	-443.68704442784286	-443.71384396329796	-443.89073428375684	-1056.0833560348406	-426.88255639196456	-444.0065848995703	-443.68704442784286	-443.71384396329796	-443.89073428375684	-455.3726251620832	-455.4005033305266	-455.3726251620832	-455.4005033305266	-109.2935630542604	-346.1352215609826	-381.78327692261996	-417.71925712646544	-455.4005033305266	-495.91475318432657	-537.3608274151723	-578.9573490948428	-346.1352215609826	-381.78327692261996	-417.71925712646544	-455.4005033305266	-495.91475318432657	-537.3608274151723	-578.9573490948428	-419.40470034817344	-429.1224568316399	-438.84801441697743	-443.71384396329796	-448.5817745556656	-455.4005033305266	-458.3241409536625	-468.075517367919	-477.8363052698683	-497.38769543178387	-516.9813852438061	-419.40470034817344	-429.1224568316399	-438.8480144169774	-443.71384396329796	-448.5817745556656	-455.4005033305266	-458.3241409536625	-468.075517367919	-477.8363052698683	-497.38769543178387	-453.52676342765454	-455.1459764410622	-455.4005033305266	-455.5933584947643	-455.7489038585771	-453.52676342765454	-455.1459764410622	-455.4005033305266	-455.5933584947643	-455.7489038585771	-455.4005033305266	-455.4005033305266	-455.4005033305266	-455.4005033305266	-455.4005033305266	-455.4005033305266	-455.4005033305266	-455.4005033305266	-455.4005033305266	-455.4005033305266	-443.9532292371845	-1046.4161705952056	-438.0006691490657	-455.8139089331808	-455.6583668888609	-455.46551581153227	-453.591812487356	4.712247325666624	-443.9532292371845	-1063.949892895901	-1063.949892895901	-449.49235475133065						0.001		-
1433. phos46: H3PO4?	phos46: H3PO4?	H3PO4?	H3PO4	1491	1433	H3PO4?	1538		0	3	0	4	1	0	0	0		0	0	0	97.97	-1145.6	-	1018.7		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-1277.4	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-222	-	-	-	-	0.001	-17.813239784115144	-1145.6	-1145.6	E	0				phos46: H3PO4?	-1288.2536	E<W	-424.4603603995322																					-424.4603603995322	-424.4603603995322	-424.4603603995322	35.667861724931925	-1139.8584497736038	15.282837633153065	21.249231869334267	27.481281800004353	35.40509260471106	46.1833260698582	57.92970402466949	69.79308708548717	-1139.8584497736038	-1015.1657712847978	-1015.1657712847978	-1015.1657712847978	-406.6852207789565	-424.4984605630716	35.40509260471106	35.40509260471106	35.40509260471106	35.40509260471106	35.40509260471106	-1145.6	-400.57937550523195			-1023.3027756259503							1433. phos46: H3PO4?	-1145.6	E	-1074.6748611487676	-1057.5508326411618	-1040.426804133556	-1023.3027756259503	-0.5852055027018847	-1006.1787471183445	-989.0547186107387	-971.930690103133			-971.930690103133																														-424.4603603995322															-391.1471794383462	-400.16103920178534	-409.17489896522477	-413.6818288469443	-418.188758728664	-424.4984605630716	-427.20261849210317	-436.21647825554265	-445.2303380189819	-463.25805754586105	-481.28577707273945
1434. PHOSPHOHYDROXYPYRUVATE	PHOSPHOHYDROXYPYRUVATE			1462	1434		1507														0																																																	0				PHOSPHOHYDROXYPYRUVATE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1434. PHOSPHOHYDROXYPYRUVATE																																											0
1435. phosphohydroxypyruvate-species	phosphohydroxypyruvate-species	phosphohydroxypyruvate-species	C3H2O7P -3	1463	1435	phosphohydroxypyruvate-species	1508	3913-50-6	3	2	0	7	1	0	0	-3		-4	8	8	181		-	-		-	-	-	-	-	-		-	-	-	-	-	-1448.67	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1448.67	-1448.67	A	0				phosphohydroxypyruvate-species	-1900	XX<-phosphate glycerol	-306.9458592939103	-307.0125345801042	-307.0125345801042	-1374.4239926021642	-1374.4239926021642	-1374.43	4.370847619172835E-4	-1374.4239926021642	-1374.4239926021642	-7.287200336377658	-1393.16909580849											-306.9458592939103	-306.9458592939103	-306.9458592939103	463.71237000677655	-1430.5047811504276	338.8054052714907	374.8394901033324	413.9959494715589	463.3887847266508	520.8462570155455	580.8229703955824	645.83982999459	-1430.5047811504276	-1347.3763288245568	-1354.0402581812114	-1354.0402581812114	-289.1992947959891	-307.0125345801042	152.89101858767845	152.89101858767845	463.3887847266508	463.3887847266508	463.3887847266508	-1448.67	-284.6597672090875	-307.0125345801042	149.00348094485213	-1374.4257174203447	0.9999968841049341	-1380.7	-0.0017275731705993687	-2.531017078848581	-2.529289505677982	-1380.2	1435. phosphohydroxypyruvate-species	-1448.67	A	-1408.6737744355564	-1397.2577554304858	-1385.8417364254153	-1374.4257174203447	-0.7766733731743496	-1363.0096984152742	-1351.5936794102038	-1340.177660405133	-1374.4257174203449	-1363.0096984152742	-1340.177660405133	-1351.5936794102038	-1397.2576295565354	-1385.841610551465	-1374.4255915463946	-1363.009572541324	-1351.5935535362535	-1374.4239926021642	-1348.1430968689122	-1353.3973261345036	-1376.0450673008843	-1348.1429611277179	-1353.397192417723	-1376.0450673008843	-1376.0450673008843	-274.9436679258513	-292.06769643345706	-291.05356899471917	-291.10046818176556	-291.66614823762734	-1376.0450673008843	-274.9436679258513	-292.06769643345706	-291.05356899471917	-291.10046818176556	-291.66614823762734	-306.96374778532834	-307.0125345801042	-306.96374778532834	-307.0125345801042	-213.69220212318803	-93.25365717072228	-164.506616307183	-235.75957544364374	-307.0125345801042	-378.2654937165647	-449.51845285302534	-520.771411989486	-93.25365717072226	-164.506616307183	-235.75957544364374	-307.0125345801042	-378.2654937165647	-449.51845285302534	-520.771411989486	-258.01164785888835	-271.2376641378087	-284.4762563132434	-291.10046818176556	-297.7280638079514	-307.0125345801042	-310.9937260446957	-324.27388244623677	-337.56917243533564	-364.2077108672534	-390.9144567225368	-258.01164785888835	-271.2376641378087	-284.47625631324337	-291.10046818176556	-297.7280638079514	-307.0125345801042	-310.9937260446957	-324.27388244623677	-337.56917243533564	-364.2077108672534	-300.3486052234497	-306.200527469848	-307.0125345801042	-307.6134604727637	-308.08984927430095	-300.3486052234497	-306.200527469848	-307.0125345801042	-307.6134604727637	-308.08984927430095	-307.0125345801042	-307.0125345801042	-307.0125345801042	-307.0125345801042	-307.0125345801042	-307.0125345801042	-307.0125345801042	-307.0125345801042	-307.0125345801042	-307.0125345801042	-291.77546154628203	-1355.1174391586276	-290.39031162788274	-308.20355141199786	-307.727170839264	-307.1262553265741	-300.4624410779271	156.89001501656907	-291.77546154628203	-1385.841610551465	-1385.841610551465	-284.8159719586256	-1350.0965778940476		-1.2393758791231027	-1.593483273158275	-1350.4506852880827	0.001		-1448.67
1436. phosphohydroxypyruvic acid-species	phosphohydroxypyruvic acid-species	phosphohydroxypyruvic acid-species	C3H5O7P	1464	1436	phosphohydroxypyruvic acid-species	1509	3913-50-6	3	5	0	7	1	0	0	0		-4	8	8	184	-1511.7	-	-		-	-	-	-	-	-		-	-	-	-	-	-1448.67	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1511.7	-1511.7	E	0				phosphohydroxypyruvic acid-species	-1900	XX<-phosphate glycerol	-241.15609531898477																					-241.15609531898477	-241.15609531898477	-241.15609531898477	529.5021339817021	-1496.0716250209625	351.1554498940708	405.00277451002773	461.97247366236945	529.1785487015763	604.4492607745863	682.2392139387382	765.069313321861	-1496.0716250209625	-1288.2504942062858	-1288.2504942062858	-1288.2504942062858	-223.40953082106353	-241.22277060517868	218.68078256260398	218.68078256260398	529.1785487015763	529.1785487015763	529.1785487015763	-1511.7	-218.10534249866032			-1307.8712927099175							1436. phosphohydroxypyruvic acid-species	-1511.7	E	-1393.4914352479464	-1364.95138773527	-1336.4113402225937	-1307.8712927099175	-0.8156117527288882	-1279.331245197241	-1250.7911976845648	-1222.2511501718886			-1222.2511501718886																														-241.15609531898477															-200.4192480761073	-211.44722713801798	-222.4752061999296	-227.98919573088506	-233.50318526184097	-241.22277060517868	-244.53116432375214	-255.55914338566328	-266.58712244757464	-288.64308057139766	-310.6990386952199
1437. PHOSPHOSERINE	PHOSPHOSERINE			1465	1437		1510														0																																																	0				PHOSPHOSERINE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1437. PHOSPHOSERINE																																											0
1438. phosphoserine 11: -species	phosphoserine 11: -species	phosphoserine-species	C3H6NO6P 2-	1466	1438	phosphoserine-species	1511	407-41-0	3	6	1	6	1	0	0	-2		-2	10	18	183.01		-	-		-	-	-	-	-	-		-	-	-	-	-	-1360.75	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1360.75	-1360.75	A	-518.3976	-123.9	-842.3524	-842.3524	phosphoserine 11: -species	-1900	XX<-phosphate glycerol	-197.6578128343498	-197.71496307965882	-197.71496307965882	-1119.3891325024158	-1119.3891325024158		-100	-1119.389132502416	-1119.389132502416	-3.238755705056737	-1141.3763851061817	-194.90493082354752	2.7528820108022956	2.9081983982994295	3.252053893366324							-197.6578128343498	-197.6578128343498	-197.6578128343498	502.49034578884533	-1339.0461596511823	270.70853747130815	342.3691018713804	417.15204080783735	502.1713556311592	595.2553074882842	690.8585004365514	791.5018396037894	-1339.0461596511823	-1089.6608026735703	-1092.6225490543056	-1092.6225490543056	-179.90172329554366	-197.71496307965882	262.1885900881239	262.1885900881239	572.6863562270962	239.74532852820425	502.1713556311592	-1360.75	-185.30920677588006	-197.71496307965882	258.3010524452975	-1119.3943069569575							1438. phosphoserine 11: -species	-1360.75	A	-1222.1384780025921	-1187.8904209873806	-1153.642363972169	-1119.3943069569575	-0.8234243183068556	-1085.146249941746	-1050.8981929265344	-1016.6501359113229	-1119.3943069569577	-1085.1462499417462	-1016.6501359113229	-1050.8981929265346	-1187.8903650434029	-1153.6423080281913	-1119.3942510129798	-1085.1461939977683	-1050.8981369825567	-1119.3891325024158	-1080.0763729228174	-1087.9406153623459	-1124.252356598576	-1080.0763125933977	-1087.9405559326656	-1124.252356598576	-1124.252356598576	-180.45115713426185	-197.57518564186762	-197.1244623357618	-197.16466163894438	-197.41607499710517	-1124.252356598576	-180.45115713426185	-197.57518564186762	-197.1244623357618	-197.16466163894438	-197.41607499710517	-197.67314582699376	-197.71496307965882	-197.67314582699376	-197.71496307965882	-106.82228845938198	-90.83552437496783	-126.46200394319808	-162.08848351142834	-197.71496307965882	-233.34144264788884	-268.9679222161193	-304.59440178434954	-90.83552437496782	-126.46200394319807	-162.08848351142834	-197.71496307965882	-233.34144264788884	-268.9679222161193	-304.59440178434954	-196.04545275167726	-196.48890881759314	-196.9379541708482	-197.16466163894438	-197.39287299933622	-197.71496307965882	-197.8539494909512	-198.3214678335873	-198.79571221513768	-199.76551584655914	-200.76563388836482	-196.04545275167726	-196.48890881759314	-196.9379541708482	-197.16466163894438	-197.39287299933622	-197.71496307965882	-197.8539494909512	-198.3214678335873	-198.79571221513768	-199.76551584655914	-194.75321669892347	-197.354071030656	-197.71496307965882	-197.9820412541741	-198.19376961041294	-194.75321669892347	-197.354071030656	-197.71496307965882	-197.9820412541741	-198.19376961041294	-197.71496307965882	-197.71496307965882	-197.71496307965882	-197.71496307965882	-197.71496307965882	-197.71496307965882	-197.71496307965882	-197.71496307965882	-197.71496307965882	-197.71496307965882	-197.50982086995987	-1093.1012961553795	-180.47804398616972	-198.29128377028488	-198.07955907129204	-197.81248551009654	-194.85079028847568	251.15565569289123	-197.50982086995987	-1153.6423080281913	-1153.6423080281913	-185.44314850917795	-1093.749314850638		0.3541073940351722	-0.7082147880703444	-1094.8116370327436	0.001		-1360.75
1439. phosphoserine 12: -species	phosphoserine 12: -species	phosphoserine-species	C3H7NO6P 1-	1467	1439	phosphoserine-species	1512		3	7	1	6	1	0	0	-1		-2	10	18	184.01		-	-		-	-	-	-	-	-		-	-	-	-	-	-1397.51	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1397.51	-1397.51	A	0				phosphoserine 12: -species	-1899	XX<-phosphate glycerol	-192.15204881274522	-192.20919905805422	-192.20919905805422	-1112.9534618565165	-1112.9534618565165		-100	-1112.9534618565167	-1112.9534618565167	-0.8096889262641842	-1135.7512518096423		-2.7528820108022956	0.3438554950668945								-192.15204881274522	-192.15204881274522	-192.15204881274522	507.9961098104499	-1377.3259315780647	258.4010617087975	335.9993727035747	416.7200582347367	507.6771196527638	606.6988181045936	708.239757647566	814.820843409509	-1377.3259315780647	-1086.3763484375172	-1087.116785032701	-1087.116785032701	-174.39595927393907	-192.20919905805422	267.69435410972847	267.69435410972847	578.1921202487008	245.25109254980885	507.6771196527638	-1397.51	-178.87439853907108	-192.20919905805422	263.8068164669021	-1112.9594987201485							1439. phosphoserine 12: -species	-1397.51	A	-1232.827698273389	-1192.8716317556423	-1152.9155652378954	-1112.9594987201485	-0.8273503671663605	-1073.0034322024017	-1033.047365684655	-993.091299166908	-1112.9594987201488	-1073.0034322024019	-993.091299166908	-1033.047365684655	-1192.8716177696479	-1152.915551251901	-1112.9594847341543	-1073.0034182164075	-1033.0473516986606	-1112.9534618565165	-1073.277195459753	-1081.2156230722235	-1118.6272233020366	-1073.277180377398	-1081.2156082148035	-1118.6272233020366	-1118.6272233020366	-174.82602383772246	-191.95005234532823	-191.83737151880177	-191.87757082198436	-191.94042416152456	-1118.6272233020366	-174.82602383772246	-191.95005234532823	-191.83737151880177	-191.87757082198436	-191.94042416152456	-192.16738180538917	-192.20919905805422	-192.16738180538917	-192.20919905805422	-89.00904867526674	-103.14300013747848	-132.83173311100373	-162.52046608452898	-192.20919905805422	-221.89793203157947	-251.58666500510472	-281.27539797862994	-103.14300013747847	-132.83173311100373	-162.52046608452898	-192.20919905805422	-221.89793203157947	-251.58666500510472	-281.27539797862994	-191.1934917753943	-191.46606652178264	-191.7400385900058	-191.87757082198436	-192.01547902703706	-192.20919905805422	-192.2924588798503	-192.5710491954182	-192.85132102071546	-193.41719338838988	-193.99064435865986	-191.1934917753943	-191.46606652178264	-191.7400385900058	-191.87757082198436	-192.01547902703706	-192.20919905805422	-192.2924588798503	-192.5710491954182	-192.85132102071546	-193.41719338838988	-191.4687624628704	-192.11897604580363	-192.20919905805422	-192.2759686016831	-192.3289006907427	-191.4687624628704	-192.11897604580363	-192.20919905805422	-192.2759686016831	-192.3289006907427	-192.20919905805422	-192.20919905805422	-192.20919905805422	-192.20919905805422	-192.20919905805422	-192.20919905805422	-192.20919905805422	-192.20919905805422	-192.20919905805422	-192.20919905805422	-192.034209410308	-1087.2364718079696	-174.6132196387598	-192.42645942287496	-192.37352824812675	-192.30675985782787	-191.5663360524226	256.6312671525431	-192.034209410308	-1152.915551251901	-1152.915551251901	-179.00838223035248	-1090.4970824216985		1.0623221821055167	-0.1770536970175861	-1091.7364583008216	0.001		-1397.51
1440. phosphoserine 13: -blend	phosphoserine 13: -blend	phosphoserine-reactant		1468	1440	phosphoserine-reactant	1513		3	?	1	6	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				phosphoserine 13: -reactant	-	XX<-phosphate glycerol						-1119.57										-197.945993665471					-197.945993665471		-197.945993665471	-197.945993665471	502.20216495772416	-1377.3259320655293	258.3838199587664	335.8164697905491	415.2083696772224	501.9160026509974	595.2309117508682	690.8562668190261	791.5016359284535	-1377.3259320655293	-1090.2451437855516	-1092.8779020344673	-1092.8779020344673	-180.1570762757054	-197.97031605982056	261.9332371079621	261.9332371079621	572.4310032469344	239.48997554804248	501.9160026509974	-1397.5100008999027	-185.48753688953207	-197.97031605982056	258.0456994651358	-1119.5726370706095	1.0000023554316475	-1127.6	0.001063782299608226	-3.2382017249721913	-3.2392655072717993	-1127.9	1440. phosphoserine 13: -reactant	-	A	-1232.8607126789304	-1193.1835152712047	-1155.0237878443784	-1119.5726370706095	-0.8231950414727875	-1085.1646714301717	-1050.9000412477708	-1016.650320805474	-1119.5726370706097	-1085.164671430172	-1016.650320805474	-1050.900041247771	-1193.1834963249853	-1155.0237498259341	-1119.5725840390003	-1085.1646157968369	-1050.8999853350658	-1119.5674027650814	-1080.2310704108818	-1088.0998644778763	-1124.496276180687	-1080.2310128187971	-1088.099807821525	-1124.496276180687	-1124.496276180687	-180.69507671637282	-197.8191052239786	-197.40209117892988	-197.44229048211247	-197.6743916723017	-1124.496276180687	-180.69507671637282	-197.8191052239786	-197.40209117892988	-197.44229048211247	-197.6743916723017	-197.9284988071555	-197.97031605982056	-197.9284988071555	-197.97031605982056	-94.78575177796145	-103.16024188750956	-133.01463602402933	-164.03215464204328	-197.97031605982056	-233.3658383853048	-268.9701558336446	-304.5946054596854	-103.16024188750954	-133.01463602402933	-164.03215464204328	-197.97031605982056	-233.3658383853048	-268.9701558336446	-304.5946054596854	-196.37297208064987	-196.79590695081674	-197.22518455767445	-197.44229048211247	-197.66108848980386	-197.97031605982056	-198.10390290285383	-198.5539121385251	-199.0114003590019	-199.94994745522044	-200.92180140000292	-196.37297208064987	-196.79590695081674	-197.22518455767445	-197.44229048211247	-197.66108848980386	-197.97031605982056	-198.10390290285383	-198.5539121385251	-199.0114003590019	-199.94994745522044	-195.33755781090477	-197.63726080114088	-197.97031605982056	-198.21848723421556	-198.41618263908381	-195.33755781090477	-197.63726080114088	-197.97031605982056	-198.21848723421556	-198.41618263908381	-197.97031605982056	-197.97031605982056	-197.97031605982056	-197.97031605982056	-197.97031605982056	-197.97031605982056	-197.97031605982056	-197.97031605982056	-197.97031605982056	-197.97031605982056	-197.7681414417604	-1093.3237130089722	-180.70046083976248	-198.51370062387764	-198.3160088567305	-198.06784224589248	-195.43513140045698	250.8973351210907	-197.7681414417604	-1155.0237498259341	-1155.0237498259341	-202.74551004280417						0.001		-
1441. phosphoserine 14: phosphoserinic acid?	phosphoserine 14: phosphoserinic acid?	phosphoserinic acid?	C3H7NO6P 1-	1469	1441	phosphoserinic acid?	1514		3	8	1	6	1	0	0	0		-2	10	18	185.01	-1424.5	-	-		-	-	-	-	-	-		-	-	-	-	-	-1397.51	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1424.5	-1424.5	E	0				phosphoserine 14: phosphoserinic acid?	-1899	XX<-phosphate glycerol	-177.92368489749052																					-177.92368489749052	-177.92368489749052	-177.92368489749052	522.2244737257047	-1405.402230420929	254.81618583993696	338.3522434294194	425.0106755552864	521.9054835680186	626.8649286145535	734.3436147522307	846.862447108879	-1405.402230420929	-1072.8884211174463	-1072.8884211174463	-1072.8884211174463	-160.16759535868437	-177.98083514279952	281.92271802498317	281.92271802498317	592.4204841639555	259.47945646506355	521.9054835680186	-1424.5	-164.28896815479038			-1098.3740683358678							1441. phosphoserine 14: phosphoserinic acid?	-1424.5	E	-1235.366296396714	-1189.702220376432	-1144.0381443561498	-1098.3740683358678	-0.838011757536246	-1052.7099923155856	-1007.0459162953036	-961.3818402750215			-961.3818402750215																														-177.92368489749052															-178.7012900830428	-178.5065725316257	-178.3118549802085	-178.2144962044997	-178.11713742879138	-177.98083514279952	-177.92241987737407	-177.72770232595707	-177.53298477453987	-177.14354967170613	-176.7541145688718
1442. PPI (PYROPHOSPHATE)	PPI (PYROPHOSPHATE)			1492	1442		1539														0																																																	0				PPI (PYROPHOSPHATE)																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1442. PPI (PYROPHOSPHATE)																																											0
1443. ppi 11: H4P2O7 (pyrophosphoric acid)	ppi 11: H4P2O7 (pyrophosphoric acid)	H4P2O7	H4P2O7	1493	1443	H4P2O7	1540		0	4	0	7	2	0	0	0		0	0	0	177.94		-	-2032		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-2268.6	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	268	-	-	-	-	0.001	-17.813239784115144	-2032	-2032	Z	0				ppi 11: H4P2O7 (pyrophosphoric acid)	-2268.6	Z	-809.1259729996126	-809.1926482858065	-809.1926482858065	-1868.9335845315727	-1868.9335845315727		-100	-1868.9335845315727	-1868.9335845315727	0	-1889.2997624366185											-809.1259729996126	-809.1259729996126	-809.1259729996126	111.13047124931563	-2022.4772765386551	70.36994810664282	82.302736579005	94.76683644034495	110.61445804975881	132.17092498005263	155.66368088967533	179.3904470113108	-2022.4772765386551	-1856.2203718869137	-1856.2203718869137	-1856.2203718869137	-791.3794085016914	-809.1926482858065	110.61445804975881	110.61445804975881	110.61445804975881	110.61445804975881	110.61445804975881	-2032	-779.1710839566767	-809.1926482858065	102.83938276410618	-1868.937034167934							1443. ppi 11: H4P2O7 (pyrophosphoric acid)	-2032	Z	-1937.433148198357	-1914.601110188216	-1891.769072178075	-1868.937034167934	-0.567066220954928	-1846.1049961577928	-1823.272958147652	-1800.4409201375108	-1868.937034167934	-1846.1049961577928	-1800.4409201375108	-1823.272958147652	-1914.6011101882161	-1891.769072178075	-1868.937034167934	-1846.1049961577928	-1823.272958147652	-1868.9335845315727	-1848.7389503260183	-1852.7798784051047	-1872.1757339290127	-1848.7389503260183	-1852.7798784051047	-1872.1757339290127	-1872.1757339290127	-771.0743345539797	-788.1983630615855	-788.1983630615855	-788.2452622486319	-788.2452622486319	-1872.1757339290127	-771.0743345539797	-788.1983630615855	-788.1983630615855	-788.2452622486319	-788.2452622486319	-809.1438614910306	-809.1926482858065	-809.1438614910306	-809.1926482858065	-178.06572255495757	-631.060250444655	-690.4377163917055	-749.815182338756	-809.1926482858065	-868.570114232857	-927.9475801799076	-987.325046126958	-631.060250444655	-690.4377163917055	-749.815182338756	-809.1926482858065	-868.570114232857	-927.9475801799076	-987.325046126958	-744.604874671185	-762.0610297021638	-779.5171847331429	-788.2452622486319	-796.9733397641213	-809.1926482858065	-814.4294947951	-831.885649826079	-849.3418048570574	-884.2541149190156	-919.1664249809729	-744.604874671185	-762.0610297021638	-779.5171847331429	-788.2452622486319	-796.9733397641213	-809.1926482858065	-814.4294947951	-831.885649826079	-849.3418048570574	-884.2541149190156	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-809.1926482858065	-788.3546936850737	-1856.2203718869137	-791.4932443561688	-809.3064841402839	-809.3064841402839	-809.3064841402839	-809.3064841402839	108.9762594406285	-788.3546936850737	-1891.769072178075	-1891.769072178075	-779.3274145801649	-1858.473903479579		0.7082147880703444	0	-1859.1821182676492			-2032
1444. ppi 12: H4P2O7? (pyrophosphoric acid)	ppi 12: H4P2O7? (pyrophosphoric acid)	H4P2O7?	H4P2O7	1494	1444	H4P2O7?	1541		0	4	0	7	2	0	0	0		0	0	0	177.94	-2033.8	-	-2032		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-2268.6	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	268	-	-	-	-	0.001	-17.813239784115144	-2033.8	-2033.8	E	0				ppi 12: H4P2O7? (pyrophosphoric acid)	-2268.6	E<Z	-810.9984197546017																					-810.9984197546017	-810.9984197546017	-810.9984197546017	109.25802449432649	-2024.3497232936443	68.49750135165368	80.43028982401586	92.8943896853558	108.74201129476967	130.2984782250635	153.7912341346862	177.51800025632167	-2024.3497232936443	-1858.0928186419028	-1858.0928186419028	-1858.0928186419028	-793.2518552566805	-811.0650950407957	108.74201129476967	108.74201129476967	108.74201129476967	108.74201129476967	108.74201129476967	-2033.8	-780.9710839566767			-1870.7370341679339							1444. ppi 12: H4P2O7? (pyrophosphoric acid)	-2033.8	E	-1939.233148198357	-1916.4011101882159	-1893.569072178075	-1870.7370341679339	-0.5664818705450402	-1847.9049961577928	-1825.0729581476517	-1802.2409201375108			-1802.2409201375108																														-810.9984197546017															-746.2539439316243	-763.7704712584275	-781.2869985852307	-790.0452622486318	-798.8035259120335	-811.0650950407957	-816.3200532388366	-833.8365805656396	-851.3531078924424	-886.386162546049	-921.4192171996548
1445. ppi 13: ppi3--species	ppi 13: ppi3--species	ppi3--species	HP2O7 3-	1495	1445	ppi3--species	1542		0	1	0	7	2	0	0	-3		0	0	0	174.94		-472.4	-1972.2	-1976.5216	-	-1972.2	-	-	-	-		-	-	-	-	-	-1973.86	-	-	-2274.8	-2274.8	-544	-2276.096	-	-	-	-	-		-2294.87	-	-	-	-	-	-	-	-	46	-	-	-	-	0.001	-17.813239784115144	-1972.2	-1972.2	Z	0				ppi 13: ppi3--species	-2274.8	Z	-878.0261998288062	-878.0928751150001	-878.0928751150001	-1938.720596469271	-1938.720596469271		-100	-1938.720596469271	-1938.720596469271	-7.287200336377658	-1956.6551623262367	-864.0403232425907	13.985876586215454	226.68262440018387	249.77541204171663							-878.0261998288062	-878.0261998288062	-878.0261998288062	42.23024442012206	-1960.020895522388	54.90944062979497	49.02898931804191	43.679849395266615	41.71423122056524	45.45745836674428	51.13697449225174	57.05050082977186	-1960.020895522388	-1918.4566693594527	-1925.1205987161072	-1925.1205987161072	-860.279635330885	-878.0928751150001	41.71423122056524	41.71423122056524	41.71423122056524	41.71423122056524	41.71423122056524	-1972.2	-848.9555086671041	-878.0928751150001	33.939155934912606	-1938.7214588783613							1445. ppi 13: ppi3--species	-1972.2	Z	-1955.845487385967	-1950.1374778834318	-1944.4294683808964	-1938.7214588783613	-0.5471107023611406	-1933.013449375826	-1927.3054398732907	-1921.5974303707555	-1938.7214588783613	-1933.013449375826	-1921.5974303707555	-1927.3054398732907	-1950.1373520094814	-1944.429342506946	-1938.721333004411	-1933.0133235018757	-1927.3053139993403	-1938.720596469271	-1921.9951511706874	-1925.3377900398516	-1939.531133818631	-1921.9950154294932	-1925.337656323071	-1939.531133818631	-1939.531133818631	-838.4297344435979	-855.5537629512037	-854.5396355124658	-854.5865346995122	-855.152214755374	-1939.531133818631	-838.4297344435979	-855.5537629512037	-854.5396355124658	-854.5865346995122	-855.152214755374	-878.0440883202242	-878.0928751150001	-878.0440883202242	-878.0928751150001	-231.5054419073033	-646.5207579215029	-723.7114636526686	-800.9021693838343	-878.0928751150001	-955.2835808461654	-1032.4742865773312	-1109.664992308497	-646.5207579215029	-723.7114636526686	-800.9021693838343	-878.0928751150001	-955.2835808461654	-1032.4742865773312	-1109.664992308497	-805.6763101742414	-825.2308881341194	-844.7980419905115	-854.5865346995122	-864.378411166177	-878.0928751150001	-883.9726350838787	-903.5813531663774	-923.2052048364334	-962.5008666302658	-1001.8647358474644	-805.6763101742414	-825.2308881341194	-844.7980419905115	-854.5865346995122	-864.378411166177	-878.0928751150001	-883.9726350838787	-903.5813531663774	-923.2052048364334	-962.5008666302658	-871.4289457583455	-877.2808680047439	-878.0928751150001	-878.6938010076595	-879.1701898091968	-871.4289457583455	-877.2808680047439	-878.0928751150001	-878.6938010076595	-879.1701898091968	-878.0928751150001	-878.0928751150001	-878.0928751150001	-878.0928751150001	-878.0928751150001	-878.0928751150001	-878.0928751150001	-878.0928751150001	-878.0928751150001	-878.0928751150001	-855.2615280640287	-1926.1977796935234	-861.4706521627786	-879.2838919468937	-878.8075113741598	-878.20659586147	-871.542781612823	42.06942506167354	-855.2615280640287	-1944.429342506946	-1944.429342506946	-849.111713416642	-1920.6135355307772		-1.4164295761406889	-1.593483273158275	-1920.7905892277947	0.001		-1972.2
1446. ppi 14: ppi2- -species	ppi 14: ppi2- -species	ppi2- -species	H2P2O7 2-	1496	1446	ppi2- -species	1543		0	2	0	7	2	0	0	-2		0	0	0	175.94		-481.6	-2010.2	-2015.0144000000003	-	-2010.2	-	-	-	-		-	-	-	-	-	-2012.21	-	-	-2278.6	-2278.6	-544.6	-2278.6064	-	-	-	-	-		-2295.37	-	-	-	-	-	-	-	-	163	-	-	-	-	0.001	-17.813239784115144	-2010.2	-2010.2	Z	0				ppi 14: ppi2- -species	-2278.6	Z	-872.1362790347445	-872.2029543209384	-872.2029543209384	-1931.9055479708431	-1931.9055479708431		-100	-1931.905547970843	-1931.905547970843	-3.238755705056737	-1950.650651177169		8.095955792153745	23.09259660826756								-872.1362790347445	-872.1362790347445	-872.1362790347445	48.12016521418377	-1999.397383867181	42.98612163974144	43.04341692269338	43.63202359462309	47.60415201462695	57.28512575551076	68.90238847572346	80.75366140794858	-1999.397383867181	-1916.2689315413102	-1919.2306779220455	-1919.2306779220455	-854.3897145368232	-872.2029543209384	47.60415201462695	47.60415201462695	47.60415201462695	47.60415201462695	47.60415201462695	-2010.2	-842.1413225777665	-872.2029543209384	39.829076728974314	-1931.9072727890236							1446. ppi 14: ppi2- -species	-2010.2	Z	-1966.1553298042352	-1954.7393107991647	-1943.3232917940943	-1931.9072727890236	-0.5485620395353275	-1920.4912537839532	-1909.0752347788828	-1897.659215773812	-1931.9072727890239	-1920.4912537839532	-1897.659215773812	-1909.0752347788828	-1954.7392548551868	-1943.3232358501164	-1931.907216845046	-1920.4911978399753	-1909.0751788349048	-1931.9055479708431	-1914.5105485401164	-1917.9892377118952	-1933.5266226695633	-1914.5104882106966	-1917.9891782822149	-1933.5266226695633	-1933.5266226695633	-832.4252232945303	-849.549251802136	-849.0985284960302	-849.1454276830766	-849.3968410412374	-1933.5266226695633	-832.4252232945303	-849.549251802136	-849.0985284960302	-849.1454276830766	-849.3968410412374	-872.1541675261625	-872.2029543209384	-872.1541675261625	-872.2029543209384	-213.69220212318805	-658.4440769115564	-729.6970360480171	-800.9499951844779	-872.2029543209384	-943.4559134573989	-1014.7088725938595	-1085.9618317303202	-658.4440769115564	-729.6970360480171	-800.9499951844779	-872.2029543209384	-943.4559134573989	-1014.7088725938595	-1085.9618317303202	-801.1361663017516	-820.3356433652905	-839.5407097161686	-849.1454276830766	-858.7516495422798	-872.2029543209384	-877.968747031518	-897.1922863717772	-916.4225517509504	-954.9043973776181	-993.4165574146704	-801.1361663017516	-820.3356433652905	-839.5407097161686	-849.1454276830766	-858.7516495422798	-872.2029543209384	-877.968747031518	-897.1922863717772	-916.4225517509504	-954.9043973776181	-869.241207940203	-871.8420622719356	-872.2029543209384	-872.4700324954537	-872.6817608516925	-869.241207940203	-871.8420622719356	-872.2029543209384	-872.4700324954537	-872.6817608516925	-872.2029543209384	-872.2029543209384	-872.2029543209384	-872.2029543209384	-872.2029543209384	-872.2029543209384	-872.2029543209384	-872.2029543209384	-872.2029543209384	-872.2029543209384	-849.5062199764407	-1919.7094250231194	-854.9822974923745	-872.7955372764897	-872.5838125774968	-872.3167390163013	-869.3550437946805	47.82473314926153	-849.5062199764407	-1943.3232358501164	-1943.3232358501164	-842.297597257277	-1918.1039121257131		-0.3541073940351722	-0.7082147880703444	-1918.4580195197482	0.001		-2010.2
1447. ppi 15: ppi- -species	ppi 15: ppi- -species	ppi- -species	H3P2O7 -	1497	1447	ppi- -species	1544		0	3	0	7	2	0	0	-1		0	0	0	176.94		-484.7	-2023.2	-2027.9848	-	-	-	-	-	-		-	-	-	-	-	-2025.11	-	-	-	-2276.5	-544.1	-2276.5144	-	-	-	-	-		-2290.37	-	-	-	-	-	-	-	-	213	-	-	-	-	0.001	-17.813239784115144	-2023.2	-2023.2	Z	0				ppi 15: ppi- -species	-2276.5	Z	-841.9584908642217	-842.0251661504157	-842.0251661504157	-1901.7098773249438	-1901.7098773249438		-100	-1901.7098773249438	-1901.7098773249438	-0.8096889262641842	-1921.2655178806297		-22.081832378368972	1.910332651869904E-4								-841.9584908642217	-841.9584908642217	-841.9584908642217	78.29795338470649	-2013.005131645145	55.35067002614892	61.34571190380609	67.87206517044103	77.78194018514967	93.40066052073871	110.95566983565618	128.74468936258654	-2013.005131645145	-1888.312453156339	-1889.0528897515228	-1889.0528897515228	-824.2119263663005	-842.0251661504157	77.78194018514967	77.78194018514967	77.78194018514967	77.78194018514967	77.78194018514967	-2023.2	-811.9465143409575	-842.0251661504157	70.00686489949703	-1901.7124645522147							1447. ppi 15: ppi- -species	-2023.2	Z	-1953.084550075032	-1935.9605215674262	-1918.8364930598204	-1901.7124645522147	-0.5572629897746015	-1884.588436044609	-1867.4644075370031	-1850.3403790293974	-1901.7124645522147	-1884.588436044609	-1850.3403790293974	-1867.4644075370031	-1935.9605075814318	-1918.836479073826	-1901.7124505662202	-1884.5884220586145	-1867.4643935510087	-1901.7098773249438	-1882.8113408909037	-1886.5922212728544	-1904.141489373024	-1882.8113258085486	-1886.5922064154345	-1904.141489373024	-1904.141489373024	-803.0400899979909	-820.1641185055967	-820.0514376790702	-820.0983368661166	-820.1611902056568	-1904.141489373024	-803.0400899979909	-820.1641185055967	-820.0514376790702	-820.0983368661166	-820.1611902056568	-841.9763793556398	-842.0251661504157	-841.9763793556398	-842.0251661504157	-195.8789623390728	-646.0795285251489	-711.3947410669044	-776.7099536086599	-842.0251661504157	-907.3403786921709	-972.6555912339268	-1037.9708037756823	-646.0795285251489	-711.3947410669044	-776.7099536086599	-842.0251661504157	-907.3403786921709	-972.6555912339268	-1037.9708037756823	-774.4242556357152	-792.6928312556279	-810.9628041973757	-820.0983368661166	-829.2342455079312	-842.0251661504157	-847.507226234269	-865.781817423362	-884.0580901221834	-920.6159642369064	-957.1814169542257	-774.4242556357152	-792.6928312556279	-810.9628041973757	-820.0983368661166	-829.2342455079312	-842.0251661504157	-847.507226234269	-865.781817423362	-884.0580901221834	-920.6159642369064	-841.2847295552318	-841.9349431381651	-842.0251661504157	-842.0919356940445	-842.1448677831041	-841.2847295552318	-841.9349431381651	-842.0251661504157	-842.0919356940445	-842.1448677831041	-842.0251661504157	-842.0251661504157	-842.0251661504157	-842.0251661504157	-842.0251661504157	-842.0251661504157	-842.0251661504157	-842.0251661504157	-842.0251661504157	-842.0251661504157	-820.2706085167888	-1889.1725765267913	-824.4454489960465	-842.2586887801616	-842.2057576054134	-842.1389892151145	-841.3985654097092	77.0603446089134	-820.2706085167888	-1918.836479073826	-1918.836479073826	-812.1028309784513	-1890.1796555478552		0.3541073940351722	-0.1770536970175861	-1890.710816638908	0.001		-2023.2
1448. ppi 16: ppi-blend	ppi 16: ppi-blend	ppi-reactant		1498	1448	ppi-reactant	1546		0	?	0	7	2	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	Z	0				ppi 16: ppi-reactant	-	Z						-										-878.2763657148577					-878.2763657148577		-878.2763657148577	-878.2763657148577	41.98007853407057	-2013.0153504322354	42.94928662739471	42.82972012829737	41.93746817102863	41.49395698313663	45.43655006537608	51.1350614015837	57.05032639235401	-2013.0153504322354	-1919.314985004827	-1925.3408729535358	-1925.3408729535358	-860.4999095683136	-878.3131493524287	41.49395698313663	41.49395698313663	41.49395698313663	41.49395698313663	41.49395698313663	-2023.2130504041907	-849.1093015210695	-878.3131493524287	33.718881697483994	-1938.8752517323267		-1943.6		-1.9059419793295385		-1943.6	1448. ppi 16: ppi-reactant	-	Z	-1966.2062510642086	-1955.1002900683948	-1945.655907257211	-1938.8752517323267	-0.5470175995437848	-1933.0292651091343	-1927.3070259943152	-1921.597589028527	-1938.8752517323267	-1933.0292651091343	-1921.597589028527	-1927.3070259943152	-1955.1002246978278	-1945.655808675941	-1938.8751300650188	-1933.029139679923	-1927.3069001650947	-1938.87433745402	-1922.1133543799162	-1925.4624968202836	-1939.741868923257	-1922.1132221502282	-1925.4623667482172	-1939.741868923257	-1939.741868923257	-838.6404695482241	-855.7644980558299	-854.8013941514612	-854.8482933385076	-855.3842176319888	-1939.741868923257	-838.6404695482241	-855.7644980558299	-854.8013941514612	-854.8482933385076	-855.3842176319888	-878.2643625576528	-878.3131493524287	-878.2643625576528	-878.3131493524287	-219.79545379095453	-658.4809119239031	-729.9107328424132	-802.6445506080723	-878.3131493524287	-955.3044891475336	-1032.4761996679993	-1109.6651667459148	-658.4809119239031	-729.9107328424132	-802.6445506080723	-878.3131493524287	-955.3044891475336	-1032.4761996679993	-1109.6651667459148	-806.04462319847	-825.5530956276687	-845.0788433557717	-854.8482933385076	-864.6221797681776	-878.3131493524287	-884.1834204684386	-903.7628861927229	-923.3609054587555	-962.6139712607834	-1001.9454816840722	-806.04462319847	-825.5530956276687	-845.0788433557717	-854.8482933385076	-864.6221797681776	-878.3131493524287	-884.1834204684386	-903.7628861927229	-923.3609054587555	-962.6139712607834	-872.2872614037199	-877.5428567543312	-878.3131493524287	-878.8873751328591	-879.3448360356778	-872.2872614037199	-877.5428567543312	-878.3131493524287	-878.8873751328591	-879.3448360356778	-878.3131493524287	-878.3131493524287	-878.3131493524287	-878.3131493524287	-878.3131493524287	-878.3131493524287	-878.3131493524287	-878.3131493524287	-878.3131493524287	-878.3131493524287	-855.4935368040102	-1926.3724309736212	-861.6453034428763	-879.4585432269914	-879.0010907361931	-878.426875536181	-872.4010972581973	41.83741632169199	-855.4935368040102	-1945.655808675941	-1945.655808675941	-866.3895389848554
1449. ppi 20	ppi 20			1499	1449																0																																																	0				ppi 20																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1449. ppi 20																																											0
1450. ppi 21: ppi4- -species	ppi 21: ppi4- -species	ppi4- -species	P2O7 4-	1500	1450	ppi4- -species	1547		0	0	0	7	2	0	0	-4		0	0	0	173.94		-459.6	-	-1922.9664000000002	-	-1919	-	-	-	-		-	-	-	-	-	-1919.86	-	-	-2271.1	-	-545	-2280.28	-	-	-	-	-		-2293.47	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1919.86	-1919.86	A	-244.3456	-58.4	-1675.5144	-837.7572	ppi 21: ppi4- -species	-2293.47	A	-869.5754576737085	-869.6421329599024	-869.6421329599024	-1932.815022820227	-1932.815022820227		-100	-1932.815022820227	-1932.815022820227	-12.955022820226947	-1949.9390513278327	-854.3687091595411	15.206748514167316	363.9403662684683	15838.320177230544							-869.5754576737085	-869.5754576737085	-869.5754576737085	50.68098657521978	-1904.822871038068	81.1734225690077	69.35522466254963	58.06833814506933	50.16497337566295	47.97045392713676	47.71222345793922	47.68800320075434	-1904.822871038068	-1904.822871038068	-1916.6698565610095	-1916.6698565610095	-851.8288931757872	-869.6421329599024	50.16497337566295	50.16497337566295	50.16497337566295	50.16497337566295	50.16497337566295	-1919.86	-843.0490726089697	-869.6421329599024	42.38989809001032	-1932.815022820227							1450. ppi 21: ppi4- -species	-1919.86	A	-1932.815022820227	-1932.815022820227	-1932.815022820227	-1932.815022820227	-0.5500989761529868	-1932.815022820227	-1932.815022820227	-1932.815022820227	-1932.815022820227	-1932.815022820227	-1932.815022820227	-1932.815022820227	-1932.8147990443151	-1932.8147990443151	-1932.8147990443151	-1932.8147990443151	-1932.8147990443151	-1932.815022820227	-1915.0341543167451	-1918.5850826840258	-1932.815022820227	-1915.0339129990664	-1918.5848449653047	-1932.815022820227	-1932.815022820227	-831.7136234451939	-848.8376519527997	-847.0347587283768	-847.0816579154232	-848.0873113480664	-1932.815022820227	-831.7136234451939	-848.8376519527997	-847.0347587283768	-847.0816579154232	-848.0873113480664	-869.5933461651265	-869.6421329599024	-869.5933461651265	-869.6421329599024	-249.3186816914183	-620.2567759822902	-703.3852283081609	-786.5136806340316	-869.6421329599024	-952.7705852857729	-1035.8990376116437	-1119.0274899375145	-620.2567759822902	-703.3852283081609	-786.5136806340316	-869.6421329599024	-952.7705852857729	-1035.8990376116437	-1119.0274899375145	-800.1896780296396	-818.9295600279881	-837.6917991756944	-847.0816579154232	-856.4775322243321	-869.6421329599024	-875.2878959254781	-894.1240270307075	-912.9870622915954	-950.7983922866501	-988.730979923245	-800.1896780296396	-818.9295600279881	-837.6917991756944	-847.0816579154232	-856.4775322243321	-869.6421329599024	-875.2878959254781	-894.1240270307075	-912.9870622915954	-950.7983922866501	-857.7951474369607	-868.1985647638909	-869.6421329599024	-870.7104456579635	-871.5573590829187	-857.7951474369607	-868.1985647638909	-869.6421329599024	-870.7104456579635	-871.5573590829187	-869.6421329599024	-869.6421329599024	-869.6421329599024	-869.6421329599024	-869.6421329599024	-869.6421329599024	-869.6421329599024	-869.6421329599024	-869.6421329599024	-869.6421329599024	-848.1965327795533	-1918.5848449653047	-853.8577174345598	-871.670957218675	-870.8240584227038	-869.7557641779216	-857.9089832914382	49.134420346148886	-848.1965327795533	-1932.8147990443151	-1932.8147990443151	-843.2051794565461	-1907.6557301903492		-2.8328591522813777	-2.8328591522813777	-1907.6557301903492	0.001		-1919.86
1451. ppi 22: ppi3--species	ppi 22: ppi3--species	ppi3--species	HP2O7 3-	1501	1451	ppi3--species	1548		0	1	0	7	2	0	0	-3		0	0	0	174.94		-472.4	-1972.2	-1976.5216	-	-1972.2	-	-	-	-		-	-	-	-	-	-1973.86	-	-	-2274.8	-2274.8	-544	-2276.096	-	-	-	-	-		-2294.87	-	-	-	-	-	-	-	-	46	-	-	-	-	0.001	-17.813239784115144	-1973.86	-1973.86	A	0				ppi 22: ppi3--species	-2294.87	A	-878.9452305180565	-879.0119058042504	-879.0119058042504	-1940.3805964692708	-1940.3805964692708		-100	-1940.3805964692708	-1940.3805964692708	-7.287200336377658	-1958.3151623262365		24.57652135851538	13773.0998519338								-878.9452305180565	-878.9452305180565	-878.9452305180565	41.311213730871714	-1960.9399262116383	53.99040994054462	48.10995862879156	42.760818706016266	40.79520053131489	44.53842767749393	50.21794380300139	56.131470140521515	-1960.9399262116383	-1919.375700048703	-1926.0396294053576	-1926.0396294053576	-861.1986660201353	-879.0119058042504	40.79520053131489	40.79520053131489	40.79520053131489	40.79520053131489	40.79520053131489	-1973.86	-850.615508667104	-879.0119058042504	33.02012524566226	-1940.3814588783612							1451. ppi 22: ppi3--species	-1973.86	A	-1957.505487385967	-1951.7974778834316	-1946.0894683808963	-1940.3814588783612	-0.5470245159804137	-1934.6734493758258	-1928.9654398732905	-1923.2574303707554	-1940.3814588783612	-1934.6734493758258	-1923.2574303707554	-1928.9654398732905	-1951.7973520094813	-1946.089342506946	-1940.3813330044109	-1934.6733235018755	-1928.9653139993402	-1940.3805964692708	-1922.7289395322503	-1926.256820729102	-1941.1911338186308	-1922.728803791056	-1926.2566870123214	-1941.1911338186308	-1941.1911338186308	-840.0897344435978	-857.2137629512035	-856.1996355124656	-856.246534699512	-856.8122147553738	-1941.1911338186308	-840.0897344435978	-857.2137629512035	-856.1996355124656	-856.246534699512	-856.8122147553738	-878.9631190094746	-879.0119058042504	-878.9631190094746	-879.0119058042504	-231.5054419073033	-647.4397886107532	-724.630494341919	-801.8212000730847	-879.0119058042504	-956.2026115354157	-1033.3933172665816	-1110.5840229977473	-647.4397886107532	-724.630494341919	-801.8212000730847	-879.0119058042504	-956.2026115354157	-1033.3933172665816	-1110.5840229977473	-808.8799962383029	-827.8170997725563	-846.7667792033236	-856.246534699512	-865.7296739533646	-879.0119058042504	-884.7064234454415	-903.6976671023154	-922.7040443467469	-960.76475728933	-998.893677655279	-808.8799962383029	-827.8170997725563	-846.7667792033236	-856.246534699512	-865.7296739533646	-879.0119058042504	-884.7064234454415	-903.6976671023154	-922.7040443467469	-960.76475728933	-872.3479764475959	-878.1998986939942	-879.0119058042504	-879.6128316969099	-880.0892204984472	-872.3479764475959	-878.1998986939942	-879.0119058042504	-879.6128316969099	-880.0892204984472	-879.0119058042504	-879.0119058042504	-879.0119058042504	-879.0119058042504	-879.0119058042504	-879.0119058042504	-879.0119058042504	-879.0119058042504	-879.0119058042504	-879.0119058042504	-856.9215280640285	-1927.1168103827738	-862.389682852029	-880.2029226361441	-879.7265420634102	-879.1256265507203	-872.4618123020733	40.40942506167369	-856.9215280640285	-1946.089342506946	-1946.089342506946	-850.7717134166419	-1921.5325662200275		-1.4164295761406889	-1.593483273158275	-1921.709619917045	0.001		-1973.86
1452. ppi 23: ppi2- -species	ppi 23: ppi2- -species	ppi2- -species	H2P2O7 2-	1502	1452	ppi2- -species	1549		0	2	0	7	2	0	0	-2		0	0	0	175.94		-481.6	-2010.2	-2015.0144000000003	-	-2010.2	-	-	-	-		-	-	-	-	-	-2012.21	-	-	-2278.6	-2278.6	-544.6	-2278.6064	-	-	-	-	-		-2295.37	-	-	-	-	-	-	-	-	163	-	-	-	-	0.001	-17.813239784115144	-2012.21	-2012.21	A	0				ppi 23: ppi2- -species	-2295.37	A	-873.5522156438338	-873.6188909300278	-873.6188909300278	-1933.9155479708431	-1933.9155479708431		-100	-1933.9155479708431	-1933.9155479708431	-3.238755705056737	-1952.660651177169		19.183506484292707	1701.2658158613112								-873.5522156438338	-873.5522156438338	-873.5522156438338	46.704228605094386	-2000.8133204762703	41.570185030652056	41.627480313603996	42.21608698553371	46.18821540553756	55.86918914642138	67.48645186663407	79.3377247988592	-2000.8133204762703	-1917.6848681503996	-1920.646614531135	-1920.646614531135	-855.8056511459126	-873.6188909300278	46.18821540553756	46.18821540553756	46.18821540553756	46.18821540553756	46.18821540553756	-2012.21	-844.1513225777665	-873.6188909300278	38.41314011988493	-1933.9172727890236							1452. ppi 23: ppi2- -species	-2012.21	A	-1968.1653298042354	-1956.7493107991647	-1945.3332917940943	-1933.9172727890236	-0.548299077765602	-1922.5012537839532	-1911.0852347788828	-1899.669215773812	-1933.9172727890239	-1922.5012537839532	-1899.669215773812	-1911.0852347788828	-1956.7492548551868	-1945.3332358501164	-1933.917216845046	-1922.5011978399752	-1911.0851788349048	-1933.9155479708431	-1915.7779693014777	-1919.4051743209845	-1935.5366226695633	-1915.777908972058	-1919.4051148913043	-1935.5366226695633	-1935.5366226695633	-834.4352232945303	-851.559251802136	-851.1085284960302	-851.1554276830766	-851.4068410412374	-1935.5366226695633	-834.4352232945303	-851.559251802136	-851.1085284960302	-851.1554276830766	-851.4068410412374	-873.5701041352519	-873.6188909300278	-873.5701041352519	-873.6188909300278	-213.69220212318805	-659.8600135206458	-731.1129726571065	-802.3659317935673	-873.6188909300278	-944.8718500664883	-1016.1248092029489	-1087.3777683394096	-659.8600135206458	-731.1129726571065	-802.3659317935673	-873.6188909300278	-944.8718500664883	-1016.1248092029489	-1087.3777683394096	-804.3837983661489	-823.0882226039287	-841.7982361290482	-851.1554276830766	-860.5141231294002	-873.6188909300278	-879.2361677928793	-897.9646543073796	-916.6998668607945	-954.1916068359446	-991.7136612214789	-804.3837983661489	-823.0882226039287	-841.7982361290482	-851.1554276830766	-860.5141231294002	-873.6188909300278	-879.2361677928793	-897.9646543073796	-916.6998668607945	-954.1916068359446	-870.6571445492924	-873.257998881025	-873.6188909300278	-873.885969104543	-874.0976974607819	-870.6571445492924	-873.257998881025	-873.6188909300278	-873.885969104543	-874.0976974607819	-873.6188909300278	-873.6188909300278	-873.6188909300278	-873.6188909300278	-873.6188909300278	-873.6188909300278	-873.6188909300278	-873.6188909300278	-873.6188909300278	-873.6188909300278	-851.5162199764407	-1921.1253616322088	-856.3982341014639	-874.211473885579	-873.9997491865862	-873.7326756253907	-870.7709804037698	45.81473314926154	-851.5162199764407	-1945.3332358501164	-1945.3332358501164	-844.3075972572769	-1919.5198487348025		-0.3541073940351722	-0.7082147880703444	-1919.8739561288376	0.001		-2012.21
1453. ppi 24: ppi- -species	ppi 24: ppi- -species	ppi- -species	H3P2O7 -	1503	1453	ppi- -species	1550		0	3	0	7	2	0	0	-1		0	0	0	176.94		-484.7	-2023.2	-2027.9848	-	-	-	-	-	-		-	-	-	-	-	-2025.11	-	-	-	-2276.5	-544.1	-2276.5144	-	-	-	-	-		-2290.37	-	-	-	-	-	-	-	-	213	-	-	-	-	0.001	-17.813239784115144	-2025.11	-2025.11	A	0				ppi 24: ppi- -species	-2290.37	A	-843.3871224255162	-843.4537977117101	-843.4537977117101	-1903.6198773249437	-1903.6198773249437		-100	-1903.6198773249437	-1903.6198773249437	-0.8096889262641842	-1923.1755178806295		-10.981586734024972	0.01414315867093891								-843.3871224255162	-843.3871224255162	-843.3871224255162	76.86932182341206	-2014.4337632064394	53.922038464854495	59.91708034251167	66.44343360914661	76.35330862385524	91.97202895944429	109.52703827436176	127.31605780129212	-2014.4337632064394	-1889.7410847176334	-1890.4815213128172	-1890.4815213128172	-825.640557927595	-843.4537977117101	76.35330862385524	76.35330862385524	76.35330862385524	76.35330862385524	76.35330862385524	-2025.11	-813.8565143409573	-843.4537977117101	68.57823333820261	-1903.6224645522145							1453. ppi 24: ppi- -species	-2025.11	A	-1954.9945500750318	-1937.870521567426	-1920.7464930598203	-1903.6224645522145	-0.5569567295351789	-1886.4984360446088	-1869.374407537003	-1852.2503790293972	-1903.6224645522145	-1886.4984360446088	-1852.2503790293972	-1869.374407537003	-1937.8705075814316	-1920.7464790738259	-1903.62245056622	-1886.4984220586143	-1869.3743935510086	-1903.6198773249437	-1884.1196303425218	-1888.0208528341489	-1906.0514893730237	-1884.1196152601667	-1888.020837976729	-1906.0514893730237	-1906.0514893730237	-804.9500899979907	-822.0741185055965	-821.9614376790701	-822.0083368661165	-822.0711902056566	-1906.0514893730237	-804.9500899979907	-822.0741185055965	-821.9614376790701	-822.0083368661165	-822.0711902056566	-843.4050109169342	-843.4537977117101	-843.4050109169342	-843.4537977117101	-195.8789623390728	-647.5081600864434	-712.8233726281989	-778.1385851699544	-843.4537977117101	-908.7690102534654	-974.0842227952212	-1039.3994353369767	-647.5081600864434	-712.8233726281989	-778.1385851699544	-843.4537977117101	-908.7690102534654	-974.0842227952212	-1039.3994353369767	-777.3371065496846	-795.2045418040095	-813.0733743801694	-822.0083368661165	-830.9436753251372	-843.4537977117101	-848.815515685887	-866.6889665093921	-884.5640988426256	-920.3196922261736	-956.0828642123171	-777.3371065496846	-795.2045418040095	-813.0733743801694	-822.0083368661165	-830.9436753251372	-843.4537977117101	-848.815515685887	-866.6889665093921	-884.5640988426256	-920.3196922261736	-842.7133611165262	-843.3635746994595	-843.4537977117101	-843.520567255339	-843.5734993443986	-842.7133611165262	-843.3635746994595	-843.4537977117101	-843.520567255339	-843.5734993443986	-843.4537977117101	-843.4537977117101	-843.4537977117101	-843.4537977117101	-843.4537977117101	-843.4537977117101	-843.4537977117101	-843.4537977117101	-843.4537977117101	-843.4537977117101	-822.1806085167887	-1890.6012080880857	-825.8740805573409	-843.687320341456	-843.6343891667078	-843.567620776409	-842.8271969710037	75.15034460891354	-822.1806085167887	-1920.7464790738259	-1920.7464790738259	-814.0128309784511	-1891.6082871091496		0.3541073940351722	-0.1770536970175861	-1892.1394482002024	0.001		-2025.11
1454. ppi 25: ppi -species	ppi 25: ppi -species	ppi -species	H4P2O7	1504	1454	ppi -species	1551		0	4	0	7	2	0	0	0		0	0	0	177.94		-468.8	-	-1961.4592000000002	-	-	-	-	-	-		-	-	-	-	-	-2029.85	-	-	-	-	-542.2	-2268.5648	-	-	-	-	-		-2281.17	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-2029.85	-2029.85	A	0				ppi 25: ppi -species	-2281.17	A	-806.3835195365904	-806.4501948227843	-806.4501948227843	-1866.7835845315726	-1866.7835845315726		-100	-1866.7835845315726	-1866.7835845315726	0	-1887.1497624366184		-47.98518962295077	8.291240004998801E-9								-806.3835195365904	-806.3835195365904	-806.3835195365904	113.87292471233786	-2019.734823075633	73.11240156966505	85.04519004202723	97.50928990336718	113.35691151278104	134.91337844307486	158.40613435269756	182.13290047433304	-2019.734823075633	-1853.4779184238914	-1853.4779184238914	-1853.4779184238914	-788.6369550386692	-806.4501948227843	113.35691151278104	113.35691151278104	113.35691151278104	113.35691151278104	113.35691151278104	-2029.85	-777.0210839566766	-806.4501948227843	105.5818362271284	-1866.7870341679338							1454. ppi 25: ppi -species	-2029.85	A	-1935.283148198357	-1912.4511101882158	-1889.619072178075	-1866.7870341679338	-0.5680366829331379	-1843.9549961577927	-1821.1229581476518	-1798.2909201375107	-1866.7870341679338	-1843.9549961577927	-1798.2909201375107	-1821.1229581476518	-1912.451110188216	-1889.619072178075	-1866.7870341679338	-1843.9549961577927	-1821.1229581476518	-1866.7835845315726	-1845.8483834972412	-1850.0374249420825	-1870.0257339290126	-1845.8483834972412	-1850.0374249420825	-1870.0257339290126	-1870.0257339290126	-768.9243345539796	-786.0483630615854	-786.0483630615854	-786.0952622486318	-786.0952622486318	-1870.0257339290126	-768.9243345539796	-786.0483630615854	-786.0483630615854	-786.0952622486318	-786.0952622486318	-806.4014080280084	-806.4501948227843	-806.4014080280084	-806.4501948227843	-178.06572255495757	-628.3177969816328	-687.6952629286833	-747.0727288757338	-806.4501948227843	-865.8276607698348	-925.2051267168854	-984.5825926639358	-628.3177969816328	-687.6952629286833	-747.0727288757338	-806.4501948227843	-865.8276607698348	-925.2051267168854	-984.5825926639358	-743.6891527191475	-760.6515965309411	-777.6140403427352	-786.0952622486318	-794.5764841545289	-806.4501948227843	-811.5389279663227	-828.5013717781163	-845.46381558991	-879.3887032134983	-913.3135908370854	-743.6891527191475	-760.6515965309411	-777.6140403427352	-786.0952622486318	-794.5764841545289	-806.4501948227843	-811.5389279663227	-828.5013717781163	-845.46381558991	-879.3887032134983	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-806.4501948227843	-786.2046936850736	-1853.4779184238914	-788.7507908931466	-806.5640306772617	-806.5640306772617	-806.5640306772617	-806.5640306772617	111.12625944062859	-786.2046936850736	-1889.619072178075	-1889.619072178075	-777.1774145801649	-1855.7314500165567		0.7082147880703444	0	-1856.439664804627	0.001		-2029.85
1455. ppi 26: ppi-blend	ppi 26: ppi-blend	ppi-reactant		1505	1455	ppi-reactant	1552		0	?	0	7	2	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				ppi 26: ppi-reactant	-	A						-1940.66										-879.3055176744956					-879.3055176744956		-879.3055176744956	-879.3055176744956	40.95092657443263	-2020.012049333137	41.5368747471083	41.45095445895856	40.75286409956743	40.4782737104407	43.96392253257682	46.94220668404819	47.60709942429776	-2020.012049333137	-1920.3946661275718	-1926.3565562262318	-1926.3565562262318	-861.5155928410095	-879.3288326251246	40.4782737104407	40.4782737104407	40.4782737104407	40.4782737104407	40.4782737104407	-2030.1934067173538	-850.8985730994091	-879.3288326251246	32.70319842478807	-1940.6645233106663	1.00000233081048	-1943.6	0.001824682966327228	-1.1841579560596456	-1.185982639025973	-1943.6	1455. ppi 26: ppi-reactant	-	A	-1968.210761981337	-1957.0659006950914	-1947.4651695948066	-1940.6645233106663	-0.5469049353391336	-1935.645117762811	-1933.2912238102908	-1932.8669419493299	-1940.6645233106663	-1935.645117762811	-1932.8669419493299	-1933.2912238102908	-1957.0658364101523	-1947.4650730498715	-1940.6643979083394	-1935.6449609782248	-1933.2910171543233	-1940.6636405618867	-1922.9774288744907	-1926.5117939948168	-1941.5078179341945	-1922.9772929802093	-1926.5116602542637	-1941.5078179341945	-1941.5078179341945	-840.4064185591615	-857.5304470667672	-856.5526712497852	-856.5995704368316	-857.1426693579255	-1941.5078179341945	-840.4064185591615	-857.5304470667672	-856.5526712497852	-856.5995704368316	-857.1426693579255	-879.2800458303487	-879.3288326251246	-879.2800458303487	-879.3288326251246	-219.41219387030606	-659.8933238041895	-731.289498511752	-803.8291546795335	-879.3288326251246	-956.7771166803328	-1036.6690543855348	-1119.108393713971	-659.8933238041895	-731.289498511752	-803.8291546795335	-879.3288326251246	-956.7771166803328	-1036.6690543855348	-1119.108393713971	-809.3176122012084	-828.2193402402002	-847.1357086989466	-856.5995704368316	-866.0673172455776	-879.3288326251246	-885.0147663270163	-903.9786559730569	-922.9595847681313	-960.9749421197174	-999.0655718722003	-809.3176122012084	-828.2193402402002	-847.1357086989466	-856.5995704368316	-866.0673172455776	-879.3288326251246	-885.0147663270163	-903.9786559730569	-922.9595847681313	-960.9749421197174	-873.3669425264646	-878.5547720462704	-879.3288326251246	-879.9087927775596	-880.3728189643313	-873.3669425264646	-878.5547720462704	-879.3288326251246	-879.9087927775596	-880.3728189643313	-879.3288326251246	-879.3288326251246	-879.3288326251246	-879.3288326251246	-879.3288326251246	-879.3288326251246	-879.3288326251246	-879.3288326251246	-879.3288326251246	-879.3288326251246	-857.2519867751033	-1927.4004117892696	-862.6732842585247	-880.4865240426399	-880.0225068966687	-879.442557963106	-873.4807783809421	40.078966350598876	-857.2519867751033	-1947.4650730498715	-1947.4650730498715	-868.1788068281763						0.001		-
1456. ppi 30	ppi 30			1506	1456		1553														0																																																	0				ppi 30																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1456. ppi 30																																											0
1457. ppi 31: ppi4- -species	ppi 31: ppi4- -species	ppi4- -species	P2O7 4-	1507	1457	ppi4- -species	1554		0	0	0	7	2	0	0	-4		0	0	0	173.94		-459.6	-	-1922.9664000000002	-	-1919	-	-	-	-		-	-	-	-	-	-1919.86	-	-	-2271.1	-	-545	-2280.28	-	-	-	-	-		-2293.47	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1922.9664000000002	-1922.9664000000002	W	0				ppi 31: ppi4- -species	-2280.28	W	-873.3377583948223	-873.4044336810163	-873.4044336810163	-1935.9214228202272	-1935.9214228202272		-100	-1935.9214228202272	-1935.9214228202272	-12.955022820226947	-1953.045451327833	-843.1268532212553	30.210905173567085	122445.02359341543	4883639.528328956							-873.3377583948223	-873.3377583948223	-873.3377583948223	46.91868585410589	-1908.5851717591818	77.41112184789381	65.59292394143574	54.306037423955445	46.402672654549065	44.20815320602287	43.94992273682533	43.92570247964045	-1908.5851717591818	-1908.5851717591818	-1920.4321572821234	-1920.4321572821234	-855.5911938969011	-873.4044336810163	46.402672654549065	46.402672654549065	46.402672654549065	46.402672654549065	46.402672654549065	-1922.9664000000002	-846.1554726089701	-873.4044336810163	38.62759736889643	-1935.9214228202272							1457. ppi 31: ppi4- -species	-1922.9664000000002	W	-1935.9214228202272	-1935.9214228202272	-1935.9214228202272	-1935.9214228202272	-0.5488774760689645	-1935.9214228202272	-1935.9214228202272	-1935.9214228202272	-1935.9214228202272	-1935.9214228202272	-1935.9214228202272	-1935.9214228202272	-1935.9211990443155	-1935.9211990443155	-1935.9211990443155	-1935.9211990443155	-1935.9211990443155	-1935.9214228202272	-1918.9604302181374	-1922.3473834051397	-1935.9214228202272	-1918.9601889004587	-1922.3471456864186	-1935.9214228202272	-1935.9214228202272	-834.8200234451942	-851.9440519528	-850.1411587283771	-850.1880579154235	-851.1937113480667	-1935.9214228202272	-834.8200234451942	-851.9440519528	-850.1411587283771	-850.1880579154235	-851.1937113480667	-873.3556468862404	-873.4044336810163	-873.3556468862404	-873.4044336810163	-249.3186816914183	-624.019076703404	-707.1475290292748	-790.2759813551455	-873.4044336810163	-956.5328860068868	-1039.6613383327576	-1122.7897906586284	-624.019076703404	-707.1475290292748	-790.2759813551455	-873.4044336810163	-956.5328860068868	-1039.6613383327576	-1122.7897906586284	-801.9296181939866	-821.2160841265966	-840.5249072085641	-850.1880579154235	-859.8572241914632	-873.4044336810163	-879.2141718268704	-898.5968868663612	-918.0065060615103	-956.9110039250875	-995.9367594302047	-801.9296181939866	-821.2160841265966	-840.5249072085641	-850.1880579154235	-859.8572241914632	-873.4044336810163	-879.2141718268704	-898.5968868663612	-918.0065060615103	-956.9110039250875	-861.5574481580746	-871.9608654850048	-873.4044336810163	-874.4727463790774	-875.3196598040325	-861.5574481580746	-871.9608654850048	-873.4044336810163	-874.4727463790774	-875.3196598040325	-873.4044336810163	-873.4044336810163	-873.4044336810163	-873.4044336810163	-873.4044336810163	-873.4044336810163	-873.4044336810163	-873.4044336810163	-873.4044336810163	-873.4044336810163	-851.3029327795537	-1922.3471456864186	-857.6200181556737	-875.4332579397889	-874.5863591438177	-873.5180648990355	-861.6712840125521	46.02802034614854	-851.3029327795537	-1935.9211990443155	-1935.9211990443155	-846.3115794565465	-1911.4180309114631		-2.8328591522813777	-2.8328591522813777	-1911.4180309114631	0.001		-1922.9664000000002
1458. ppi 32: ppi3--species	ppi 32: ppi3--species	ppi3--species	HP2O7 3-	1508	1458	ppi3--species	1555		0	1	0	7	2	0	0	-3		0	0	0	174.94		-472.4	-1972.2	-1976.5216	-	-1972.2	-	-	-	-		-	-	-	-	-	-1973.86	-	-	-2274.8	-2274.8	-544	-2276.096	-	-	-	-	-		-2294.87	-	-	-	-	-	-	-	-	46	-	-	-	-	0.001	-17.813239784115144	-1976.5216	-1976.5216	W	0				ppi 32: ppi3--species	-2276.096	W	-882.4695747743036	-882.5362500604975	-882.5362500604975	-1943.042196469271	-1943.042196469271		-100	-1943.042196469271	-1943.042196469271	-7.287200336377658	-1960.9767623262367		39.342721553048364	4225395.773363069								-882.4695747743036	-882.4695747743036	-882.4695747743036	37.78686947462461	-1964.4642704678854	50.46606568429752	44.585614372544455	39.23647444976916	37.270856275067786	41.01408342124682	46.693599546754285	52.60712588427441	-1964.4642704678854	-1922.9000443049501	-1929.5639736616047	-1929.5639736616047	-864.7230102763824	-882.5362500604975	37.270856275067786	37.270856275067786	37.270856275067786	37.270856275067786	37.270856275067786	-1976.5216	-853.2771086671041	-882.5362500604975	29.495780989415152	-1943.0430588783613							1458. ppi 32: ppi3--species	-1976.5216	W	-1960.167087385967	-1954.4590778834317	-1948.7510683808964	-1943.0430588783613	-0.5458311792206412	-1937.335049375826	-1931.6270398732906	-1925.9190303707555	-1943.0430588783613	-1937.335049375826	-1925.9190303707555	-1931.6270398732906	-1954.4589520094814	-1948.750942506946	-1943.042933004411	-1937.3349235018757	-1931.6269139993403	-1943.042196469271	-1926.4689698525592	-1929.781164985349	-1943.852733818631	-1926.468834111365	-1929.7810312685685	-1943.852733818631	-1943.852733818631	-842.7513344435979	-859.8753629512037	-858.8612355124658	-858.9081346995122	-859.473814755374	-1943.852733818631	-842.7513344435979	-859.8753629512037	-858.8612355124658	-858.9081346995122	-859.473814755374	-882.4874632657217	-882.5362500604975	-882.4874632657217	-882.5362500604975	-231.5054419073033	-650.9641328670003	-728.1548385981661	-805.3455443293318	-882.5362500604975	-959.7269557916628	-1036.9176615228287	-1114.1083672539944	-650.9641328670003	-728.1548385981661	-805.3455443293318	-882.5362500604975	-959.7269557916628	-1036.9176615228287	-1114.1083672539944	-809.744212371122	-829.400269452248	-849.0689024298878	-858.9081346995122	-868.7507507268007	-882.5362500604975	-888.4464537657504	-908.1566509694966	-927.8819817608006	-967.3806017971281	-1006.9474292568219	-809.744212371122	-829.400269452248	-849.0689024298878	-858.9081346995122	-868.7507507268007	-882.5362500604975	-888.4464537657504	-908.1566509694966	-927.8819817608006	-967.3806017971281	-875.872320703843	-881.7242429502413	-882.5362500604975	-883.137175953157	-883.6135647546943	-875.872320703843	-881.7242429502413	-882.5362500604975	-883.137175953157	-883.6135647546943	-882.5362500604975	-882.5362500604975	-882.5362500604975	-882.5362500604975	-882.5362500604975	-882.5362500604975	-882.5362500604975	-882.5362500604975	-882.5362500604975	-882.5362500604975	-859.5831280640286	-1930.641154639021	-865.9140271082761	-883.7272668923912	-883.2508863196573	-882.6499708069674	-875.9861565583204	37.74782506167355	-859.5831280640286	-1948.750942506946	-1948.750942506946	-853.433313416642	-1925.0569104762747		-1.4164295761406889	-1.593483273158275	-1925.2339641732922	0.001		-1976.5216
1459. ppi 33: ppi2- -species	ppi 33: ppi2- -species	ppi2- -species	H2P2O7 2-	1509	1459	ppi2- -species	1556		0	2	0	7	2	0	0	-2		0	0	0	175.94		-481.6	-2010.2	-2015.0144000000003	-	-2010.2	-	-	-	-		-	-	-	-	-	-2012.21	-	-	-2278.6	-2278.6	-544.6	-2278.6064	-	-	-	-	-		-2295.37	-	-	-	-	-	-	-	-	163	-	-	-	-	0.001	-17.813239784115144	-2015.0144000000003	-2015.0144000000003	W	0				ppi 33: ppi2- -species	-2278.6064	W	-877.1441923669603	-877.2108676531542	-877.2108676531542	-1936.7199479708434	-1936.7199479708434		-100	-1936.7199479708431	-1936.7199479708431	-3.238755705056737	-1955.4650511771692		34.01733914570502	535794.3521759163								-877.1441923669603	-877.1441923669603	-877.1441923669603	43.11225188196795	-2004.4052971993967	37.97820830752562	38.03550359047756	38.62411026240727	42.596238682411126	52.27721242329494	63.894475143507634	75.74574807573276	-2004.4052971993967	-1921.276844873526	-1924.2385912542613	-1924.2385912542613	-859.3976278690391	-877.2108676531542	42.596238682411126	42.596238682411126	42.596238682411126	42.596238682411126	42.596238682411126	-2015.0144000000003	-846.9557225777667	-877.2108676531542	34.82116339675849	-1936.7216727890238							1459. ppi 33: ppi2- -species	-2015.0144000000003	W	-1970.9697298042354	-1959.553710799165	-1948.1376917940945	-1936.7216727890238	-0.5470984784799733	-1925.3056537839534	-1913.889634778883	-1902.4736157738123	-1936.721672789024	-1925.3056537839534	-1902.4736157738123	-1913.889634778883	-1959.553654855187	-1948.1376358501166	-1936.7216168450461	-1925.3055978399755	-1913.889578834905	-1936.7199479708434	-1919.5668402053855	-1922.997151044111	-1938.3410226695635	-1919.5667798759657	-1922.9970916144307	-1938.3410226695635	-1938.3410226695635	-837.2396232945305	-854.3636518021362	-853.9129284960304	-853.9598276830768	-854.2112410412376	-1938.3410226695635	-837.2396232945305	-854.3636518021362	-853.9129284960304	-853.9598276830768	-854.2112410412376	-877.1620808583783	-877.2108676531542	-877.1620808583783	-877.2108676531542	-213.69220212318805	-663.4519902437722	-734.704949380233	-805.9579085166937	-877.2108676531542	-948.4638267896147	-1019.7167859260753	-1090.969745062536	-663.4519902437722	-734.704949380233	-805.9579085166937	-877.2108676531542	-948.4638267896147	-1019.7167859260753	-1090.969745062536	-805.5474135263033	-824.9081517000213	-844.2744791610793	-853.9598276830768	-863.6466800973695	-877.2108676531542	-883.0250386967871	-902.4098391472259	-921.8013656365787	-960.6057334836057	-999.4404157410162	-805.5474135263033	-824.9081517000213	-844.2744791610793	-853.9598276830768	-863.6466800973695	-877.2108676531542	-883.0250386967871	-902.4098391472259	-921.8013656365787	-960.6057334836057	-874.2491212724188	-876.8499756041514	-877.2108676531542	-877.4779458276695	-877.6896741839083	-874.2491212724188	-876.8499756041514	-877.2108676531542	-877.4779458276695	-877.6896741839083	-877.2108676531542	-877.2108676531542	-877.2108676531542	-877.2108676531542	-877.2108676531542	-877.2108676531542	-877.2108676531542	-877.2108676531542	-877.2108676531542	-877.2108676531542	-854.3206199764409	-1924.7173383553352	-859.9902108245903	-877.8034506087055	-877.5917259097126	-877.3246523485171	-874.3629571268963	43.01033314926133	-854.3206199764409	-1948.1376358501166	-1948.1376358501166	-847.1119972572772	-1923.111825457929		-0.3541073940351722	-0.7082147880703444	-1923.465932851964	0.001		-2015.0144000000003
1460. ppi 34: ppi- -species	ppi 34: ppi- -species	ppi- -species	H3P2O7 -	1510	1460	ppi- -species	1557		0	3	0	7	2	0	0	-1		0	0	0	176.94		-484.7	-2023.2	-2027.9848	-	-	-	-	-	-		-	-	-	-	-	-2025.11	-	-	-	-2276.5	-544.1	-2276.5144	-	-	-	-	-		-2290.37	-	-	-	-	-	-	-	-	213	-	-	-	-	0.001	-17.813239784115144	-2027.9848	-2027.9848	W	0				ppi 34: ppi- -species	-2276.5144	W	-846.9352908642217	-847.0019661504156	-847.0019661504156	-1906.4946773249437	-1906.4946773249437		-100	-1906.4946773249437	-1906.4946773249437	-0.8096889262641842	-1926.0503178806296		3.808437642966396	4.379196555657348								-846.9352908642217	-846.9352908642217	-846.9352908642217	73.32115338470658	-2017.9819316451449	50.37387002614901	56.36891190380618	62.89526517044112	72.80514018514975	88.4238605207388	105.97886983565627	123.76788936258663	-2017.9819316451449	-1893.2892531563389	-1894.0296897515227	-1894.0296897515227	-829.1887263663004	-847.0019661504156	72.80514018514975	72.80514018514975	72.80514018514975	72.80514018514975	72.80514018514975	-2027.9848	-816.7313143409574	-847.0019661504156	65.03006489949712	-1906.4972645522146							1460. ppi 34: ppi- -species	-2027.9848	W	-1957.869350075032	-1940.7453215674261	-1923.6212930598203	-1906.4972645522146	-0.5557636999478496	-1889.3732360446088	-1872.249207537003	-1855.1251790293973	-1906.4972645522146	-1889.3732360446088	-1855.1251790293973	-1872.249207537003	-1940.7453075814317	-1923.621279073826	-1906.4972505662201	-1889.3732220586144	-1872.2491935510086	-1906.4946773249437	-1887.8361408909036	-1891.5690212728543	-1908.9262893730238	-1887.8361258085486	-1891.5690064154344	-1908.9262893730238	-1908.9262893730238	-807.8248899979908	-824.9489185055966	-824.8362376790701	-824.8831368661165	-824.9459902056567	-1908.9262893730238	-807.8248899979908	-824.9489185055966	-824.8362376790701	-824.8831368661165	-824.9459902056567	-846.9531793556397	-847.0019661504156	-846.9531793556397	-847.0019661504156	-195.8789623390728	-651.0563285251488	-716.3715410669043	-781.6867536086598	-847.0019661504156	-912.3171786921708	-977.6323912339267	-1042.9476037756822	-651.0563285251488	-716.3715410669043	-781.6867536086598	-847.0019661504156	-912.3171786921708	-977.6323912339267	-1042.9476037756822	-778.8090556357148	-797.2376312556278	-815.6676041973755	-824.8831368661165	-834.099045507931	-847.0019661504156	-852.5320262342689	-870.9666174233615	-889.4028901221831	-926.2807642369062	-963.1662169542252	-778.8090556357148	-797.2376312556278	-815.6676041973755	-824.8831368661165	-834.099045507931	-847.0019661504156	-852.5320262342689	-870.9666174233615	-889.4028901221831	-926.2807642369062	-846.2615295552317	-846.911743138165	-847.0019661504156	-847.0687356940444	-847.121667783104	-846.2615295552317	-846.911743138165	-847.0019661504156	-847.0687356940444	-847.121667783104	-847.0019661504156	-847.0019661504156	-847.0019661504156	-847.0019661504156	-847.0019661504156	-847.0019661504156	-847.0019661504156	-847.0019661504156	-847.0019661504156	-847.0019661504156	-825.0554085167887	-1894.1493765267912	-829.4222489960464	-847.2354887801615	-847.1825576054133	-847.1157892151144	-846.3753654097092	72.27554460891349	-825.0554085167887	-1923.621279073826	-1923.621279073826	-816.8876309784512	-1895.156455547855		0.3541073940351722	-0.1770536970175861	-1895.687616638908	0.001		-2027.9848
1461. ppi 35: ppi -species	ppi 35: ppi -species	ppi -species	H4P2O7	1511	1461	ppi -species	1558		0	4	0	7	2	0	0	0		0	0	0	177.94		-468.8	-	-1961.4592000000002	-	-	-	-	-	-		-	-	-	-	-	-2029.85	-	-	-	-	-542.2	-2268.5648	-	-	-	-	-		-2281.17	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1961.4592000000002	-1961.4592000000002	W	0				ppi 35: ppi -species	-2268.5648	W	-735.7474497059687	-735.8141249921626	-735.8141249921626	-1798.392784531573	-1798.392784531573		-100	-1798.392784531573	-1798.392784531573	0	-1818.7589624366187		-107.37940351528653	8.23756581265366E-19								-735.7474497059687	-735.7474497059687	-735.7474497059687	184.5089945429595	-1949.0987532450113	143.7484714002867	155.68125987264887	168.1453597339888	183.99298134340268	205.5494482736965	229.0422041833192	252.76897030495468	-1949.0987532450113	-1782.8418485932698	-1782.8418485932698	-1782.8418485932698	-718.0008852080475	-735.8141249921626	183.99298134340268	183.99298134340268	183.99298134340268	183.99298134340268	183.99298134340268	-1961.4592000000002	-708.630283956677	-735.8141249921626	176.21790605775004	-1798.3962341679342							1461. ppi 35: ppi -species	-1961.4592000000002	W	-1866.8923481983572	-1844.0603101882161	-1821.2282721780753	-1798.3962341679342	-0.5908869048280799	-1775.564196157793	-1752.7321581476522	-1729.900120137511	-1798.3962341679342	-1775.564196157793	-1729.900120137511	-1752.7321581476522	-1844.0603101882164	-1821.2282721780753	-1798.3962341679342	-1775.564196157793	-1752.7321581476522	-1798.392784531573	-1774.6509962089635	-1779.4013551114608	-1801.634933929013	-1774.6509962089635	-1779.4013551114608	-1801.634933929013	-1801.634933929013	-700.53353455398	-717.6575630615857	-717.6575630615857	-717.7044622486321	-717.7044622486321	-1801.634933929013	-700.53353455398	-717.6575630615857	-717.6575630615857	-717.7044622486321	-717.7044622486321	-735.7653381973868	-735.8141249921626	-735.7653381973868	-735.8141249921626	-178.06572255495757	-557.6817271510112	-617.0591930980617	-676.4366590451122	-735.8141249921626	-795.1915909392131	-854.5690568862638	-913.9465228333141	-557.6817271510112	-617.0591930980617	-676.4366590451122	-735.8141249921626	-795.1915909392131	-854.5690568862638	-913.9465228333141	-679.9759981996109	-695.0673838192195	-710.1587694388282	-717.7044622486321	-725.2501550584362	-735.8141249921626	-740.341540678045	-755.4329262976538	-770.524311917262	-800.7070831564802	-830.8898543956972	-679.9759981996109	-695.0673838192195	-710.1587694388282	-717.7044622486321	-725.2501550584362	-735.8141249921626	-740.341540678045	-755.4329262976538	-770.524311917262	-800.7070831564802	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-735.8141249921626	-717.8138936850739	-1782.8418485932698	-718.114721062525	-735.9279608466401	-735.9279608466401	-735.9279608466401	-735.9279608466401	179.51705944062826	-717.8138936850739	-1821.2282721780753	-1821.2282721780753	-708.7866145801652	-1785.095380185935		0.7082147880703444	0	-1785.8035949740054	0.001		-1961.4592000000002
1462. ppi 36: ppi-blend	ppi 36: ppi-blend	ppi-reactant		1512	1462	ppi-reactant	1559		0	?	0	7	2	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	W	0				ppi 36: ppi-reactant	-	W						-										-882.8429177566121					-882.8429177566121		-882.8429177566121	-882.8429177566121	37.41352649231612	-2017.9922792269817	37.945638137989704	37.8635510823342	37.19058283095251	36.94208943123647	40.38990361294134	43.24122469685926	43.85209463960609	-2017.9922792269817	-1923.9423477975781	-1929.892740505436	-1929.892740505436	-865.0517771202137	-882.8650169043289	36.94208943123647	36.94208943123647	36.94208943123647	36.94208943123647	36.94208943123647	-2027.9980067493018	-853.5901932867747	-882.8650169043289	29.167014145583835	-1943.3561434980318		-1943.6		-0.09837060467613368		-1943.6	1462. ppi 36: ppi-reactant	-	W	-1971.0136545409348	-1959.853725625175	-1950.1894980401014	-1943.3561434980318	-0.5457122356546037	-1938.4582810461231	-1936.3254347341485	-1935.964888509606	-1943.3561434980318	-1938.4582810461231	-1935.964888509606	-1936.3254347341485	-1959.8536617540985	-1950.1894024225012	-1943.3560175581217	-1938.4581203350665	-1936.325225690058	-1943.3552647324052	-1926.7279899191606	-1930.050203198055	-1944.1970966530823	-1926.7278537744705	-1930.0500691481452	-1944.1970966530823	-1944.1970966530823	-843.0956972780494	-860.2197257856552	-859.240954735592	-859.2878539226384	-859.8312834791567	-1944.1970966530823	-843.0956972780494	-860.2197257856552	-859.240954735592	-859.2878539226384	-859.8312834791567	-882.816230109553	-882.8650169043289	-882.816230109553	-882.8650169043289	-219.35835734330396	-663.4845604133081	-734.8769018883763	-807.3914359481485	-882.8650169043289	-960.3511355999683	-1040.3700363727237	-1122.8633984986627	-663.4845604133081	-734.8769018883763	-807.3914359481485	-882.8650169043289	-960.3511355999683	-1040.3700363727237	-1122.8633984986627	-810.2507859772165	-829.8525309136297	-849.4716661658947	-859.2878539226384	-869.1085100939747	-882.8650169043289	-888.7633989232	-908.4366845571232	-928.1287327743079	-967.570641331189	-1007.092283536806	-810.2507859772165	-829.8525309136297	-849.4716661658947	-859.2878539226384	-869.1085100939747	-882.8650169043289	-888.7633989232	-908.4366845571232	-928.1287327743079	-967.570641331189	-876.9146241964709	-882.0910111042772	-882.8650169043289	-883.44525583381	-883.9097159769855	-876.9146241964709	-882.0910111042772	-882.8650169043289	-883.44525583381	-883.9097159769855	-882.8650169043289	-882.8650169043289	-882.8650169043289	-882.8650169043289	-882.8650169043289	-882.8650169043289	-882.8650169043289	-882.8650169043289	-882.8650169043289	-882.8650169043289	-859.9406007695558	-1930.937308652072	-866.2101811213272	-884.0234209054423	-883.5589698642398	-882.9787422159908	-877.0284600509483	37.39035235614642	-859.9406007695558	-1950.1894024225012	-1950.1894024225012	-870.8704264779585
1463. PROPANOL-2	PROPANOL-2			1514	1463		1561														0																																																	0				PROPANOL-2																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1463. PROPANOL-2																																											0
1464. propanol-2-species (aq)	propanol-2-species (aq)	propanol2-species (aq)	C3H8O	1515	1464	propanol2-species (aq)	1562		3	8	0	1	0	0	0	0		6	18	18	60.03		-44.27	-	-185.22568	-185.94	-	-	-	-	-		-	-	-	-	-	-185.23	-	-	-	-	-79.07	-330.82887999999997	-	-	-	-	-		-330.83	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-185.23	-185.23	AW	0				propanol-2-species (aq)	-330.83	AW	287.46036970138664	287.45084466050184	287.45084466050184	140.90283093685454	140.90283093685454	140.9	-0.002009141218606292	140.90283093685457	140.90283093685457	0	117.29450363436868											287.46036970138664	287.46036970138664	287.46036970138664	597.9903768776094	-179.36986248532617	261.91536912237495	369.17376544920137	479.2888806179236	597.9486107994742	721.8185553543874	847.2395965107786	977.5837787801343	-179.36986248532617	153.14394681815662	153.14394681815662	153.14394681815662	305.26408444461697	287.45084466050184	287.45084466050184	287.45084466050184	597.9486107994742	597.9486107994742	597.9486107994742	-185.23	296.5767816943118	287.45084466050184	287.45084466050184	140.89593166413223	0.9999711260761691	141.1	0.001641148200307309	0.08232023929050972	0.0806790910902024	140.2	1464. propanol-2-species (aq)	-185.23	AW	3.9037036032860044	49.56777962356807	95.23185564385014	140.89593166413223	1.0402318669259718	186.56000768441433	232.22408370469637	277.88815972497844	140.89593166413206	186.56000768441416	277.88815972497844	232.2240837046962	49.56777962356796	95.23185564385003	140.89593166413206	186.56000768441416	232.2240837046962	140.90283093685454	164.8104625879428	160.02493378177496	134.41853214197445	164.8104625879428	160.02493378177496	134.41853214197445	134.41853214197445	291.71873205269344	274.59470354508767	274.59470354508767	274.5880036612239	274.5880036612239	134.41853214197445	291.71873205269344	274.59470354508767	274.59470354508767	274.5880036612239	274.5880036612239	287.45781420261267	287.45084466050184	287.45781420261267	287.45084466050184	106.88896374557575	180.5714059558109	216.1978855240412	251.82436509227145	287.45084466050184	323.0773242287321	358.70380379696235	394.3302833651927	180.5714059558109	216.1978855240412	251.82436509227145	287.45084466050184	323.0773242287321	358.70380379696235	394.3302833651927	247.7904182460618	258.5094524121267	269.22848657819145	274.5880036612239	279.94752074425634	287.45084466050184	290.6665549103212	301.38558907638617	312.104623242451	333.54269157458066	354.98075990671043	247.7904182460618	258.5094524121267	269.2284865781915	274.5880036612239	279.94752074425634	287.45084466050184	290.6665549103212	301.38558907638617	312.104623242451	333.54269157458066	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	287.45084466050184	274.57237059887507	153.14394681815662	305.2478221796916	287.43458239557646	287.43458239557646	287.43458239557646	287.43458239557646	274.57237059887507	274.57237059887507	95.23185564385003	95.23185564385003	296.55444874809905	148.6368836328265		1.4164295761406889	0	147.2204540566858	0.001		-185.23
1465. propanol-2-species (aq)	propanol-2-species (aq)	propanol2-species (aq)	C3H8O	1516	1465	propanol2-species (aq)	1563		3	8	0	1	0	0	0	0		6	18	18	60.03		-44.27	-	-185.22568	-185.94	-	-	-	-	-		-	-	-	-	-	-185.23	-	-	-	-	-79.07	-330.82887999999997	-	-	-	-	-		-330.83	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-185.94	-185.94	T	0				propanol-2-species (aq)	-330.83	AW	286.7217934813632	286.71226844047834	286.7018659585062	140.19283093685453	140.18283093685454		-100	140.19283093685456	140.18283093685457	0	116.57450363436868											286.7217934813632	286.7217934813632	286.7217934813632	597.2518006575859	-180.10843870534964	261.1767929023515	368.4351892291779	478.55030439790016	597.2100345794506	721.079979134364	846.5010202907552	976.8452025601108	-180.10843870534964	152.40537059813315	152.40537059813315	152.40537059813315	304.52550822459347	286.71226844047834	286.71226844047834	286.71226844047834	597.2100345794506	597.2100345794506	597.2100345794506	-185.94	295.86678169431184	286.7018659585062	286.7018659585062	140.18593166413223		141.1		0.3687310126607477		140.2	1465. propanol-2-species (aq)	-185.94	T	3.1937036032859965	48.857779623568064	94.52185564385013	140.18593166413223	1.045296486442822	185.85000768441432	231.51408370469636	277.17815972497846	140.17593166413207	185.84000768441416	277.17815972497846	231.5040837046962	48.84777962356796	94.51185564385003	140.17593166413207	185.84000768441416	231.5040837046962	140.18283093685454	164.05423921044826	159.27595507977932	133.69853214197445	164.05423921044826	159.27595507977932	133.69853214197445	133.69853214197445	290.99873205269347	273.8747035450877	273.8747035450877	273.86800366122395	273.86800366122395	133.69853214197445	290.99873205269347	273.8747035450877	273.8747035450877	273.86800366122395	273.86800366122395	286.70883550061706	286.7018659585062	286.70883550061706	286.7018659585062	106.89936622754794	179.82242725381525	215.44890682204556	251.07538639027584	286.7018659585062	322.3283455267365	357.95482509496674	393.5813046631971	179.82242725381525	215.44890682204556	251.07538639027584	286.7018659585062	322.3283455267365	357.95482509496674	393.5813046631971	247.1399520377774	257.83517268715605	268.53039333653464	273.87800366122394	279.22561398591324	286.71226844047834	289.92083463529184	300.6160552846706	311.31127593404915	332.7017172328064	354.0921585315637	247.13079054188603	257.8256757896212	268.52056103735634	273.86800366122395	279.21544628509156	286.7018659585062	289.9103315328267	300.60521678056193	311.30010202829703	332.6898725237673	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	286.7018659585062	273.85237059887504	152.39496811616098	304.4988434776959	286.6856036935808	286.6856036935808	286.6856036935808	286.6856036935808	273.85237059887504	273.85237059887504	94.51185564385003	94.51185564385003	295.834448748099
1466. propanol-2-species (aq)	propanol-2-species (aq)	propanol2-species (aq)	C3H8O	1517	1466	propanol2-species (aq)	1564		3	8	0	1	0	0	0	0		6	18	18	60.03	-184.8	-44.27	-	-185.22568	-185.94	-	-	-	-	-		-	-	-	-	-	-185.23	-	-	-	-	-79.07	-330.82887999999997	-	-	-	-	-		-330.83	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-184.8	-184.8	E	0				propanol-2-species (aq)	-330.83	E<AW	287.9076764261896																					287.9076764261896	287.9076764261896	287.9076764261896	598.4376836024123	-178.92255576052324	262.3626758471779	369.6210721740043	479.73618734272657	598.3959175242771	722.2658620791904	847.6869032355816	978.0310855049372	-178.92255576052324	153.59125354295955	153.59125354295955	153.59125354295955	305.71139116941987	287.89815138530474	287.89815138530474	287.89815138530474	598.3959175242771	598.3959175242771	598.3959175242771	-184.8	297.0067816943118			141.3259316641322							1466. propanol-2-species (aq)	-184.8	E	4.333703603285983	49.99777962356805	95.66185564385012	141.3259316641322	1.037189304440008	186.9900076844143	232.65408370469635	278.31815972497844			278.31815972497844																														287.9076764261896															248.18436256938895	258.91781900612295	269.6512754428569	275.01800366122393	280.3847318795909	287.89815138530474	291.1181883163249	301.85164475305896	312.5851011897929	334.05201406326086	355.51892693672886
1467. PROPANOL-N	PROPANOL-N			1518	1467		1565														0																																																	0				PROPANOL-N																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1467. PROPANOL-N																																											0
1468. propanoln-species	propanoln-species	propanoln-species	C3H8O	1519	1468	propanoln-species	1566		3	8	0	1	0	0	0	0		6	18	18	60.03		-	-		-175.81	-	-	-	-	-42.02	-175.81168000000002	-	-	-	-	-	-175.81	-	-	-	-	-		-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-175.81	-175.81	AW	-173.636	-41.5	-2.1740000000000066		propanoln-species	-303.38184	X	296.15476876226205	296.1452437213772	283.93467159325377	150.32283093685453	150.32283093685453	150.32	-0.001883238119515518	150.32283093685456	150.32283093685456	0	126.71450363436867											296.15476876226205	296.15476876226205	296.15476876226205	606.6847759384848	-170.67546342445078	270.60976818325037	377.8681645100768	487.9832796787991	606.6430098603496	730.5129544152628	855.933995571654	986.2781778410097	-170.67546342445078	161.838345879032	161.838345879032	161.838345879032	313.9584835054923	296.1452437213772	296.1452437213772	296.1452437213772	606.6430098603496	606.6430098603496	606.6430098603496	-175.81	305.99678169431184	296.1452437213772	296.1452437213772	150.31593166413222	0.9999729354984848	150.1	0.001641148200307309	-0.08710585199891992	-0.08874700019922724	149.2	1468. propanoln-species	-175.81	AW	13.323703603285992	58.98777962356806	104.65185564385013	150.31593166413222	0.9702154354735594	195.98000768441432	241.64408370469636	287.30815972497845	150.31593166413205	195.98000768441415	287.30815972497845	241.6440837046962	58.987779623567945	104.65185564385001	150.31593166413205	195.98000768441415	241.6440837046962	150.32283093685453	173.32346141403704	168.71933284265035	143.83853214197444	158.06024625388278	156.50876071452691	143.83853214197444	143.83853214197444	301.13873205269346	284.0147035450877	284.0147035450877	284.00800366122394	284.00800366122394	143.83853214197444	301.13873205269346	284.0147035450877	284.0147035450877	284.00800366122394	284.00800366122394	296.1522132634881	296.1452437213772	283.94164113536465	283.93467159325377	106.88896374557578	189.26580501668627	224.89228458491658	260.5187641531469	296.1452437213772	331.7717232896075	367.39820285783776	403.0246824260681	177.05523288856284	212.68171245679315	248.30819202502343	283.93467159325377	319.5611511614841	355.18763072971433	390.8141102979447	258.722086869238	268.83645358603246	278.95082030282674	284.00800366122394	289.0651870196211	296.1452437213772	299.17955373641547	309.2939204532099	319.4082871700042	339.6370206035929	359.86575403718166	284.1607788028285	284.0996687461867	284.0385586895449	284.00800366122394	283.97744863290296	283.93467159325377	283.9163385762612	283.8552285196194	283.7941184629776	283.6718983496938	296.1452437213772	296.1452437213772	296.1452437213772	296.1452437213772	296.1452437213772	283.93467159325377	283.93467159325377	283.93467159325377	283.93467159325377	283.93467159325377	296.1452437213772	296.1452437213772	296.1452437213772	296.1452437213772	296.1452437213772	283.93467159325377	283.93467159325377	283.93467159325377	283.93467159325377	283.93467159325377	283.992370598875	149.62777375090857	301.7316491124435	283.9184093283284	283.9184093283284	283.9184093283284	283.9184093283284	283.992370598875	283.992370598875	104.65185564385001	104.65185564385001	305.974448748099	157.3312826937019		1.4164295761406889	0	155.9148531175612	0.001		-175.81
1469. propanoln-species	propanoln-species	propanoln-species	C3H8O	1520	1469	propanoln-species	1567		3	8	0	1	0	0	0	0		6	18	18	60.03	-175.9	-	-		-175.81	-	-	-	-	-42.02	-175.81168000000002	-	-	-	-	-	-175.81	-	-	-	-	-		-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-175.9	-175.9	E	0				propanoln-species	-303.38184	E<X	296.0611464245126																					296.0611464245126	296.0611464245126	296.0611464245126	606.5911536007353	-170.76908576220023	270.5161458455009	377.7745421723273	487.8896573410496	606.5493875226001	730.4193320775133	855.8403732339045	986.1845555032602	-170.76908576220023	161.74472354128255	161.74472354128255	161.74472354128255	313.8648611677429	296.0516213836278	296.0516213836278	296.0516213836278	606.5493875226001	606.5493875226001	606.5493875226001	-175.9	305.9067816943118			150.22593166413222							1469. propanoln-species	-175.9	E	13.233703603285988	58.897779623568056	104.56185564385012	150.22593166413222	0.9707725766443013	195.89000768441431	241.55408370469635	287.2181597249785			287.2181597249785																														296.0611464245126															258.63963340621603	268.75098150821924	278.86232961022233	283.9180036612239	288.97367771222554	296.0516213836278	299.08502581422863	309.1963739162319	319.3077220182349	339.5304182222412	359.7531144262476
1470. PROPANOYLCoA	PROPANOYLCoA			1521	1470		1568														0																																																	0				PROPANOYLCoA																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1470. PROPANOYLCoA																																											0
1471. propanoylcoA-species	propanoylcoA-species	propanoylcoA-species	CoA-C3H5O	1522	1471	propanoylcoA-species	1569		3	5	0	1	0	0	0	0	CoA	3	15	15	57.03		-	-		-	-	-	-	-	-		-	-	-	-	-	-179.14	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-179.14	-179.14	A	0				propanoylcoA-species	-223.92499999999998	=1.25*DfG	164.80006921023278	164.79054416934792	155.77796660771787	24.693019335534103	24.693019335534103	24.69	-0.012227486210070193	24.693019335534117	24.693019335534117	0	3.5163040811282826											164.80006921023278	164.80006921023278	164.80006921023278	475.3300763864555	-177.33748448767398	192.69478798356658	282.1399445262779	374.441819910885	475.28831030832026	581.3450150791184	688.9528164513945	801.4837589366349	-177.33748448767398	30.48364632700276	30.48364632700276	30.48364632700276	182.60378395346308	164.79054416934792	164.79054416934792	164.79054416934792	475.28831030832026	475.28831030832026	475.28831030832026	-179.14	180.36955732026223	155.77796660771787	155.77796660771787	24.688707290082647	0.9999476423686774	-1763.1				-1765.4	1471. propanoylcoA-species	-179.14	A	-60.93143524794624	-32.391387735269944	-3.851340222593649	24.688707290082647	5.675119408800812	53.22875480275894	81.76880231543527	110.30884982811153	24.68870729008256	53.22875480275886	110.30884982811153	81.76880231543515	-32.39138773527003	-3.851340222593734	24.68870729008256	53.22875480275886	81.76880231543515	24.693019335534103	26.04447912249529	25.771685617634176	20.640332588734054	26.04447912249529	25.771685617634176	20.640332588734054	20.640332588734054	177.94053249945307	160.8165039918473	160.8165039918473	160.80980410798352	160.80980410798352	20.640332588734054	177.94053249945307	160.8165039918473	160.8165039918473	160.80980410798352	160.80980410798352	155.78493614982872	155.77796660771787	155.78493614982872	155.77796660771787	62.46182195486034	102.33824725537244	120.15148703948759	137.96472682360275	155.77796660771787	173.59120639183305	191.40444617594818	209.21768596006333	102.33824725537245	120.1514870394876	137.96472682360275	155.77796660771787	173.59120639183305	191.40444617594818	209.21768596006333	152.51659564680762	155.83387903127797	159.15116241574833	160.80980410798352	162.4684458002187	164.79054416934792	165.78572918468902	169.10301256915943	172.42029595362976	179.05486272257042	185.68942949151116	171.29279890020356	167.09960098331555	162.90640306642754	160.80980410798352	158.71320514953948	155.77796660771787	154.52000723265147	150.3268093157635	146.13361139887547	137.7472155650993	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	155.77796660771787	160.79417104563467	21.471068765372706	173.57494412690767	155.7617043427925	155.7617043427925	155.7617043427925	155.7617043427925	160.79417104563467	160.79417104563467	-3.851340222593734	-3.851340222593734	180.34722437404955	27.666731836171447		0.8852684850879307	0	26.781463351083516	0.001		-179.14
1472. propanoylcoA-species	propanoylcoA-species	propanoylcoA-species	CoA-C3H5O	1523	1472	propanoylcoA-species	1570		24	36	7	17	3	1	0	0		3	15	15	819.28	-3361.5	-	-		-	-	-	-	-	-		-	-	-	-	-	-179.14	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3361.5	-3361.5	E	0				propanoylcoA-species	-4201.875	=1.25*DfG	737.0267461619613																					737.0267461619613	737.0267461619613	737.0267461619613	4258.236837811987	-3327.676421264464	1918.230162977416	2657.617628220285	3420.6655485870842	4257.146561512489	5143.872638532638	6045.911929228361	6987.687364819844	-3327.676421264464	-1831.3642793987915	-1831.3642793987915	-1831.3642793987915	754.6780602510339	736.8648204669188	2116.5754799702668	2266.769436572269	4750.751565684048	2420.164371791804	4257.146561512489	-3361.5	752.6411430016478			-1893.933307511405							1472. propanoylcoA-species	-3361.5	E	-2510.398333785213	-2304.9099916939435	-2099.4216496026743	-1893.933307511405	-1.3891513725635891	-1688.4449654201355	-1482.9566233288663	-1277.4682812375968			-1277.4682812375968																														737.0267461619613															727.365212673025	729.9326742389424	732.5001358048597	733.7838665878187	735.0675973707768	736.8648204669188	737.6350589366937	740.2025205026117	742.7699820685285	747.9049052003616	753.0398283321965
1473. PROPIONATE	PROPIONATE			1524	1473		1571														0																																																	0				PROPIONATE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1473. PROPIONATE																																											0
1474. propionate- species	propionate- species	propionate- species	C3H5O2 -	1525	1474	propionate- species	1572		3	5	0	2	0	0	0	-1		2	14	14	73.03		-	-		-361.08	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-361.08	-361.08	Testimated	-359.40560000000005	-85.9	-1.6743999999999346		propionate- species	-330.83	X<-propanol	131.22927180427908	131.21022172250937	131.9506583176932	-158.05666959073008	-157.2469806644659		-100	-158.05666959073005	-157.24698066446587	-0.8096889262641842	-178.42369591887172											131.22927180427908	131.22927180427908	131.22927180427908	441.7592789805018	-362.297507965789	194.74094510495834	272.3106084582595	352.7369906534566	441.7079878614817	535.8891994428698	631.6215076257357	732.2769569215661	-362.297507965789	-154.47637715111227	-155.2168137462961	-155.2168137462961	149.02346150662453	131.21022172250937	131.21022172250937	131.21022172250937	441.7079878614817	441.7079878614817	441.7079878614817	-361.08	153.30071842417763	131.9506583176932	131.9506583176932	-158.06098163618154		-157.9		0.06493926044670188		-158.3	1474. propionate- species	-361.08	Testimated	-243.68112417421042	-215.14107666153413	-186.60102914885783	-158.06098163618154	-1.8302445704553283	-129.52093412350524	-100.98088661082892	-72.44083909815265	-157.25129270991744	-128.71124519724114	-72.44083909815265	-100.17119768456485	-214.33138773527003	-185.79134022259373	-157.25129270991744	-128.71124519724114	-100.17119768456485	-157.2469806644659	-148.40482827311095	-150.1757602988508	-161.29966741126594	-148.40482827311095	-150.1757602988508	-161.29966741126594	-161.29966741126594	153.3007324101721	136.17670390256632	136.17670390256632	136.16330413483877	136.16330413483877	-161.29966741126594	153.3007324101721	136.17670390256632	136.17670390256632	136.16330413483877	136.16330413483877	131.96459740191492	131.9506583176932	131.96459740191492	131.9506583176932	17.091853270700994	114.13741853357809	120.07516512828315	126.0129117229882	131.9506583176932	137.88840491239833	143.82615150710333	149.7638981018084	114.1374185335781	120.07516512828316	126.01291172298822	131.9506583176932	137.88840491239833	143.82615150710333	149.7638981018084	144.3263044077784	140.78335793095525	137.23901413229723	135.466296035101	133.693201964831	131.21022172250937	130.14585038158296	126.59688833557983	123.04624477984797	115.93962895130412	108.82543452016432	144.93964958722518	141.42911140627064	137.918573225316	136.16330413483877	134.40803504436144	131.9506583176932	130.89749686340684	127.38695868245232	123.87642050149773	116.85534413958834	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	131.9506583176932	136.13203801014106	-154.47637715111227	149.73137357195765	131.9181337878425	131.9181337878425	131.9181337878425	131.9181337878425	136.13203801014106	136.13203801014106	-185.79134022259373	-185.79134022259373	154.06574145801653	-157.47034533896118		0.7082147880703444	-0.1770536970175861	-158.3556138240491			-361.08
1475. propionic acid - species	propionic acid - species	propionic acid - species	C3H6O2	1526	1475	propionic acid - species	1573		3	6	0	2	0	0	0	0		1	13	13	74.03	-387.9	-	-		-361.08	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-387.9	-387.9	E	0				propionic acid - species	-330.83	X<-propanol	145.63447791306064																					145.63447791306064	145.63447791306064	145.63447791306064	456.1644850892834	-390.1969646151266	191.33291142962477	274.84032137763097	361.2044501675331	456.1131939702633	556.2321521463564	657.9022069239275	764.4954028144629	-390.1969646151266	-140.81160763751456	-140.81160763751456	-140.81160763751456	163.42866761540608	145.61542783129093	145.61542783129093	145.61542783129093	456.1131939702633	456.1131939702633	456.1131939702633	-387.9	168.05614880845835			-143.30555125190082		-157.9		-5.887334299796256		-158.3	1475. propionic acid - species	-387.9	E	-246.04972229753548	-211.80166528232394	-177.55360826711237	-143.30555125190082	-2.016251475541698	-109.05749423668925	-74.80943722147771	-40.561380206266165			-40.561380206266165																														145.63447791306064															156.97425153028252	153.90429917920378	150.83434682812495	149.2993706525856	147.76439447704615	145.61542783129093	144.69444212596738	141.62448977488862	138.55453742380988	132.41463272165203	126.27472801949455
1476. PRPP (5-phosphoribosyl-alpha-pyrophosphate)	PRPP (5-phosphoribosyl-alpha-pyrophosphate)			1527	1476		1574														0																																																	0				PRPP (5-phosphoribosyl-alpha-pyrophosphate)																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1476. PRPP (5-phosphoribosyl-alpha-pyrophosphate)																																											0
1477. prpp 11: -species 5-	prpp 11: -species 5-	prpp-species 5-	C5H8O14P3 5-	1528	1477	prpp-species 5-	1575	7540-64-9	5	8	0	14	3	0	0	-5		0	20	20	384.96000000000004		-	-		-	-	-	-	-	-		-	-	-	-	-	-3284.25	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3284.25	-3284.25	A	0				prpp 11: -species 5-	-4105.3125	=1.25*DfG	-825.1987825905977	-825.3321331629855	-990.5635602969784	-2978.35939221975	-2978.35939221975		-100	-2978.35939221975	-2978.35939221975	-20.242223156604606	-3001.9677195222357	-817.11126639317	8.087516197427703	23.017143365145593	24.234050905685674							-825.1987825905977	-825.1987825905977	-825.1987825905977	1072.7358957431657	-3251.2037145732015	718.6512322905377	826.2482099565493	939.4033527758538	1071.8748032386495	1221.593212305037	1376.8012158428805	1540.5654698870171	-3251.2037145732015	-2918.6899052697186	-2937.200820149315	-2937.200820149315	-807.5188933788704	-825.3321331629855	554.3785263403623	554.3785263403623	1071.8748032386495	1071.8748032386495	1071.8748032386495	-3284.25	-798.8343910699582	-990.5635602969784	377.4844862778906	-2978.3662914924726							1477. prpp 11: -species 5-	-3284.25	A	-3115.3585195533187	-3069.6944435330365	-3024.0303675127548	-2978.3662914924726	-0.7229357634929829	-2932.7022154721903	-2887.0381394519086	-2841.3740634316264	-2978.3662914924726	-2932.7022154721903	-2841.3740634316264	-2887.0381394519086	-3069.694093883175	-3024.0300178628927	-2978.3659418426105	-2932.7018658223283	-2887.0377898020465	-2978.35939221975	-3128.5951450630805	-3098.5438011369024	-2984.84369101463	-3128.5947680042073	-3098.5434297014003	-2984.84369101463	-2984.84369101463	-782.6408922645642	-799.76492077217	-796.9479001090092	-797.041698483102	-798.6130319716069	-2984.84369101463	-782.6408922645642	-799.76492077217	-796.9479001090092	-797.041698483102	-798.6130319716069	-990.4659867074266	-990.5635602969784	-990.4659867074266	-990.5635602969784	-190.9000179759223	-634.2987646146754	-753.0536965087764	-871.8086284028774	-990.5635602969784	-1109.3184921910795	-1228.0734240851807	-1346.8283559792815	-634.2987646146754	-753.0536965087764	-871.8086284028774	-990.5635602969784	-1109.3184921910795	-1228.0734240851807	-1346.8283559792815	-738.2736206972221	-761.7544300053794	-785.270172359407	-797.041698483102	-808.8226239336412	-825.3321331629855	-832.413560902419	-856.0447594400763	-879.7179957209504	-927.1976862096981	-974.8668417633521	-394.0414808347368	-555.2151460878874	-716.4237443869098	-797.041698483102	-877.6690519061384	-990.5635602969784	-1038.95284481991	-1200.2768993025616	-1361.6429915284298	-1684.5083939071665	-972.052645417382	-988.3079849907105	-990.5635602969784	-992.2327988876988	-993.5561011141914	-972.052645417382	-988.3079849907105	-990.5635602969784	-992.2327988876988	-993.5561011141914	-990.5635602969784	-990.5635602969784	-990.5635602969784	-990.5635602969784	-990.5635602969784	-990.5635602969784	-990.5635602969784	-990.5635602969784	-990.5635602969784	-990.5635602969784	-798.8315667117488	-3105.4244166650187	-975.970161603529	-993.7834013876442	-992.4601220189394	-990.790912261467	-972.2803171263369	547.1648629768044	-798.8315667117488	-3024.0300178628927	-3024.0300178628927	-799.1467026670725	-2927.6233108804886		-3.009912849298964	-4.426342425439652	-2929.0397404566293	0.001		-3284.25
1478. prpp 12: -species 4-	prpp 12: -species 4-	prpp-species 4-	C5H9O14P3 4-	1529	1478	prpp-species 4-	1576		5	9	0	14	3	0	0	-4		0	20	20	385.96000000000004		-	-		-	-	-	-	-	-		-	-	-	-	-	-3325.23	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3325.23	-3325.23	A	0				prpp 12: -species 4-	-4156.5375	=1.25*DfG	-817.5382842905279	-817.6716348629158	-984.964775899307	-2971.2855880162656	-2971.2855880162656		-100	-2971.2855880162656	-2971.2855880162656	-12.955022820226947	-2995.704452668111		0.4270178973579277	1.1800918661547013								-817.5382842905279	-817.5382842905279	-817.5382842905279	1080.3963940432354	-3291.7713717927218	708.4984908064929	822.0332150672095	941.1261044812186	1079.5353015387193	1235.1914571998122	1396.3372073323608	1566.0392079712024	-3291.7713717927218	-2917.693336326304	-2929.540321849245	-2929.540321849245	-799.8583950788006	-817.6716348629158	562.0390246404321	562.0390246404321	1079.5353015387193	1079.5353015387193	1079.5353015387193	-3325.23	-791.7614492755638	-984.964775899307	383.08327067556195	-2971.293349698078							1478. prpp 12: -species 4-	-3325.23	A	-3125.4096062665303	-3074.037520743713	-3022.6654352208957	-2971.293349698078	-0.7248544024192023	-2919.921264175261	-2868.5491786524435	-2817.177093129626	-2971.2933496980786	-2919.921264175261	-2817.177093129626	-2868.5491786524435	-3074.0372969678015	-3022.665211444984	-2971.293125922167	-2919.9210403993493	-2868.5489548765318	-2971.2855880162656	-3120.9390045241253	-3091.007578674582	-2978.5804241605056	-3120.9387632064463	-3091.007340955861	-2978.5804241605056	-2978.5804241605056	-776.3776254104396	-793.5016539180453	-791.6987606936225	-791.7925590677153	-792.7982125003584	-2978.5804241605056	-776.3776254104396	-793.5016539180453	-791.6987606936225	-791.7925590677153	-792.7982125003584	-984.8672023097553	-984.964775899307	-984.8672023097553	-984.964775899307	-171.02506428940933	-646.5132200011186	-759.330405300515	-872.147590599911	-984.964775899307	-1097.7819611987027	-1210.599146498099	-1323.4163317974946	-646.5132200011186	-759.330405300515	-872.147590599911	-984.964775899307	-1097.7819611987027	-1210.599146498099	-1323.4163317974946	-737.9868276179294	-759.4922102418789	-781.0199500151858	-791.7925590677153	-802.5711836894251	-817.6716348629158	-824.1470480161722	-845.748679747002	-867.3772156334902	-910.7195468797477	-954.1831357675437	-389.4594504587812	-550.3757839463899	-711.3144745833562	-791.7925590677153	-872.2766591212547	-984.964775899307	-1033.2634743116607	-1194.2760569061502	-1355.3155436562975	-1677.4797766298739	-973.1177903763656	-983.5212077032958	-984.964775899307	-986.0330885973682	-986.8800020223235	-973.1177903763656	-983.5212077032958	-984.964775899307	-986.0330885973682	-986.8800020223235	-984.964775899307	-984.964775899307	-984.964775899307	-984.964775899307	-984.964775899307	-984.964775899307	-984.964775899307	-984.964775899307	-984.964775899307	-984.964775899307	-793.0168653682874	-3098.748451289932	-969.2941962284422	-987.1074360125573	-986.2605372165864	-985.1922429718039	-973.3454620853205	552.9795643202658	-793.0168653682874	-3022.665211444984	-3022.665211444984	-792.0738867466289	-2925.5966415620815		-1.2393758791231027	-2.8328591522813777	-2927.1901248352397	0.001		-3325.23
1479. prpp 13: -species 3-	prpp 13: -species 3-	prpp-species 3-	C5H10O14P3 3-	1530	1479	prpp-species 3-	1577		5	10	0	14	3	0	0	-3		0	20	20	386.96000000000004		-	-		-	-	-	-	-	-		-	-	-	-	-	-3363.42	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3363.42	-3363.42	A	0				prpp 13: -species 3-	-4204.275	=1.25*DfG	-808.5967322983844	-808.7300828707722	-977.9445722217698	-2963.0411616653096	-2963.0411616653096		-100	-2963.0411616653096	-2963.0411616653096	-7.287200336377658	-2988.270563666516		-8.514534094785631	0.03681567438537912								-808.5967322983844	-808.5967322983844	-808.5967322983844	1089.337946035379	-3329.5771021298006	699.626803014521	819.0992738699426	944.1299098786571	1088.4768535308629	1250.0707557866608	1417.1542525139143	1592.793999747461	-3329.5771021298006	-2913.934840500447	-2920.5987698571016	-2920.5987698571016	-790.9168430866571	-808.7300828707722	570.9805766325757	570.9805766325757	1088.4768535308629	1088.4768535308629	1088.4768535308629	-3363.42	-783.5178853336984	-977.9445722217698	390.10347435309916	-2963.0497857562127							1479. prpp 13: -species 3-	-3363.42	A	-3134.2900708322704	-3077.2099758069176	-3020.129880781565	-2963.0497857562127	-0.72710659936076	-2905.96969073086	-2848.8895957055074	-2791.8095006801545	-2963.0497857562127	-2905.9696907308603	-2791.8095006801545	-2848.8895957055074	-3077.2098499329677	-3020.129754907615	-2963.0496598822624	-2905.96956485691	-2848.889469831557	-2963.0411616653096	-3112.0988190872745	-3082.289340197773	-2971.14653515891	-3112.09868334608	-3082.289206480992	-2971.14653515891	-2971.14653515891	-768.943736408844	-786.0677649164497	-785.0536374777118	-785.1474358518046	-785.7131159076664	-2971.14653515891	-768.943736408844	-786.0677649164497	-785.0536374777118	-785.1474358518046	-785.7131159076664	-977.8469986322181	-977.9445722217698	-977.8469986322181	-977.9445722217698	-151.2904761906875	-657.3062561076969	-764.1856948123879	-871.0651335170788	-977.9445722217698	-1084.8240109264605	-1191.7034496311517	-1298.5828883358424	-657.3062561076969	-764.1856948123879	-871.0651335170788	-977.9445722217698	-1084.8240109264605	-1191.7034496311517	-1298.5828883358424	-736.0782392359505	-755.6964060320618	-775.3271487246867	-785.1474358518046	-794.971106736586	-808.7300828707722	-814.6289194905205	-834.3012264092528	-853.988666915542	-893.4115063818413	-932.9025532715059	-383.54805308803856	-544.1782943433147	-704.8211114951042	-785.1474358518046	-865.4771439661685	-977.9445722217698	-1026.1470311792675	-1186.8314125571646	-1347.5309275226186	-1668.9779159072482	-971.2806428651153	-977.1325651115136	-977.9445722217698	-978.5454981144295	-979.0218869159668	-971.2806428651153	-977.1325651115136	-977.9445722217698	-978.5454981144295	-979.0218869159668	-977.9445722217698	-977.9445722217698	-977.9445722217698	-977.9445722217698	-977.9445722217698	-977.9445722217698	-977.9445722217698	-977.9445722217698	-977.9445722217698	-977.9445722217698	-785.9318606527629	-3090.890440185515	-961.4361851240255	-979.2494249081407	-978.7730443354072	-978.1721288227169	-971.5083145740701	560.0645690357903	-785.9318606527629	-3020.129754907615	-3020.129754907615	-783.8304207067245	-2921.162152755268		0.1770536970175861	-1.593483273158275	-2922.9326897254437	0.001		-3363.42
1480. prpp 14: -blend	prpp 14: -blend	prpp-reactant		1531	1480	prpp-reactant	1578		5	?	0	14	3	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				prpp 14: -reactant								-2978.51										-825.3316372542685					-825.3316372542685		-825.3316372542685	-825.3316372542685	1072.6030410794951	-3329.5771027199903	699.5574449854877	818.3331849259582	938.1654503495477	1071.7615944077827	1221.5829290348054	1376.8002788696563	1540.5653844856915	-3329.5771027199903	-2920.168734026851	-2937.314028980182	-2937.314028980182	-807.6321022097372	-825.4453419938524	554.2653175094955	554.2653175094955	1071.7615944077827	1071.7615944077827	1071.7615944077827	-3363.420000505441	-798.9782132863544	-990.823737596407	377.224308978462	-2978.5101137088686	1.0000000381764267	-2984.4	4.586964076179061E-5	-2.3759533629657827	-2.3759992326065444	-2983.9	1480. prpp 14: -reactant	-	A	-3134.359233835483	-3077.9100867825155	-3025.465235062833	-2978.5101137088686	-0.7229045375889095	-2932.7165191747313	-2887.0395689188585	-2841.3742063691657	-2978.5101137088686	-2932.7165191747313	-2841.3742063691657	-2887.0395689188585	-3077.909932243574	-3025.464952106643	-2978.5097713457794	-2932.7161702511135	-2887.0392193415814	-2978.503164146897	-3128.7086708098036	-3098.6629817021008	-2985.043448311706	-3128.708299957189	-3098.662616684138	-2985.043448311706	-2985.043448311706	-782.84064956164	-799.9646780692458	-797.2477554368284	-797.3415538109211	-798.8521817191497	-2985.043448311706	-782.84064956164	-799.9646780692458	-797.2477554368284	-797.3415538109211	-798.8521817191497	-990.7261640068552	-990.823737596407	-990.7261640068552	-990.823737596407	-167.99348416867122	-657.3381530855972	-764.5370459201854	-874.4372072130768	-990.823737596407	-1109.3421192826488	-1228.0755765294916	-1346.828552162567	-657.3381530855972	-764.5370459201854	-874.4372072130768	-990.823737596407	-1109.3421192826488	-1228.0755765294916	-1346.828552162567	-740.3418284622923	-762.7401879918364	-785.718347804586	-797.3415538109211	-809.0227053208358	-825.4453419938524	-832.5021729917203	-856.083782231629	-879.7350846745946	-927.2009039058853	-974.8674315161653	-394.4349254136382	-555.5693955036181	-716.7411408865947	-797.3415538109211	-877.9519588908862	-990.823737596407	-1039.2036374336635	-1200.4979522670885	-1361.836664772549	-1684.6542476049606	-974.9890534697939	-988.667407964442	-990.823737596407	-992.4373353931597	-993.7250119689755	-974.9890534697939	-988.667407964442	-990.823737596407	-992.4373353931597	-993.7250119689755	-990.823737596407	-990.823737596407	-990.823737596407	-990.823737596407	-990.823737596407	-990.823737596407	-990.823737596407	-990.823737596407	-990.823737596407	-990.823737596407	-799.0707277816341	-3105.5933366039076	-976.1390815424181	-993.9523213265333	-992.6646688224312	-991.0511015260469	-975.2167251787488	546.9257019069191	-799.0707277816341	-3025.464952106643	-3025.464952106643	-816.4145606778475						0.001		-
1481. prpp 15: acid?	prpp 15: acid?	prpp acid?	C5H13O14P3	1532	1481	prpp acid?	1579		5	13	0	14	3	0	0	0		0	20	20	389.96000000000004	-3400.6	-	-		-	-	-	-	-	-		-	-	-	-	-	-3363.42	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3400.6	-3400.6	E	0				prpp 15: acid?	-4250.75	=1.25*DfG	-714.0460174597994																					-714.0460174597994	-714.0460174597994	-714.0460174597994	1183.888660873964	-3366.382995136676	740.7377985007605	878.0235091402972	1020.8673849331271	1183.0275683694479	1362.4347104093608	1547.3314469207294	1740.7844339383917	-3366.382995136676	-2826.0480550185166	-2826.0480550185166	-2826.0480550185166	-696.3661282480721	-714.1793680321872	665.5312914711607	665.5312914711607	1183.0275683694479	1183.0275683694479	1183.0275683694479	-3400.6	-691.1134606232708			-2870.645361045785							1481. prpp 15: acid?	-3400.6	E	-3093.25773164466	-3019.0536081117016	-2944.8494845787436	-2870.645361045785	-0.7512594111591444	-2796.441237512827	-2722.2371139798684	-2648.03299044691			-2648.03299044691																														-714.0460174597994															-658.7003204191268	-673.6946576118455	-688.6889948045651	-696.186163400924	-703.6833319972833	-714.1793680321872	-718.6776691900029	-733.6720063827216	-748.6663435754407	-778.6550179608803	-808.643692346318
1482. PYRIDINE	PYRIDINE			1533	1482		1580														0																																																	0				PYRIDINE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1482. PYRIDINE																																											0
1483. pyridine (aq?)	pyridine (aq?)	pyridine (aq?)	C5H5N	1534	1483	pyridine (aq?)	1582	110-86-1	5	5	1	0	0	0	0	0		2	22	30	79.06	123.3	-	-		177.1	-	-	-	-	-		-	-	-	-	-	-	-	-	100.2	-	-		-	-	-	-	-		-	23.94	100.16496000000001	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	123.3	123.3	E	116.3152	27.8	6.984799999999993		pyridine (aq?)	154.125	=1.25*DfG	312.0672403513733																					312.0672403513733	312.0672403513733	312.0672403513733	759.1071816342528	122.05934932081168	288.05931277913396	437.1345736836528	590.971032657998	759.0485166537235	935.8096912717205	1115.1560268921805	1302.7075977009147	122.05934932081168	329.8804801354884	329.8804801354884	329.8804801354884	329.8804801354884	312.0672403513733	312.0672403513733	312.0672403513733	829.5635172496604	496.62248955076853	759.0485166537235	123.3	327.1287072900826			327.1287072900826		356.2		11.727227363267469		355.6	1483. pyridine (aq?)	123.3	E	241.50856475205376	270.04861226473	298.58865977740635	327.1287072900826	-0.04604141001099455	355.66875480275894	384.20880231543526	412.74884982811153			412.74884982811153																														312.0672403513733															293.22518685145127	298.31763374332206	303.4100806351929	305.9563040811283	308.50252752706365	312.0672403513733	313.5949744189345	318.68742131080535	323.7798682026761	333.9647619864177	344.14965577015937
1484. pyridine (l)	pyridine (l)	pyridine (l)	C5H5N	1535	1484	pyridine (l)	1581	110-86-1	5	5	1	0	0	0	0	0		2	22	30	79.06		-	-		177.1	-	-	-	-	-		-	-	-	-	-	-	-	-	100.2	-	-		-	-	-	-	-		-	23.94	100.16496000000001	-	-	-	-	-	-	-	-	-	-	-	1	0	177.1	177.1	T	0				pyridine (l)	0	XX	392.0490865416598	392.0490865416598	374.23584675754466	380.9330193355341	380.9330193355341		-100	380.9330193355341	380.9330193355341	0	359.7563040811283											392.0490865416598	392.0490865416598	392.0490865416598	839.0890278245392	184.22795572698305	368.0411589694205	517.1164198739393	670.9528788482845	839.0303628440099	1015.791537462007	1195.137873082467	1382.689443891201	184.22795572698305	392.0490865416598	392.0490865416598	392.0490865416598	392.0490865416598	374.23584675754466	374.23584675754466	374.23584675754466	891.7321236558319	558.7910959569399	821.2171230598949	177.1	380.9287072900826	374.23584675754466	374.23584675754466	380.9287072900826							1484. pyridine (l)	177.1	T	295.3085647520537	323.84861226473004	352.38865977740636	380.9287072900826	0.029192809674774223	409.4687548027589	438.0088023154352	466.54884982811154	380.92870729008257	409.46875480275884	466.54884982811154	438.0088023154351	323.8486122647299	352.38865977740625	380.92870729008257	409.46875480275884	438.0088023154351	380.9330193355341	400.20700134285414	396.34970339392123	376.88033258873406	400.20700134285414	396.34970339392123	376.88033258873406	376.88033258873406	376.88033258873406	359.7563040811283	359.7563040811283	359.7563040811283	359.7563040811283	376.88033258873406	376.88033258873406	359.7563040811283	359.7563040811283	359.7563040811283	359.7563040811283	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	106.87943870469087	285.1696478369689	314.85838081049417	344.5471137840194	374.23584675754466	403.9245797310699	433.61331270459516	463.3020456781204	285.1696478369689	314.85838081049417	344.5471137840194	374.23584675754466	403.9245797310699	433.61331270459516	463.3020456781204	329.59059017192754	341.6568757356078	353.7231612992881	359.7563040811283	365.7894468629684	374.23584675754466	377.85573242664873	389.9220179903291	401.98830355400935	426.12087468136997	450.2534458087306	329.59059017192754	341.6568757356078	353.72316129928817	359.7563040811283	365.7894468629684	374.23584675754466	377.85573242664873	389.9220179903291	401.98830355400935	426.12087468136997	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	359.7563040811283	392.0490865416598	392.0490865416598	374.23584675754466	374.23584675754466	374.23584675754466	374.23584675754466	359.7563040811283	359.7563040811283	352.38865977740625	352.38865977740625	380.92870729008257	389.23217205082847		0.8852684850879307	0	388.34690356574055			177.1
1485. PYROCATECHOL	PYROCATECHOL			1536	1485		1583														0																																																	0				PYROCATECHOL																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1485. PYROCATECHOL																																											0
1486. pyrocatechol (cr)	pyrocatechol (cr)	pyrocatechol (cr)	C6H6O2	1537	1486	pyrocatechol (cr)	1584	120-80-9	6	6	0	2	0	0	0	0		2	26	26	110.06		-	-		-210	-	-	-	-	-		-	-	-	-	-	-	-	-	-354.1	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	1	0	-210	-210	T	0				pyrocatechol (cr)	-262.5	=1.25*DfG	345.7577126661511	345.7386625843814	335.1735108151378	34.59962320264091	34.59962320264091		-100	34.5996232026409	34.5996232026409	0	29.73639910648086											345.7577126661511	345.7577126661511	345.7577126661511	966.8177270185965	-207.88696964615127	472.80010934927935	627.9394360558817	788.7922004462757	966.7341948623261	1155.096618025102	1346.5612343908342	1547.8721329824948	-207.88696964615127	41.498387331460776	41.498387331460776	41.498387331460776	345.7386625843814	345.7386625843814	345.7386625843814	345.7386625843814	966.7341948623261	966.7341948623261	966.7341948623261	-210	345.95614880845835	335.1735108151378	335.1735108151378	34.594448748099154							1486. pyrocatechol (cr)	-210	T	-68.1497222975355	-33.90166528232396	0.3463917328876107	34.594448748099154	8.994601017747083	68.84250576331073	103.09056277852227	137.3386197937338	34.59444874809907	68.84250576331061	137.3386197937338	103.09056277852216	-33.901665282324046	0.34639173288749703	34.59444874809907	68.84250576331061	103.09056277852216	34.59962320264091	36.47131625170675	36.093975784930876	29.73639910648086	36.47131625170675	36.093975784930876	29.73639910648086	29.73639910648086	344.3367989279189	344.3367989279189	344.3367989279189	344.32339916019134	344.32339916019134	29.73639910648086	344.3367989279189	344.3367989279189	344.3367989279189	344.32339916019134	344.32339916019134	335.1874498993594	335.1735108151378	335.1874498993594	335.1735108151378	46.2106814192436	299.5470312469075	311.42252443631764	323.2980176257277	335.1735108151378	347.0490040045479	358.924497193958	370.79999038336814	299.5470312469075	311.42252443631764	323.2980176257277	335.1735108151378	347.0490040045479	358.924497193958	370.79999038336814	341.3749336931284	342.5543198799536	343.7337060667787	344.32339916019134	344.91309225360385	345.7386625843814	346.092478440429	347.2718646272542	348.45125081407934	350.8100231877294	353.16879556137985	363.3856665457194	355.7607595915082	348.1358526372969	344.32339916019134	340.51094568308565	335.1735108151378	332.88603872887444	325.2611317746632	317.636224820452	302.38641091202925	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	335.1735108151378	344.29213303549363	30.933235562217106	335.140986285287	335.140986285287	335.140986285287	335.140986285287	335.140986285287	344.29213303549363	344.29213303549363	0.34639173288749703	0.34639173288749703	345.91148291603304	38.118089942463214		1.0623221821055167	0	37.055767760357696			-210
1487. PYRUVATE	PYRUVATE			1538	1487		1585														0																																																	0				PYRUVATE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1487. PYRUVATE																																											0
1488. pyruvate 11: - -species	pyruvate 11: - -species	pyruvate- -species	C3H3O3 -	1539	1488	pyruvate- -species	1586		3	3	0	3	0	0	0	-1		-2	10	10	87.03		-112.9	-	-472.37360000000007	-474.63	-	-	-	-473.13	-113.32	-474.13088	-	-	-	-	-	-472.27	-	-	-	-	-142.5	-596.22	-	-	-	-	-	-	-596.22	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-472.27	-472.27	AWT	0				pyruvate 11: - -species	-596.22	A	95.24675415648639	95.21817903383189	95.2181790338319	-350.7798773249437	-350.7798773249437	-350.78	3.497209053460182E-5	-350.7798773249437	-350.7798773249437	-0.8096889262641842	-370.33551788062954											95.24675415648639	95.24675415648639	95.24675415648639	405.77676133270916	-467.28123595505616	230.00186155274136	283.8205385272224	340.4959343435993	405.71594517280425	476.1461703753721	548.1274921794178	625.031955096428	-467.28123595505616	-342.5885574662501	-343.32899406143395	-343.32899406143395	113.03141881794704	95.21817903383189	95.21817903383189	95.21817903383189	405.71594517280425	405.71594517280425	405.71594517280425	-472.27	116.26008553832412	95.21817903383189	95.21817903383189	-350.7824645522146	1.0000070259199916	-346.7	9.94189163104708E-4	1.6468476474033207	1.645853458240216	-346.9	1488. pyruvate 11: - -species	-472.27	AWT	-402.1545500750319	-385.03052156742615	-367.9064930598204	-350.7824645522146	-1.2715265550063115	-333.6584360446088	-316.534407537003	-299.41037902939723	-350.78246455221466	-333.6584360446089	-299.41037902939723	-316.5344075370031	-385.0305075814317	-367.90647907382595	-350.7824505662202	-333.6584220586144	-316.53439355100863	-350.7798773249437	-338.38897127829256	-340.86832558276564	-353.21148937302377	-338.3889561959376	-340.86831072534557	-353.21148937302377	-353.21148937302377	118.68911035913328	101.56508185152751	101.67776267805397	101.65766302646267	101.59480968692247	-353.21148937302377	118.68911035913328	101.56508185152751	101.67776267805397	101.65766302646267	101.59480968692247	95.23908766016442	95.21817903383189	95.23908766016443	95.2181790338319	-53.411144229690876	148.65789838617727	130.8446586020622	113.03141881794707	95.21817903383189	77.40493924971676	59.59169946560153	41.77845968148646	148.65789838617727	130.8446586020622	113.03141881794708	95.2181790338319	77.40493924971678	59.591699465601536	41.77845968148647	115.066441565888	109.70398702236564	104.34013515700835	101.65766302646267	98.97481492284301	95.21817903383189	93.60795527289565	88.23948516019333	82.86933353776217	72.12370157581972	61.37049101128153	115.066441565888	109.70398702236565	104.34013515700835	101.65766302646267	98.97481492284301	95.2181790338319	93.60795527289565	88.23948516019333	82.86933353776217	72.12370157581972	95.95861562901572	95.30840204608259	95.21817903383189	95.15140949020306	95.09847740114336	95.95861562901574	95.3084020460826	95.2181790338319	95.15140949020308	95.09847740114337	95.21817903383189	95.21817903383189	95.21817903383189	95.21817903383189	95.21817903383189	95.2181790338319	95.2181790338319	95.2181790338319	95.2181790338319	95.2181790338319	101.54792362518549	-343.4486808367024	112.86294524790247	95.04970546378733	95.10263663853554	95.16940502883442	95.90982883423963	101.54792362518549	101.54792362518549	-367.90647907382595	-367.90647907382595	116.19310068568075	-344.4557598577665		0.3541073940351722	-0.1770536970175861	-344.98692094881926	0.001		-472.27
1489. pyruvate 20	pyruvate 20			1540	1489		1587														0																																																	0				pyruvate 20																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1489. pyruvate 20																																											0
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1491. pyruvate 22: pyruvic acid (aq)	pyruvate 22: pyruvic acid (aq)	pyruvic acid (aq)	C3H4O3	1542	1491	pyruvic acid (aq)	1589		3	4	0	3	0	0	0	0		-2	10	10	88.03		-116.3	-	-486.5992	-	-	-	-	-487.34	-		-	-	-	-	-	-	-	-603.7	-	-	-145.2	-607.5168	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-487.34	-487.34	M	0				pyruvate 22: pyruvic acid (aq)	-607.5168	WA	122.32955241686952	122.30097729421502	122.30097729421503	-324.27358453157274	-324.27358453157274		-100	-324.2735845315727	-324.2735845315727	0	-344.6397624366185		-13.988705854994521	0.004406616734153537								122.32955241686952	122.32955241686952	122.32955241686952	432.8595595930923	-482.5031004527922	239.27142002900942	299.02784359819543	361.6409860092774	432.7987434331874	509.16671523046034	587.085783629211	669.9279931409263	-482.5031004527922	-316.2461958010508	-316.2461958010508	-316.2461958010508	140.11421707833017	122.30097729421502	122.30097729421502	122.30097729421502	432.7987434331874	432.7987434331874	432.7987434331874	-487.34	142.7655159226049	122.30097729421502	122.30097729421502	-324.27703416793383							1491. pyruvate 22: pyruvic acid (aq)	-487.34	M	-392.773148198357	-369.94111018821593	-347.10907217807494	-324.27703416793383	-1.377237792157426	-301.44499615779284	-278.6129581476518	-255.78092013751075	-324.27703416793395	-301.4449961577929	-255.78092013751075	-278.61295814765185	-369.941110188216	-347.10907217807494	-324.27703416793395	-301.4449961577929	-278.61295814765185	-324.27358453157274	-309.93623021869	-312.8057023192416	-327.51573392901275	-309.93623021869	-312.8057023192416	-327.51573392901275	-327.51573392901275	144.3848658031443	127.26083729553852	127.26083729553852	127.24073764394723	127.24073764394723	-327.51573392901275	144.3848658031443	127.26083729553852	127.26083729553852	127.24073764394723	127.24073764394723	122.32188592054754	122.30097729421502	122.32188592054756	122.30097729421503	-35.59790444557581	157.92745686244533	146.05196367303526	134.1764704836252	122.30097729421502	110.42548410480501	98.54999091539477	86.67449772598476	157.92745686244533	146.05196367303526	134.1764704836252	122.30097729421503	110.42548410480502	98.54999091539479	86.67449772598478	137.5319050392223	133.41543808111237	129.29897112300213	127.24073764394723	125.18250416489214	122.30097729421502	121.06603720678197	116.94957024867198	112.83310329056192	104.60016937434142	96.36723545812137	137.5319050392223	133.41543808111237	129.29897112300213	127.24073764394723	125.18250416489214	122.30097729421503	121.06603720678197	116.94957024867198	112.83310329056192	104.60016937434142	122.30097729421502	122.30097729421502	122.30097729421502	122.30097729421502	122.30097729421502	122.30097729421503	122.30097729421503	122.30097729421503	122.30097729421503	122.30097729421503	122.30097729421502	122.30097729421502	122.30097729421502	122.30097729421502	122.30097729421502	122.30097729421503	122.30097729421503	122.30097729421503	122.30097729421503	122.30097729421503	127.19383845690061	-316.2461958010508	140.06543028355406	122.25219049943892	122.25219049943892	122.25219049943892	122.25219049943892	127.19383845690061	127.19383845690061	-347.10907217807494	-347.10907217807494	142.69851708396698	-318.49972739371583		0.7082147880703444	0	-319.20794218178617			-487.34
1492. pyruvate 23: blend	pyruvate 23: blend	pyruvate reactant		1543	1492	pyruvate reactant	1590		3	?	0	3	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	-	0				pyruvate 23: reactant	-	-																94.35209063287729					94.35209063287729		94.35209063287729	94.35209063287729	404.88209780910006	-482.5107488963136	229.06650916966728	282.9221839099875	339.6009796564297	404.8213006177975	475.2515540905245	547.2328784713824	624.1373416232665	-482.5107488963136	-343.48321284864346	-344.22363861644067	-344.22363861644067	112.1367742629403	94.32353447882515	94.32353447882515	94.32353447882515	404.8213006177975	404.8213006177975	404.8213006177975	-487.3480182971021	115.40004572306661	94.32353447882515	94.32353447882515	-351.6425043674721		-346.7	141.85098820525894	1.9937838003851416	-139.8572044048738	-346.9	1492. pyruvate 23: reactant	-	-	-403.054049287871	-385.89449993109554	-368.76689118362145	-351.6425043674721	-1.2683182193876024	-334.5184400261633	-317.39440793515877	-300.2703790692128	-351.64250436747216	-334.51844002616343	-300.2703790692128	-317.3944079351589	-385.8944859675286	-368.766877199873	-351.6424903817023	-334.5184260401914	-317.3943939491666	-351.6399171263523	-339.2922559271173	-341.76295998211833	-354.0715445676878	-339.2922408448709	-341.76294512482383	-354.0715445676878	-354.0715445676878	117.82905516446925	100.70502665686348	100.81770491665596	100.79760526506466	100.73475337162351	-354.0715445676878	117.82905516446925	100.70502665686348	100.81770491665596	100.79760526506466	100.73475337162351	94.34444310515768	94.32353447882515	94.3444431051577	94.32353447882517	-53.3704553702259	147.7225460031032	129.9463039848273	112.13646413077751	94.32353447882515	76.51032296486919	58.6970857575661	40.88384620832496	147.7225460031032	129.9463039848273	112.13646413077753	94.32353447882517	76.5103229648692	58.69708575756611	40.88384620832497	114.27834377801227	108.88712877792773	103.49448269255316	100.79760526506466	98.10034801626053	94.32353447882515	92.7046618184889	87.30735791481425	81.90836817001068	71.10505323970044	60.29415576400335	114.27834377801227	108.88712877792774	103.49448269255316	100.79760526506466	98.10034801626053	94.32353447882517	92.7046618184889	87.30735791481425	81.90836817001068	71.10505323970044	95.06396024662236	94.41375633813118	94.32353447882515	94.25676576181827	94.20383431243064	95.06396024662237	94.41375633813121	94.32353447882517	94.25676576181829	94.20383431243064	94.32353447882515	94.32353447882515	94.32353447882515	94.32353447882515	94.32353447882515	94.32353447882517	94.32353447882517	94.32353447882517	94.32353447882517	94.32353447882517	100.68786730958836	-344.34332392559276	111.96830215901211	94.15506237489697	94.20799290998043	94.2747604736672	95.01517345184627	100.68786730958836	100.68786730958836	-368.766877199873	-368.766877199873	98.20903236259284
1493. pyruvate 24: - -species	pyruvate 24: - -species	pyruvate- -species	C3H3O3 -	1544	1493	pyruvate- -species	1591		3	3	0	3	0	0	0	-1		-2	10	10	87.03		-112.9	-	-472.37360000000007	-474.63	-	-	-	-473.13	-113.32	-474.13088	-	-	-	-	-	-472.27	-	-	-	-	-142.5	-596.22	-	-	-	-	-	-	-596.22	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-472.37360000000007	-472.37360000000007	W	0				pyruvate 24: - -species	-596.22	WA	95.13898444325466	95.11040932060016	95.11040932060017	-350.8834773249438	-350.8834773249438		-100	-350.8834773249438	-350.8834773249438	-0.8096889262641842	-370.43911788062957	109.11957636231094	13.98059191905628	226.218552822179	226.22297332610108							95.13898444325466	95.13898444325466	95.13898444325466	405.6689916194774	-467.38900566828784	229.89409183950974	283.7127688139907	340.38816463036756	405.6081754595725	476.03840066214036	548.0197224661862	624.9241853831963	-467.38900566828784	-342.69632717948184	-343.4367637746657	-343.4367637746657	112.92364910471531	95.11040932060016	95.11040932060016	95.11040932060016	405.6081754595725	405.6081754595725	405.6081754595725	-472.37360000000007	116.15648553832403	95.11040932060016	95.11040932060016	-350.8860645522147							1493. pyruvate 24: - -species	-472.37360000000007	W	-402.258150075032	-385.13412156742623	-368.01009305982046	-350.8860645522147	-1.2711392501855747	-333.7620360446089	-316.63800753700315	-299.5139790293974	-350.8860645522147	-333.7620360446089	-299.5139790293974	-316.63800753700315	-385.1341075814318	-368.01007907382603	-350.8860505662202	-333.76202205861443	-316.63799355100866	-350.8834773249438	-338.49778341983216	-340.9760952959973	-353.3150893730238	-338.4977683374772	-340.97608043857724	-353.3150893730238	-353.3150893730238	118.58551035913325	101.46148185152748	101.57416267805394	101.55406302646264	101.49120968692245	-353.3150893730238	118.58551035913325	101.46148185152748	101.57416267805394	101.55406302646264	101.49120968692245	95.13131794693268	95.11040932060016	95.1313179469327	95.11040932060017	-53.41114422969099	148.55012867294565	130.73688888883052	112.9236491047154	95.11040932060016	77.29716953648509	59.48392975236991	41.670689968254784	148.55012867294565	130.73688888883052	112.92364910471541	95.11040932060017	77.2971695364851	59.48392975236992	41.67068996825479	114.97152846845381	109.60559916390507	104.23827253752151	101.55406302646264	98.86947754232973	95.11040932060016	93.49914313135605	88.12719825762734	82.75357187416992	72.00099039017482	61.24083030358386	114.97152846845381	109.60559916390508	104.23827253752151	101.55406302646264	98.86947754232973	95.11040932060017	93.49914313135605	88.12719825762734	82.75357187416992	72.00099039017482	95.85084591578399	95.20063233285086	95.11040932060016	95.04363977697133	94.99070768791162	95.850845915784	95.20063233285087	95.11040932060017	95.04363977697135	94.99070768791164	95.11040932060016	95.11040932060016	95.11040932060016	95.11040932060016	95.11040932060016	95.11040932060017	95.11040932060017	95.11040932060017	95.11040932060017	95.11040932060017	101.44432362518546	-343.55645054993414	112.75517553467074	94.9419357505556	94.99486692530381	95.06163531560269	95.8020591210079	101.44432362518546	101.44432362518546	-368.01007907382603	-368.01007907382603	116.08950068568072	-344.5635295709982		0.3541073940351722	-0.1770536970175861	-345.09469066205094	0.001		-472.37360000000007
1494. pyruvate 25: pyruvic acid (aq)	pyruvate 25: pyruvic acid (aq)	pyruvic acid (aq)	C3H4O3	1545	1494	pyruvic acid (aq)	1592		3	4	0	3	0	0	0	0		-2	10	10	88.03		-116.3	-	-486.5992	-	-	-	-	-487.34	-		-	-	-	-	-	-	-	-603.7	-	-	-145.2	-607.5168	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-486.5992	-486.5992	W	0				pyruvate 25: pyruvic acid (aq)	-607.5168	WA	123.10016828136722	123.07159315871272	123.07159315871273	-323.5327845315727	-323.5327845315727		-100	-323.5327845315727	-323.5327845315727	0	-343.89896243661855		-13.98059191905628	0.00442050392209015								123.10016828136722	123.10016828136722	123.10016828136722	433.63017545759	-481.7324845882945	240.04203589350712	299.79845946269313	362.4116018737751	433.5693592976851	509.93733109495804	587.8563994937088	670.698609005424	-481.7324845882945	-315.4755799365531	-315.4755799365531	-315.4755799365531	140.88483294282787	123.07159315871272	123.07159315871272	123.07159315871272	433.5693592976851	433.5693592976851	433.5693592976851	-486.5992	143.5063159226048	123.07159315871272	123.07159315871272	-323.5362341679339							1494. pyruvate 25: pyruvic acid (aq)	-486.5992	W	-392.032348198357	-369.20031018821595	-346.3682721780749	-323.5362341679339	-1.380483405816831	-300.7041961577928	-277.8721581476518	-255.04012013751077	-323.53623416793397	-300.7041961577929	-255.04012013751077	-277.87215814765193	-369.200310188216	-346.368272178075	-323.53623416793397	-300.7041961577929	-277.87215814765193	-323.5327845315727	-309.15816038806787	-312.0350864547439	-326.7749339290128	-309.15816038806787	-312.0350864547439	-326.7749339290128	-326.7749339290128	145.12566580314427	128.0016372955385	128.0016372955385	127.9815376439472	127.9815376439472	-326.7749339290128	145.12566580314427	128.0016372955385	128.0016372955385	127.9815376439472	127.9815376439472	123.09250178504524	123.07159315871272	123.09250178504526	123.07159315871273	-35.59790444557581	158.69807272694302	146.82257953753296	134.9470863481229	123.07159315871272	111.19609996930271	99.32060677989247	87.44511359048246	158.69807272694302	146.82257953753296	134.9470863481229	123.07159315871273	111.19609996930272	99.32060677989249	87.44511359048248	138.21058865485202	134.11896825049018	130.0273478461281	127.9815376439472	125.93572744176613	123.07159315871272	121.84410703740411	117.75248663304227	113.66086622868025	105.47762541995604	97.29438461123218	138.21058865485202	134.11896825049018	130.0273478461281	127.9815376439472	125.93572744176613	123.07159315871273	121.84410703740411	117.75248663304227	113.66086622868025	105.47762541995604	123.07159315871272	123.07159315871272	123.07159315871272	123.07159315871272	123.07159315871272	123.07159315871273	123.07159315871273	123.07159315871273	123.07159315871273	123.07159315871273	123.07159315871272	123.07159315871272	123.07159315871272	123.07159315871272	123.07159315871272	123.07159315871273	123.07159315871273	123.07159315871273	123.07159315871273	123.07159315871273	127.93463845690059	-315.4755799365531	140.83604614805176	123.02280636393662	123.02280636393662	123.02280636393662	123.02280636393662	127.93463845690059	127.93463845690059	-346.368272178075	-346.368272178075	143.43931708396696	-317.72911152921813		0.7082147880703444	0	-318.43732631728847			-486.5992
1495. pyruvate 26: blend	pyruvate 26: blend	pyruvate reactant		1546	1495	pyruvate reactant	1593		3	?	0	3	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	W	0				pyruvate 26: reactant	-	WA																95.13893405314681					95.13893405314681		95.13893405314681	95.13893405314681	405.6689412293696	-481.74008320312544	229.85308754475253	283.7090030940611	340.38782115180527	405.6081441498813	476.03839780827764	548.0197222060593	624.924185359486	-481.74008320312544	-342.6963693876699	-343.4367950843569	-343.4367950843569	112.92361779502411	95.11037801090896	95.11037801090896	95.11037801090896	405.6081441498813	405.6081441498813	405.6081441498813	-486.60716807739504	116.15644547172235	95.11037801090896	95.11037801090896	-350.8861046188164		-346.7	141.54585998414692	1.6886555792731173	-139.8572044048738	-346.9	1495. pyruvate 26: reactant	-	W	-402.29789665056535	-385.1381250254863	-368.0104936966989	-350.8861046188164	-1.2711390756168603	-333.76204005129824	-316.63800793767234	-299.5139790694643	-350.8861046188164	-333.76204005129824	-299.5139790694643	-316.63800793767234	-385.13811106206083	-368.0104797129647	-350.88609063304796	-333.7620260653263	-316.63799395168013	-350.88351737760917	-338.4978013749333	-340.97611638333564	-353.3151449161174	-338.4977862926876	-340.97610152604193	-353.3151449161174	-353.3151449161174	118.58545481603963	101.46142630843386	101.5741045520234	101.5540049004321	101.4911530161197	-353.3151449161174	118.58545481603963	101.46142630843386	101.5741045520234	101.5540049004321	101.4911530161197	95.13128663724149	95.11037801090896	95.13128663724149	95.11037801090896	-53.37019032504162	148.50912437818843	130.73312316890087	112.92330562615311	95.11037801090896	77.29716668262236	59.48392949224311	41.67068994454449	148.50912437818843	130.73312316890087	112.92330562615312	95.11037801090896	77.29716668262238	59.483929492243114	41.6706899445445	114.97131811803912	109.60547335785763	104.23819733855183	101.5540049004321	98.86943261990035	95.11037801090896	93.49911631227957	88.12718225683004	82.75356233425593	72.00098700628678	61.24082910695506	114.97131811803912	109.60547335785766	104.23819733855183	101.5540049004321	98.86943261990035	95.11037801090896	93.49911631227957	88.12718225683004	82.75356233425593	72.00098700628678	95.85080370759593	95.20059986264287	95.11037801090896	95.04360929933102	94.99067785414454	95.85080370759594	95.20059986264289	95.11037801090896	95.04360929933104	94.99067785414455	95.11037801090896	95.11037801090896	95.11037801090896	95.11037801090896	95.11037801090896	95.11037801090896	95.11037801090896	95.11037801090896	95.11037801090896	95.11037801090896	101.44426695408266	-343.55648038388006	112.75514570072485	94.94190591660971	94.99483644749208	95.06160400574994	95.80201691281984	101.44426695408266	101.44426695408266	-368.0104797129647	-368.0104797129647	98.96543211124722								-
1496. pyruvate 27: pyruvic acid (eq,buf)	pyruvate 27: pyruvic acid (eq,buf)	pyruvic acid (eq,buf)	C3H4O3	1547	1496	pyruvic acid (eq,buf)	1594		3	4	0	3	0	0	0	0		-2	10	10	88.03		-122.7	-	-513.3768	-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-142.5	-596.22	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-513.3768	-513.3768	W	0				pyruvate 27: pyruvic acid (eq,buf)	-596.22	WA	94.79014232128006	94.76156719862556	94.76156719862557	-350.3103845315727	-350.3103845315727		-100	-350.3103845315727	-350.3103845315727	0	-370.67656243661855											94.79014232128006	94.79014232128006	94.79014232128006	405.3201494975028	-510.04251054838164	211.73200993341996	271.488433502606	334.10157591368795	405.2593333375979	481.6273051348709	559.5463735336216	642.3885830453369	-510.04251054838164	-343.7856058966403	-343.7856058966403	-343.7856058966403	112.57480698274071	94.76156719862556	94.76156719862556	94.76156719862556	405.2593333375979	405.2593333375979	405.2593333375979	-513.3768	116.7287159226048	94.76156719862556	94.76156719862556	-350.3138341679339							1496. pyruvate 27: pyruvic acid (eq,buf)	-513.3768	W	-418.809948198357	-395.97791018821596	-373.1458721780749	-350.3138341679339	-1.2705863516535847	-327.4817961577928	-304.6497581476518	-281.8177201375108	-350.313834167934	-327.4817961577929	-281.8177201375108	-304.64975814765194	-395.977910188216	-373.145872178075	-350.313834167934	-327.4817961577929	-304.64975814765194	-350.3103845315727	-337.8512928381769	-340.3451124148311	-353.5525339290128	-337.8512928381769	-340.3451124148311	-353.5525339290128	-353.5525339290128	118.34806580314427	101.2240372955385	101.2240372955385	101.2039376439472	101.2039376439472	-353.5525339290128	118.34806580314427	101.2240372955385	101.2240372955385	101.2039376439472	101.2039376439472	94.78247582495808	94.76156719862556	94.7824758249581	94.76156719862557	-35.59790444557581	130.38804676685587	118.5125535774458	106.63706038803574	94.76156719862556	82.88607400921555	71.01058081980531	59.13508763039531	130.38804676685587	118.51255357744581	106.63706038803575	94.76156719862557	82.88607400921556	71.01058081980533	59.13508763039532	114.62554273836707	109.25690070059913	103.88825866283102	101.2039376439472	98.51961662506314	94.76156719862556	93.15097458729508	87.78233254952714	82.41369051175926	71.67640643622309	60.93912236068715	114.62554273836707	109.25690070059915	103.88825866283102	101.2039376439472	98.51961662506314	94.76156719862557	93.15097458729508	87.78233254952714	82.41369051175926	71.67640643622309	94.76156719862556	94.76156719862556	94.76156719862556	94.76156719862556	94.76156719862556	94.76156719862557	94.76156719862557	94.76156719862557	94.76156719862557	94.76156719862557	94.76156719862556	94.76156719862556	94.76156719862556	94.76156719862556	94.76156719862556	94.76156719862557	94.76156719862557	94.76156719862557	94.76156719862557	94.76156719862557	101.15703845690058	-343.7856058966403	112.5260201879646	94.71278040384946	94.71278040384946	94.71278040384946	94.71278040384946	101.15703845690058	101.15703845690058	-373.145872178075	-373.145872178075	116.66171708396695	-346.0391374893053		0.7082147880703444	0	-346.7473522773756			-513.3768
1497. pyruvate 28: pyruvic acid ?	pyruvate 28: pyruvic acid ?	pyruvic acid ?	C3H4O3	1548	1497	pyruvic acid ?	1595		3	4	0	3	0	0	0	0		-2	10	10	88.03	-485.4	-116.3	-	-486.5992	-	-	-	-	-487.34	-		-	-	-	-	-	-	-	-603.7	-	-	-145.2	-607.5168	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-485.4	-485.4	E	0				pyruvate 28: pyruvic acid ?	-607.5168	E<WA	124.34763391946885																					124.34763391946885	124.34763391946885	124.34763391946885	434.8776410956916	-480.48501895019285	241.28950153160875	301.04592510079476	363.65906751187674	434.8168249357867	511.18479673305967	589.1038651318104	671.9460746435257	-480.48501895019285	-314.2281142984515	-314.2281142984515	-314.2281142984515	142.1322985809295	124.31905879681435	124.31905879681435	124.31905879681435	434.8168249357867	434.8168249357867	434.8168249357867	-485.4	144.70551592260483			-322.3370341679339							1497. pyruvate 28: pyruvic acid ?	-485.4	E	-390.833148198357	-368.00111018821593	-345.1690721780749	-322.3370341679339	-1.3857689956118575	-299.5049961577928	-276.6729581476518	-253.84092013751075			-253.84092013751075																														124.34763391946885															139.3092352421403	135.25783620286313	131.20643716358572	129.18073764394723	127.15503812430855	124.31905879681435	123.1036390850312	119.05224004575403	115.00084100647669	106.89804292792184	98.79524484936732
1498. QUINOL	QUINOL			1549	1498		1515														0																																																	0				QUINOL																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1498. QUINOL																																											0
1499. quinol-p = hydroquinone (cr)	quinol-p = hydroquinone (cr)	p-hydroquinone (cr) =p-quinol	C6H6O2	1550	1499	p-hydroquinone (cr) =p-quinol	1516	123-31-9	6	6	0	2	0	0	0	0		2	26	26	110.06		-	-		-207	-	-	-	-	-		-	-	-	-	-	-207	-	-	-	-	-		-	-	-	-	-		-	-87.08	-364.34272	-	-	-	-	-	-	-	-	-	-	-	1	0	-207	-207	A	0				quinol-p = hydroquinone (cr)	-165.05880000000002	X<-phenol	344.9566246232197	344.93757454145	344.93757454145	37.59962320264091	37.59962320264091		-100	37.5996232026409	37.5996232026409	0	32.73639910648086											344.9566246232197	344.9566246232197	344.9566246232197	966.0166389756652	-208.68805768908268	471.9990213063479	627.1383480129502	787.9911124033443	965.9331068193947	1154.2955299821708	1345.7601463479027	1547.0710449395633	-208.68805768908268	40.697299288529365	40.697299288529365	40.697299288529365	344.93757454145	344.93757454145	344.93757454145	344.93757454145	965.9331068193947	965.9331068193947	965.9331068193947	-207	348.95614880845835	344.93757454145	344.93757454145	37.594448748099154							1499. quinol-p = hydroquinone (cr)	-207	A	-65.1497222975355	-30.90166528232396	3.3463917328876107	37.594448748099154	8.175733016717299	71.84250576331073	106.09056277852227	140.3386197937338	37.59444874809907	71.84250576331061	140.3386197937338	106.09056277852216	-30.901665282324046	3.346391732887497	37.59444874809907	71.84250576331061	106.09056277852216	37.59962320264091	47.92639590959706	45.858039511243135	32.73639910648086	47.92639590959706	45.858039511243135	32.73639910648086	32.73639910648086	347.3367989279189	347.3367989279189	347.3367989279189	347.32339916019134	347.32339916019134	32.73639910648086	347.3367989279189	347.3367989279189	347.3367989279189	347.32339916019134	347.32339916019134	344.95151362567174	344.93757454145	344.95151362567174	344.93757454145	35.64552964999996	309.3110949732197	321.18658816262985	333.06208135203997	344.93757454145	356.8130677308602	368.6885609202702	380.56405410968034	309.3110949732197	321.18658816262985	333.06208135203997	344.93757454145	356.8130677308602	368.6885609202702	380.56405410968034	206.90218507666015	263.0706707100726	319.239156343485	347.32339916019134	375.4076419768976	414.7255819202861	431.5761276103098	487.7446132437225	543.9130988771348	656.2500701439596	768.5870414107846	352.29386711590223	350.30567993361785	348.3174927513335	347.32339916019134	346.3293055690491	344.93757454145	344.3411183867647	342.35293120448046	340.3647440221961	336.3883696576271	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	344.93757454145	347.29213303549363	40.697299288529365	344.9050500115993	344.9050500115993	344.9050500115993	344.9050500115993	344.9050500115993	347.29213303549363	347.29213303549363	3.346391732887497	3.346391732887497	348.91148291603304	37.3170018995318		1.0623221821055167	0	36.254679717426285			-207
1500. quinone-p (cr)	quinone-p (cr)	p-quinone (cr)	C6H4O2	1551	1500	p-quinone (cr)	1597		6	4	0	2	0	0	0	0		0	24	24	108.06		-	-		-83.7	-	-	-	-	-		-	-	-	-	-	-	-	-	-185.7	-	-		-	-	-	-	-		-	-44.33	-185.47672	-	-	-	-	-	-	-	-	-	-	-	1	0	-83.7	-83.7	T	0				quinone-p (cr)	-104.625	=1.25*DfG	387.65842351318	387.6393734314103	383.4284057976689	79.36641546842726	79.36641546842726		-100	79.36641546842728	79.36641546842728	0	76.12426607098722											387.65842351318	387.65842351318	387.65842351318	1008.7184378656254	-82.85780647325173	550.3272997645386	693.5911332817307	842.5684044827146	1008.634905709355	1185.121835682721	1364.7109588590429	1554.1463642612935	-82.85780647325173	83.39909817848967	83.39909817848967	83.39909817848967	387.6393734314103	387.6393734314103	387.6393734314103	387.6393734314103	1008.634905709355	1008.634905709355	1008.634905709355	-83.7	390.72466589242526	383.4284057976689	383.4284057976689	79.36296583206611							1500. quinone-p (cr)	-83.7	T	10.866851801642994	33.69888981178403	56.53092782192506	79.36296583206611	3.8846262163825167	102.19500384220716	125.02704185234818	147.85907986248924	79.36296583206602	102.19500384220707	147.85907986248924	125.02704185234809	33.69888981178397	56.530927821925005	79.36296583206602	102.19500384220707	125.02704185234809	79.36641546842726	83.44667771355886	82.62862402655743	76.12426607098722	83.44667771355886	82.62862402655743	76.12426607098722	76.12426607098722	390.72466589242526	390.72466589242526	390.72466589242526	390.7112661246977	390.7112661246977	76.12426607098722	390.72466589242526	390.72466589242526	390.72466589242526	390.7112661246977	390.7112661246977	383.4423448818906	383.4284057976689	383.4423448818906	383.4284057976689	4.23001771551111	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.428405797669	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.428405797669	383.4284057976689	383.4284057976689	397.11104256904633	394.5511319913069	391.99122141356736	390.7112661246977	389.43131083582796	387.6393734314103	386.8714002580885	384.31148968034904	381.75157910260964	376.6317579471305	371.5119367916517	405.88389180600757	399.8148415334837	393.74579126095966	390.7112661246977	387.6767409884357	383.4284057976689	381.60769071591176	375.5386404433878	369.46959017086385	357.3314896258157	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	383.4284057976689	390.68	79.18813054474826	383.3958812678182	383.3958812678182	383.3958812678182	383.3958812678182	383.3958812678182	390.68	390.68	56.530927821925005	56.530927821925005	390.68	81.14556658582461		0.7082147880703444	0	80.43735179775426			-83.7
1501. RESORCINOL	RESORCINOL			1552	1501		1598														0																																																	0				RESORCINOL																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1501. RESORCINOL																																											0
1502. resorcinol (cr)	resorcinol (cr)	resorcinol (cr)	C6H6O2	1553	1502	resorcinol (cr)	1599	108-46-3	6	6	0	2	0	0	0	0		2	26	26	110.06		-	-		-209.2	-	-	-	-	-		-	-	-	-	-	-	-	-	-368	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	1	0	-209.2	-209.2	T	0				resorcinol (cr)	-261.5	=1.25*DfG	346.5496630267079	346.5306129449382	336.0057093729107	35.399623202640925	35.399623202640925		-100	35.39962320264091	35.39962320264091	0	30.53639910648087											346.5496630267079	346.5496630267079	346.5496630267079	967.6096773791534	-207.09501928559447	473.5920597098361	628.7313864164385	789.5841508068326	967.5261452228829	1155.888568385659	1347.353184751391	1548.6640833430515	-207.09501928559447	42.29033769201757	42.29033769201757	42.29033769201757	346.5306129449382	346.5306129449382	346.5306129449382	346.5306129449382	967.5261452228829	967.5261452228829	967.5261452228829	-209.2	346.7561488084583	336.0057093729107	336.0057093729107	35.394448748099165							1502. resorcinol (cr)	-209.2	T	-67.3497222975355	-33.10166528232395	1.146391732887622	35.394448748099165	8.791073891080705	69.64250576331074	103.89056277852228	138.13861979373382	35.39444874809908	69.64250576331062	138.13861979373382	103.89056277852217	-33.101665282324035	1.1463917328875084	35.39444874809908	69.64250576331062	103.89056277852217	35.399623202640925	37.31156444892292	36.92617434270383	30.53639910648087	37.31156444892292	36.92617434270383	30.53639910648087	30.53639910648087	345.1367989279189	345.1367989279189	345.1367989279189	345.12339916019135	345.12339916019135	30.53639910648087	345.1367989279189	345.1367989279189	345.1367989279189	345.12339916019135	345.12339916019135	336.0196484571324	336.0057093729107	336.0196484571324	336.0057093729107	46.17043322202744	300.37922980468045	312.25472299409057	324.1302161835007	336.0057093729107	347.8812025623209	359.75669575173094	371.63218894114107	300.37922980468045	312.25472299409057	324.1302161835007	336.0057093729107	347.8812025623209	359.75669575173094	371.63218894114107	342.19170377530185	343.36438192925766	344.5370600832134	345.12339916019135	345.7097382371692	346.5306129449382	346.88241639112493	348.0550945450808	349.2277726990366	351.57312900694797	353.9184853148596	364.11858621702584	356.52051139429204	348.92243657155825	345.12339916019135	341.3243617488244	336.0057093729107	333.7262869260906	326.1282121033569	318.5301372806231	303.33398763515515	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	336.0057093729107	345.09213303549365	31.76543411999006	335.97318484306	335.97318484306	335.97318484306	335.97318484306	335.97318484306	345.09213303549365	345.09213303549365	1.1463917328875084	1.1463917328875084	346.71148291603305	38.91004030302001		1.0623221821055167	0	37.84771812091449			-209.2
1503. RETINAL/RETINAL	RETINAL/RETINAL			1554	1503																0																																																	0				RETINAL/RETINAL																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1503. RETINAL/RETINAL																																											0
1504. retinal-species	retinal-species	retinal-species	C20H28O	1555	1504	retinal-species	1602	116-31-4	20	28	0	1	0	0	0	0		26	106	106	284.2	305.1	-	-		-	-	-	-	-	-		-	-	-	-	-	0	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	305.1	305.1	E	0				retinal-species	381.375	=1.25*DfG	1600.1448242027566																					1600.1448242027566	1600.1448242027566	1600.1448242027566	3670.344872044241	302.03006875733695	1679.284152551972	2311.2116757382773	2962.1839912038886	3670.1204067550207	4412.791584795239	5165.803406845309	5951.636169648476	302.03006875733695	1465.8284013195266	1465.8284013195266	1465.8284013195266	1617.948538945987	1600.1352991618717	1600.1352991618717	1600.1352991618717	3670.1204067550207	3670.1204067550207	3670.1204067550207	305.1	1602.2216108546422	1298.1052304045347	1298.1052304045347	1446.5407608244627		1445.9		-0.258480004619284		1442.8	1504. retinal-species	305.1	E	967.067962611501	1126.8922286824882	1286.7164947534754	1446.5407608244627	0.10618716564249907	1606.3650268954498	1766.1892929664373	1926.0135590374243	1141.4407608244621	1301.2650268954494	1926.0135590374243	1461.0892929664367	821.7922286824877	981.616494753475	1141.4407608244621	1301.2650268954494	1461.0892929664367	1141.4649082789908	1199.503517431102	1187.881786934854	1118.7698624969105	1199.503517431102	1187.881786934854	1118.7698624969105	1118.7698624969105	1276.0700624076294	1258.9460339000236	1258.9460339000236	1258.93933401616	1258.93933401616	1118.7698624969105	1276.0700624076294	1258.9460339000236	1258.9460339000236	1258.93933401616	1258.93933401616	1298.1121999466457	1298.1052304045347	1298.1121999466457	1298.1052304045347	765.1838281852155	834.9609960175411	989.3424074798723	1143.7238189422037	1298.1052304045347	1452.4866418668662	1606.8680533291974	1761.2494647915287	834.9609960175411	989.3424074798723	1143.7238189422037	1298.1052304045347	1452.4866418668662	1606.8680533291974	1761.2494647915287	1488.839406629261	1518.9193775840208	1548.9993485387804	1564.0393340161602	1579.07931949354	1600.1352991618717	1609.1592904482998	1639.2392614030596	1669.319232357819	1729.4791742673385	1789.639116176858	1177.3437165403795	1209.981963530692	1242.620210521004	1258.93933401616	1275.2584575113162	1298.1052304045347	1307.8967045016286	1340.534951491941	1373.173198482253	1438.4496924628777	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1298.1052304045347	1258.923700953811	1163.7983325621897	1315.9022079237247	1298.0889681396095	1298.0889681396095	1298.0889681396095	1298.0889681396095	1258.923700953811	1258.923700953811	981.616494753475	981.616494753475	1297.099277908429	1450.0536801708713		4.957503516492411	0	1445.096176654379	0.001		305.1
1505. retinol-species	retinol-species	retinol-species	C20H30O	1557	1505	retinol-species	1605	68-26-8	20	30	0	1	0	0	0	0		28	108	108	286.2	276.2	-	-		-	-	-	-	-	-		-	-	-	-	-	-27.91	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	276.2	276.2	E	0				retinol-species	345.25	=1.25*DfG	1654.664069753514																					1654.664069753514	1654.664069753514	1654.664069753514	3724.864117594999	273.4208619822237	1698.1769185344988	2341.9799349102145	3004.827743565236	3724.639652305778	4479.186323535407	5244.073638774887	6041.781894767464	273.4208619822237	1520.347646870284	1520.347646870284	1520.347646870284	1672.4677844967443	1654.654544712629	1654.654544712629	1654.654544712629	3724.639652305778	3724.639652305778	3724.639652305778	276.2	1654.8530937706753			1499.1722437404958							1505. retinol-species	276.2	E	985.4513885123224	1156.6916735883801	1327.931958664438	1499.1722437404958	0.10371845307451784	1670.4125288165537	1841.6528138926114	2012.8930989686692			2012.8930989686692																														1654.664069753514															1532.5450552579548	1565.5476199754346	1598.5501846929142	1615.0514670516538	1631.5527494103935	1654.654544712629	1664.555314127873	1697.5578788453531	1730.5604435628325	1796.5655729977916	1862.570702432751
1506. retinol-species	retinol-species	retinol-species	-H2	1556	1506	retinol-species	1604	68-26-8	0	-2	0	0	0	0	0	0		-2	-2	-2	-2		-	-		-	-	-	-	-	-		-	-	-	-	-	-27.91	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-27.91	-27.91	A	0				retinol-species	-34.8875	=1.25*DfG	-128.57086031391006	-128.57086031391006	1352.2003555461022	-109.44320773421363	1195.0881160132044	53.62	-95.51330154810044	-109.44320773421364	1195.0881160132044	0	1153.6479670247984											-128.57086031391006	-128.57086031391006	-128.57086031391006	-128.57086031391006	-27.629168203924202	-92.94438074567975	-104.81987393508984	-116.69536712449994	-128.57086031391006	-140.44635350332015	-152.32184669273025	-164.19733988214034	-27.629168203924202	-110.7576205297949	-110.7576205297949	-110.7576205297949	-110.7576205297949	-128.57086031391006	-128.57086031391006	-128.57086031391006	-128.57086031391006	-128.57086031391006	-128.57086031391006	-27.91	-109.44148291603305	1352.2003555461022	1352.2003555461022	-109.44148291603305	-2.0410571226414223						1506. retinol-species	-27.91	A	-75.1934259008215	-86.60944490589202	-98.02546391096253	-109.44148291603305	0.1747909192034036	-120.85750192110358	-132.2735209261741	-143.6895399312446	1195.0622437404952	1366.302528816553	-143.6895399312446	1537.5428138926106	852.5816735883798	1023.8219586644376	1195.0622437404952	1366.302528816553	1537.5428138926106	1195.0881160132044	1255.868181124373	1243.697158817326	1170.7719955324042	1255.868181124373	1243.697158817326	1170.7719955324042	1170.7719955324042	1328.0721954431233	1310.9481669355175	1310.9481669355175	1310.9414670516537	1310.9414670516537	1170.7719955324042	1328.0721954431233	1310.9481669355175	1310.9481669355175	1310.9414670516537	1310.9414670516537	1352.207325088213	1352.2003555461022	1352.207325088213	1352.2003555461022	-982.0005019047884	853.4296415908783	1019.6865462426198	1185.943450894361	1352.2003555461022	1518.4572601978437	1684.714164849585	1850.9710695013264	853.4296415908783	1019.6865462426198	1185.943450894361	1352.2003555461022	1518.4572601978437	1684.714164849585	1850.9710695013264	-117.39470577057725	-120.4152880795861	-123.43587038859498	-124.94616154309938	-126.45645269760384	-128.57086031391006	-129.47703500661268	-132.4976173156216	-135.51819962463043	-141.55936424264817	-147.60052886066592	1224.985449354886	1259.3678564335933	1293.7502635123003	1310.9414670516537	1328.1326705910071	1352.2003555461022	1362.5150776697144	1396.8974847484221	1431.279891827129	1500.0447059845433	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1352.2003555461022	1310.9258339893047	1217.8934577037571	1369.997333065292	1352.1840932811767	1352.1840932811767	1352.1840932811767	1352.1840932811767	1310.9258339893047	1310.9258339893047	1023.8219586644376	1023.8219586644376	1350.720760824462	-109.63085473346237		-0.3541073940351722	0	-109.2767473394272	0.001		-27.91
1507. retinol-species adjusted	retinol-species adjusted	retinol-species	set to zero	1558	1507	retinol-species	1601	68-26-8	0	0	0	0	0	0	0	0		0	0	0	0		-	-		-	-	-	-	-	-		-	-	-	-	-	-27.91	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	0	0	A	0				retinol-species adjusted	0	=1.25*DfG																								0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1507. retinol-species adjusted	0	A	0	0	0	0		0	0	0			0																														0															0	0	0	0	0	0	0	0	0	0	0
1508. RIBITOL	RIBITOL			1559	1508		1606														0																																																	0				RIBITOL																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1508. RIBITOL																																											0
1509. ribitol-species	ribitol-species	ribitol-species	C5H12O5	1560	1509	ribitol-species	1607	488-81-3	5	12	0	5	0	0	0	0		2	22	22	152.05		-	-		-	-	-	-	-	-		-	-	-	-	-	-774.8	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-774.8	-774.8	A	-790.7760000000001	-189	15.976000000000113		ribitol-species	-1034	XX<-ribose	477.2381202262652	477.1904950218409	477.1904950218409	-285.6007535947181	-285.6007535947181	-285.61	0.0032375283207430883	-285.6007535947182	-285.6007535947182	0	-312.451230294644											477.2381202262652	477.2381202262652	477.2381202262652	994.7881321866364	-764.3676672815697	577.1372873978843	708.3993085182879	844.4225277085179	994.6867719201281	1153.63470675401	1315.167802590355	1484.906133614974	-764.3676672815697	-265.59695332634556	-265.59695332634556	-265.59695332634556	495.003734805956	477.1904950218409	477.1904950218409	477.1904950218409	994.6867719201281	994.6867719201281	994.6867719201281	-774.8	492.7931476470963	477.1904950218409	477.1904950218409	-285.61110250380165	1.0000038601722685	-288.5	4.4474502319615786E-4	-1.1653681212302893	-1.1658128662534855	-289.8	1509. ribitol-species	-774.8	A	-491.09944459507096	-422.6033305646479	-354.10721653422473	-285.61110250380165	-2.670936864997792	-217.1149884733785	-148.61887444295542	-80.12276041253233	-285.6111025038018	-217.11498847337873	-80.12276041253233	-148.61887444295564	-422.60333056464805	-354.10721653422496	-285.6111025038018	-217.11498847337873	-148.61887444295564	-285.6007535947181	-247.6866480600612	-255.27547288091802	-295.32720178703823	-247.6866480600612	-255.27547288091802	-295.32720178703823	-295.32720178703823	491.17379776655685	474.0497692589511	474.0497692589511	474.0162698396322	474.0162698396322	-295.32720178703823	491.17379776655685	474.0497692589511	474.0497692589511	474.0162698396322	474.0162698396322	477.22534273239523	477.1904950218409	477.22534273239523	477.1904950218409	35.67410477265446	441.56401545361075	453.4395086430209	465.31500183243094	477.1904950218409	489.06598821125124	500.94148140066125	512.8169745900714	441.56401545361075	453.4395086430209	465.31500183243094	477.1904950218409	489.06598821125124	500.94148140066125	512.8169745900714	467.40330071003	470.04848836187085	472.69367601371164	474.0162698396322	475.3388636655525	477.1904950218409	477.9840513173933	480.6292389692342	483.274426621075	488.56480192475595	493.8551772284378	467.40330071003	470.04848836187085	472.6936760137117	474.0162698396322	475.3388636655525	477.1904950218409	477.9840513173933	480.6292389692342	483.274426621075	488.56480192475595	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	477.1904950218409	473.93810452788796	-265.59695332634556	494.92242348132925	477.1091836972141	477.1091836972141	477.1091836972141	477.1091836972141	473.93810452788796	473.93810452788796	-354.10721653422496	-354.10721653422496	492.68148291603313	-272.3575481043407		2.1246443642110333	0	-274.4821924685517	0.001		-774.8
1510. ribitol-species	ribitol-species	ribitol-species	C5H12O5	1561	1510	ribitol-species	1608	488-81-3	5	12	0	5	0	0	0	0		2	22	22	152.05	-777.4	-	-		-	-	-	-	-	-		-	-	-	-	-	-774.8	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-777.4	-777.4	E	0				ribitol-species	-1034	XX<-ribose	474.53347491350326																					474.53347491350326	474.53347491350326	474.53347491350326	992.0834868738744	-767.0723125943316	574.4326420851223	705.694663205526	841.717882395756	991.9821266073661	1150.9300614412482	1312.463157277593	1482.201488302212	-767.0723125943316	-268.3015986391075	-268.3015986391075	-268.3015986391075	492.29908949319406	474.48584970907893	474.48584970907893	474.48584970907893	991.9821266073661	991.9821266073661	991.9821266073661	-777.4	490.1931476470963			-288.21110250380167							1510. ribitol-species	-777.4	E	-493.699444595071	-425.2033305646479	-356.70721653422476	-288.21110250380167	-2.6464788163642794	-219.71498847337853	-151.21887444295544	-82.72276041253235			-82.72276041253235																														474.53347491350326															465.0213117782842	467.57929500282336	470.13727822736246	471.41626983963215	472.6952614519016	474.48584970907893	475.2532446764408	477.81122790098	480.3692111255191	485.48517757459666	490.60114402367515
1511. RIBOSE	RIBOSE			1562	1511		1609														0																																																	0				RIBOSE	-1034																									0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0								`				1511. RIBOSE																																											0
1512. ribose 11: species	ribose 11: species	ribose species	C5H10O5	1563	1512	ribose species	1610	50-69-1	5	10	0	5	0	0	0	0		0	20	20	150.05		-	-		[-757.3]	-	-	-	-	-		-	-	-	-738.786	-	-752	-	-	-	-	-		-	-1034.003	-	-	-		-1034	-	-	-	-	-	-	-	-	-	-	204	-	-	0.001	-17.813239784115144	-752	-752	A	-753.5384	-180.1	1.5384000000000242		ribose 11: species	-1034	A	417.8273267969232	417.7797015924989	417.7797015924989	-344.3339613289318	-344.3339613289318	-344.34	0.0017537250885268918	-344.33396132893176	-344.33396132893176	0	-369.5633633301377											417.8273267969232	417.8273267969232	417.8273267969232	935.3773387572944	-740.650008385041	553.3529735367725	672.7395014677661	796.8872274685859	935.2759784907861	1082.348420135258	1232.0060227821928	1389.8688606174017	-740.650008385041	-325.00774675568755	-325.00774675568755	-325.00774675568755	435.592941376614	417.7797015924989	417.7797015924989	417.7797015924989	935.2759784907861	935.2759784907861	935.2759784907861	-752	434.0616647310632	417.7797015924989	417.7797015924989	-344.34258541983473	1.0000075083343054	-335.6	0.0010429466117746638	3.5267192272538006	3.5256762806420263	-336.7	1512. ribose 11: species	-752	A	-515.5828704958925	-458.5027754705399	-401.4226804451873	-344.34258541983473	-2.2134059058872815	-287.26249039448214	-230.1823953691295	-173.10230034377696	-344.3425854198349	-287.2624903944823	-173.10230034377696	-230.18239536912972	-458.5027754705401	-401.4226804451875	-344.3425854198349	-287.2624903944823	-230.18239536912972	-344.3339613289318	-309.41839711305073	-316.4065130511646	-352.4393348225319	-309.41839711305073	-316.4065130511646	-352.4393348225319	-352.4393348225319	434.06166473106316	416.9376362234574	416.9376362234574	416.9041368041385	416.9041368041385	-352.4393348225319	434.06166473106316	416.9376362234574	416.9376362234574	416.9041368041385	416.9041368041385	417.81454930305324	417.7797015924989	417.81454930305324	417.7797015924989	0.04762520442420737	417.779701592499	417.779701592499	417.779701592499	417.7797015924989	417.7797015924991	417.779701592499	417.779701592499	417.779701592499	417.779701592499	417.779701592499	417.7797015924989	417.7797015924991	417.779701592499	417.779701592499	415.080043495054	415.80968081868775	416.53931814232146	416.9041368041385	417.2689554659553	417.7797015924989	417.998592789589	418.72823011322293	419.45786743685676	420.91714208412344	422.37641673139115	415.080043495054	415.80968081868775	416.5393181423215	416.9041368041385	417.2689554659553	417.7797015924989	417.998592789589	418.72823011322293	419.45786743685676	420.91714208412344	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	417.7797015924989	416.8259714923943	-325.00774675568755	435.51163005198725	417.6983902678721	417.6983902678721	417.6983902678721	417.6983902678721	416.8259714923943	416.8259714923943	-401.4226804451875	-401.4226804451875	433.95000000000005	-330.6415757373502		1.7705369701758613	0	-332.41211270752603	0.001		-752
1513. ribose 12: species	ribose 12: species	ribose species	C5H10O5	1564	1513	ribose species	1612	50-69-1	5	10	0	5	0	0	0	0		0	20	20	150.05		-	-		-757.3	-	-	-	-	-		-	-	-	-738.786	-	-752	-	-	-	-	-		-	-1034.003	-	-	-		-1034	-	-	-	-	-	-	-	-	-	-	204	-	-	0.001	-17.813239784115144	-757.3	-757.3	T-estimated	-753.5384	-180.1	-3.7615999999999303		ribose 12: species	-1034	A	412.31401135167755	412.26638614725323	412.26638614725323	-349.6339613289318	-349.6339613289318		-100	-349.6339613289317	-349.6339613289317	0	-374.86336333013764											412.31401135167755	412.31401135167755	412.31401135167755	929.8640233120487	-746.1633238302867	547.8396580915269	667.2261860225203	791.3739120233404	929.7626630455404	1076.8351046900125	1226.4927073369472	1384.3555451721559	-746.1633238302867	-330.5210622009332	-330.5210622009332	-330.5210622009332	430.07962593136835	412.26638614725323	412.26638614725323	412.26638614725323	929.7626630455404	929.7626630455404	929.7626630455404	-757.3	428.76166473106326	412.26638614725323	412.26638614725323	-349.6425854198347		-335.6		5.664715141144267		-336.7	1513. ribose 12: species	-757.3	T-estimated	-520.8828704958925	-463.80277547053987	-406.7226804451873	-349.6425854198347	-2.1792442584091694	-292.5624903944821	-235.48239536912945	-178.40230034377691	-349.64258541983486	-292.56249039448227	-178.40230034377691	-235.48239536912968	-463.80277547054004	-406.72268044518745	-349.64258541983486	-292.56249039448227	-235.48239536912968	-349.6339613289318	-314.98504141960774	-321.9198284964103	-357.7393348225319	-314.98504141960774	-321.9198284964103	-357.7393348225319	-357.7393348225319	428.7616647310632	411.63763622345743	411.63763622345743	411.60413680413853	411.60413680413853	-357.7393348225319	428.7616647310632	411.63763622345743	411.63763622345743	411.60413680413853	411.60413680413853	412.3012338578076	412.26638614725323	412.3012338578076	412.26638614725323	0.04762520442420737	412.26638614725334	412.26638614725334	412.26638614725334	412.26638614725323	412.26638614725346	412.26638614725334	412.26638614725334	412.26638614725334	412.26638614725334	412.26638614725334	412.26638614725323	412.26638614725346	412.26638614725334	412.26638614725334	410.2244506726492	410.77632512524497	411.32819957784056	411.60413680413853	411.8800740304363	412.26638614725323	412.431948483032	412.9838229356278	413.5356973882235	414.6394462934142	415.7431951986057	410.2244506726492	410.77632512524497	411.3281995778406	411.60413680413853	411.8800740304363	412.26638614725323	412.431948483032	412.9838229356278	413.5356973882235	414.6394462934142	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	412.26638614725323	411.5259714923943	-330.5210622009332	429.9983146067416	412.18507482262646	412.18507482262646	412.18507482262646	412.18507482262646	411.5259714923943	411.5259714923943	-406.72268044518745	-406.72268044518745	428.6500000000001	-336.15489118259586		1.7705369701758613	0	-337.9254281527717	0.001		-757.3
1514. ribose 13: ?	ribose 13: ?	ribose?	C5H10O5	1565	1514	ribose?	1613		5	10	0	5	0	0	0	0		0	20	20	150.05	-743																																											0.001	-17.813239784115144	-743	-743	E	0				ribose 13: ?	-1034	E<'A	427.1895605718687																					427.1895605718687	427.1895605718687	427.1895605718687	944.7395725322399	-731.2877746100955	562.715207311718	682.1017352427116	806.2494612435314	944.6382122657316	1091.7106539102035	1241.3682565571382	1399.2310943923471	-731.2877746100955	-315.64551298074207	-315.64551298074207	-315.64551298074207	444.9551751515595	427.1419353674444	427.1419353674444	427.1419353674444	944.6382122657316	944.6382122657316	944.6382122657316	-743	443.0616647310632			-335.34258541983473		-335.6		-0.10383987180551368		-336.7	1514. ribose 13: ?	-743	E	-506.5828704958925	-449.5027754705399	-392.4226804451873	-335.34258541983473	-2.273889983394281	-278.26249039448214	-221.1823953691295	-164.10230034377696			-164.10230034377696																														427.1895605718687															423.3253897972509	424.35688860000596	425.3883874027608	425.9041368041385	426.4198862055159	427.1419353674444	427.4513850082709	428.482883811026	429.514382613781	431.57738021929043	433.64037782480045
1515. ribose 14: - species	ribose 14: - species	ribose- species	C5H9O5 -1	1566	1515	ribose- species	1614		5	9	0	5	0	0	0	-1		0	20	20	149.05		-	-		-	-	-	-	-	-		-	-	-	-699.666	-	-	-	-	-	-	-		-	-997.903	-	-	-		-	-	-	-	-	-	-	-	-	-	-	93.304	-	-	0.001	-17.813239784115144	-699.666	-699.666	G	0				ribose 14: - species	-997.903	G	428.5101740170028	428.46254881257846	428.46254881257846	-333.5762541223029	-333.5762541223029		-100	-333.5762541223028	-333.5762541223028	-0.8096889262641842	-357.9951187741487	430.04173061826606	1.5315566012632758	1.8110717756407666	2.3632310072351053							428.5101740170028	428.5101740170028	428.5101740170028	946.060185977374	-687.6624984068422	581.8490605409672	695.2978418772557	813.5078212833706	945.9588257108657	1087.0935207606326	1230.8133768128623	1382.738468053366	-687.6624984068422	-313.58446294042415	-314.324899535608	-314.324899535608	446.2757885966936	428.46254881257846	428.46254881257846	428.46254881257846	945.9588257108657	945.9588257108657	945.9588257108657	-699.666	444.82023434678246	428.46254881257846	428.46254881257846	-333.5840158041155							1515. ribose 14: - species	-699.666	G	-487.70027237256744	-436.3281868497501	-384.9561013269328	-333.5840158041155	-2.2845644686663555	-282.2119302812981	-230.8398447584808	-179.46775923566344	-333.5840158041156	-282.2119302812983	-179.46775923566344	-230.83984475848098	-436.3281728637558	-384.9560873409385	-333.5840018181211	-282.2119162953038	-230.8398307724865	-333.5762541223029	-299.9800813220748	-306.7034908342259	-340.8710902665429	-299.98006623971986	-306.7034759768058	-340.8710902665429	-340.8710902665429	445.62990928705216	428.5058807794464	428.61856160597284	428.58506218665394	428.52220884711375	-340.8710902665429	445.62990928705216	428.5058807794464	428.61856160597284	428.58506218665394	428.52220884711375	428.4973965231328	428.46254881257846	428.4973965231328	428.46254881257846	-17.76561457969092	446.2757885966937	440.3380420019887	434.40029540728364	428.46254881257846	422.5248022178736	416.58705562316845	410.64930902846345	446.2757885966937	440.3380420019887	434.40029540728364	428.46254881257846	422.5248022178736	416.58705562316845	410.64930902846345	428.83348527075543	428.7351729093626	428.635463226135	428.58506218665394	428.53428517409884	428.46254881257846	428.43156770628116	428.3272397757084	428.22123033540686	428.00388273772325	427.778956537444	428.83348527075543	428.7351729093626	428.635463226135	428.58506218665394	428.53428517409884	428.46254881257846	428.43156770628116	428.3272397757084	428.22123033540686	428.00388273772325	429.2029854077623	428.55277182482916	428.46254881257846	428.39577926894964	428.34284717988993	429.2029854077623	428.55277182482916	428.46254881257846	428.39577926894964	428.34284717988993	428.46254881257846	428.46254881257846	428.46254881257846	428.46254881257846	428.46254881257846	428.46254881257846	428.46254881257846	428.46254881257846	428.46254881257846	428.46254881257846	428.44405666067917	-314.44458631087645	446.07479049679836	428.26155071268323	428.31448188743144	428.3812502777303	429.12167408313553	428.44405666067917	428.44405666067917	-384.9560873409385	-384.9560873409385	444.7085836017138
1516. ribose 15: species	ribose 15: species	ribose species	C5H10O5	1567	1516	ribose species	1615	50-69-1	5	10	0	5	0	0	0	0		0	20	20	150.05		-	-		[-757.3]	-	-	-	-	-		-	-	-	-738.786	-	-752	-	-	-	-	-		-	-1034.003	-	-	-		-1034	-	-	-	-	-	-	-	-	-	-	204	-	-	0.001	-17.813239784115144	-738.786	-738.786	G	0				ribose 15: species	-1034.003	G	431.57328721952933	431.525662015105	431.525662015105	-331.11996132893177	-331.11996132893177		-100	-331.1199613289317	-331.1199613289317	0	-356.34936333013763		-1.5315566012632758	0.5521592315943386								431.57328721952933	431.57328721952933	431.57328721952933	949.1232991799005	-726.9040479624349	567.0989339593787	686.4854618903721	810.6331878911922	949.0219389133922	1096.094380557864	1245.7519832047988	1403.6148210400079	-726.9040479624349	-311.26178633308143	-311.26178633308143	-311.26178633308143	449.33890179922014	431.525662015105	431.525662015105	431.525662015105	949.0219389133922	949.0219389133922	949.0219389133922	-738.786	447.2756647310633	431.525662015105	431.525662015105	-331.1285854198347							1516. ribose 15: species	-738.786	G	-502.36887049589245	-445.28877547053986	-388.20868044518727	-331.1285854198347	-2.3033404732253535	-274.0484903944821	-216.96839536912944	-159.8883003437769	-331.12858541983485	-274.04849039448226	-159.8883003437769	-216.96839536912967	-445.28877547054003	-388.20868044518744	-331.12858541983485	-274.04849039448226	-216.96839536912967	-331.11996132893177	-295.5394465847931	-302.6605526285585	-339.22533482253186	-295.5394465847931	-302.6605526285585	-339.22533482253186	-339.22533482253186	447.2756647310632	430.15163622345744	430.15163622345744	430.11813680413854	430.11813680413854	-339.22533482253186	447.2756647310632	430.15163622345744	430.15163622345744	430.11813680413854	430.11813680413854	431.56050972565936	431.525662015105	431.56050972565936	431.525662015105	0.04762520442420737	431.5256620151051	431.5256620151051	431.5256620151051	431.525662015105	431.52566201510524	431.5256620151051	431.5256620151051	431.5256620151051	431.5256620151051	431.5256620151051	431.525662015105	431.52566201510524	431.5256620151051	431.5256620151051	427.18579261462475	428.35873029043023	429.53166796623566	430.11813680413854	430.7046056420412	431.525662015105	431.87754331784663	433.0504809936523	434.2234186694577	436.56929402106806	438.915169372679	427.18579261462475	428.35873029043023	429.5316679662357	430.11813680413854	430.7046056420412	431.525662015105	431.87754331784663	433.0504809936523	434.2234186694577	436.56929402106806	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	431.525662015105	430.03997149239433	-311.26178633308143	449.25759047459337	431.44435069047825	431.44435069047825	431.44435069047825	431.44435069047825	430.03997149239433	430.03997149239433	-388.20868044518744	-388.20868044518744	447.1640000000001	-316.8956153147441		1.7705369701758613	0	-318.6661522849199	0.001		-738.786
1517. ribose 16: blend	ribose 16: blend	ribose reactant		1568	1517	ribose reactant	1616		5	?	0	5	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	G	0				ribose 16: reactant	-	G																427.8239455921302					427.8239455921302		427.8239455921302	427.8239455921302	945.3739575525015	-726.9040482931446	567.0924834581721	686.4155948481732	809.9569855850511	945.326335660939	1087.028702646217	1230.8073980054744	1382.7379224935157	-726.9040482931446	-314.40403337261716	-314.95738958553466	-314.95738958553466	445.6432985467669	427.8300587626518	427.8300587626518	427.8300587626518	945.326335660939	945.326335660939	945.326335660939	-738.7860003473293	444.03732281309595	427.8300587626518	427.8300587626518	-334.366927337802		-335.6		-0.4974159081715929		-336.7	1517. ribose 16: reactant	-	G	-502.3755363799218	-445.35464118828554	-388.79974936913356	-334.366927337802	-2.27950437263166	-282.3023272183427	-230.84903423969712	-179.46867971824247	-334.3669273378021	-282.3023272183429	-179.46867971824247	-230.8490342396973	-445.3546408215731	-388.79974640215534	-334.366917139383	-282.3023137331721	-230.849020305453	-334.35893213534473	-300.3623656889631	-307.1466686153706	-341.90063291850674	-300.36235276202575	-307.14665619021594	-341.90063291850674	-341.90063291850674	444.60036663508833	427.47633812748256	427.5501452221302	427.5166458028113	427.47561892225116	-341.90063291850674	444.60036663508833	427.47633812748256	427.5501452221302	427.5166458028113	427.47561892225116	427.86490647320613	427.8300587626518	427.86490647320613	427.8300587626518	-3.695265921768396	431.5192115138986	431.45579497290623	430.84945970896416	427.8300587626518	422.459984103458	416.5810768157806	410.64876346861314	431.5192115138986	431.45579497290623	430.84945970896416	427.8300587626518	422.459984103458	416.5810768157806	410.64876346861314	426.15690818588905	426.82153078118364	427.3250021311031	427.5166458028113	427.6708687536975	427.8300587626518	427.88028386682566	427.9834224116631	428.010307285854	427.9268092473241	427.7513590691846	426.15690818588905	426.82153078118364	427.32500213110313	427.5166458028113	427.6708687536975	427.8300587626518	427.88028386682566	427.9834224116631	428.010307285854	427.9268092473241	428.3834149755693	427.8996756400135	427.8300587626518	427.77816925155395	427.7368135207245	428.3834149755693	427.8996756400135	427.8300587626518	427.77816925155395	427.7368135207245	427.8300587626518	427.8300587626518	427.8300587626518	427.8300587626518	427.8300587626518	427.8300587626518	427.8300587626518	427.8300587626518	427.8300587626518	427.8300587626518	427.39746221557954	-315.0506231923486	445.4687536153262	427.65551383121107	427.6968687951553	427.7487573476065	428.3021036509425	427.39746221557954	427.39746221557954	-388.79974640215534	-388.79974640215534	426.80163977284616
1518. RIBOSE1PHOS	RIBOSE1PHOS			1569	1518		1617														0																																																	0				RIBOSE1PHOS																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1518. RIBOSE1PHOS																																											0
1519. ribose1phos 11: 2- -species	ribose1phos 11: 2- -species	ribose1phos2- -species	C5H9O8P -2	1570	1519	ribose1phos2- -species	1618		5	9	0	8	1	0	0	-2		0	20	20	228.02		-	-		-	-	-	-	-	-		-	-	-	-1575.697	-	-1587.7	-	-	-	-	-		-	-	-	-	-		-2041.48	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1575.697	-1575.697	G	0				ribose1phos 11: 2- -species	-2041.48	A	13.390276684266702	13.31407635718788	13.314076357187883	-1212.0363209010952	-1212.0363209010952		-100	-1212.0363209010952	-1212.0363209010952	-3.238755705056737	-1236.4551855529412											13.390276684266702	13.390276684266702	13.390276684266702	991.068510769102	-1556.9500739560622	624.2951260659165	737.7725550436812	856.276837785761	990.7139064232578	1136.6890883434667	1286.2175757558025	1444.0683034624192	-1556.9500739560622	-1182.8720384896442	-1185.8337848703795	-1185.8337848703795	31.127316141303027	13.31407635718788	473.21762952497056	473.21762952497056	990.7139064232578	990.7139064232578	990.7139064232578	-1575.697	33.40271765852867	13.31407635718788	469.33009188214425	-1212.044082582908							1519. ribose1phos 11: 2- -species	-1575.697	G	-1366.16033915136	-1314.7882536285426	-1263.416168105725	-1212.044082582908	-1.0110476812491271	-1160.6719970600905	-1109.2999115372731	-1057.9278260144558	-1212.044082582908	-1160.6719970600907	-1057.9278260144558	-1109.2999115372734	-1314.7881976845647	-1263.4161121617474	-1212.04402663893	-1160.6719411161127	-1109.2998555932954	-1212.0363209010952	-1170.2012817934421	-1178.571481067063	-1219.3311570453354	-1170.2012214640224	-1178.5714216373826	-1219.3311570453354	-1219.3311570453354	39.070442240416696	21.94641373281092	22.39713703891675	22.343537968006554	22.092124609845765	-1219.3311570453354	39.070442240416696	21.946413732810925	22.397137038916753	22.343537968006558	22.09212460984577	13.369832694074695	13.31407635718788	13.369832694074699	13.314076357187883	-124.6164781617274	138.0067548459941	96.44252868305884	54.87830252012359	13.31407635718788	-28.25014980574715	-69.81437596868264	-111.3786021316179	138.0067548459941	96.44252868305885	54.8783025201236	13.314076357187883	-28.250149805747146	-69.81437596868263	-111.37860213161788	41.12766387632411	33.61824100198827	26.103228840313164	22.343537968006554	18.58234320340451	13.31407635718788	11.055299903369363	3.521814752313432	-4.018396437657572	-19.120133685919484	-34.25218534456539	41.127663876324114	33.618241001988274	26.103228840313168	22.343537968006558	18.58234320340451	13.314076357187883	11.055299903369367	3.5218147523134355	-4.018396437657568	-19.120133685919484	16.275822737923228	13.674968406190693	13.31407635718788	13.046998182672588	12.835269826433752	16.27582273792323	13.674968406190697	13.314076357187883	13.046998182672592	12.835269826433755	13.31407635718788	13.31407635718788	13.31407635718788	13.31407635718788	13.31407635718788	13.314076357187883	13.314076357187883	13.314076357187883	13.314076357187883	13.314076357187883	21.967112612293477	-1186.3125319714534	30.518470920826303	12.70523113671116	12.916955835703998	13.1840293968995	16.145724618520358	470.6325891751446	21.967112612293477	-1263.4161121617474	-1263.4161121617474	33.22411003280581	-1188.6506993612109		0.8852684850879307	-0.7082147880703444	-1190.244182634369	0.001		-1575.697
1520. ribose1phos 20	ribose1phos 20			1571	1520		1619														0																																																	0				ribose1phos 20																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1520. ribose1phos 20																																											0
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1524. ribose1phos 24: phoric acid -species	ribose1phos 24: phoric acid -species	ribose1phosphoric acid -species	C5H10O8P -1	1575	1524	ribose1phosphoric acid -species	1623		5	11	0	8	1	0	0	0		0	20	20	230.02	-1628.8	-	-		-	-	-	-	-	-		-	-	-	-	-	-1625.88	-	-	-	-	-		-	-	-	-	-		-2030.18	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1628.8	-1628.8	E	0				ribose1phos 24: phoric acid -species	-2030.18	E<AX	43.785370745559796																					43.785370745559796	43.785370745559796	43.785370745559796	1021.4636048303951	-1612.6451786013752	619.0637405589794	744.4166627261541	874.7964386576439	1021.1090004845508	1178.9596755941698	1340.3636561959156	1510.0898770919425	-1612.6451786013752	-1155.4386908090864	-1155.4386908090864	-1155.4386908090864	61.52241020259612	43.70917041848097	503.61272358626366	503.61272358626366	1021.1090004845508	1021.1090004845508	1021.1090004845508	-1628.8	65.06995627961851			-1180.3768439618182							1524. ribose1phos 24: phoric acid -species	-1628.8	E	-1368.7411575454817	-1305.953053017594	-1243.1649484897061	-1180.3768439618182	-1.037094399953322	-1117.5887394339302	-1054.8006349060424	-992.0125303781547			-992.0125303781547																														43.785370745559796															69.08973045238787	62.23011963241309	55.37050881243809	51.94070340245116	48.51089799246377	43.70917041848097	41.65128717248899	34.79167635251399	27.93206553253944	14.212843892589206	0.4936222526401046
1525. RIBOSE5PHOS	RIBOSE5PHOS			1576	1525		1624														0																																																	0				RIBOSE5PHOS																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1525. RIBOSE5PHOS																																											0
1526. ribose5phos 11: 2- -species	ribose5phos 11: 2- -species	ribose5phos2- -species	C5H9O8P -2	1577	1526	ribose5phos2- -species	1625		5	9	0	8	1	0	0	-2		0	20	20	228.02	-1643.1	-	-		-	-	-	-	-	-		-	-	-	-1582.568	-	-1595.78	-	-	-	-	-		-	-2041.483	-	-	-		-2041.48	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1595.78	-1595.78	A	0				ribose5phos 11: 2- -species	-2041.48	A	-7.5010278604258005	-7.577228187504623	-7.57722818750462	-1232.1193209010953	-1232.1193209010953		-100	-1232.1193209010953	-1232.1193209010953	-3.238755705056737	-1256.5381855529413	-5.694000285310288	1.8070275751155123	2.0152496158025124	2.5114660607324772							-7.5010278604258005	-7.5010278604258005	-7.5010278604258005	970.1772062244095	-1577.8413785007547	603.403821521224	716.8812504989887	835.3855332410685	969.8226018785653	1115.7977837987742	1265.32627121111	1423.1769989177267	-1577.8413785007547	-1203.7633430343367	-1206.725089415072	-1206.725089415072	10.236011596610524	-7.577228187504623	452.32632498027806	452.32632498027806	969.8226018785653	969.8226018785653	969.8226018785653	-1595.78	13.319717658528589	-7.577228187504623	448.43878733745174	-1232.127082582908							1526. ribose5phos 11: 2- -species	-1595.78	A	-1386.24333915136	-1334.8712536285427	-1283.4991681057252	-1232.127082582908	-0.9939121313325071	-1180.7549970600905	-1129.3829115372732	-1078.010826014456	-1232.127082582908	-1180.7549970600908	-1078.010826014456	-1129.3829115372735	-1334.8711976845648	-1283.4991121617475	-1232.1270266389301	-1180.7549411161128	-1129.3828555932955	-1232.1193209010953	-1191.2946624743079	-1199.4627856117554	-1239.4141570453355	-1191.2946021448881	-1199.4627261820751	-1239.4141570453355	-1239.4141570453355	18.987442240416613	1.8634137328108373	2.314137038916666	2.2605379680064708	2.0091246098456814	-1239.4141570453355	18.987442240416613	1.8634137328108409	2.3141370389166696	2.2605379680064743	2.009124609845685	-7.521471850617807	-7.577228187504623	-7.521471850617804	-7.57722818750462	-124.6164781617274	117.11545030130159	75.55122413836634	33.98699797543109	-7.577228187504623	-49.14145435043965	-90.70568051337514	-132.2699066763104	117.1154503013016	75.55122413836635	33.986997975431095	-7.57722818750462	-49.141454350439645	-90.70568051337513	-132.2699066763104	22.72863167776615	14.545621682853596	6.357022400601551	2.2605379680064708	-1.8374503568840446	-7.577228187504623	-10.038080777495903	-18.245153049128774	-26.458951359676718	-42.90786284909251	-59.387088748892296	22.728631677766153	14.5456216828536	6.357022400601554	2.2605379680064743	-1.8374503568840446	-7.57722818750462	-10.0380807774959	-18.24515304912877	-26.458951359676714	-42.90786284909251	-4.615481806769274	-7.216336138501809	-7.577228187504623	-7.844306362019914	-8.05603471825875	-4.615481806769271	-7.216336138501806	-7.57722818750462	-7.8443063620199105	-8.056034718258747	-7.577228187504623	-7.577228187504623	-7.577228187504623	-7.577228187504623	-7.577228187504623	-7.57722818750462	-7.57722818750462	-7.57722818750462	-7.57722818750462	-7.57722818750462	1.8841126122933929	-1207.2038365161459	9.6271663761338	-8.186073407981343	-7.974348708988504	-7.707275147793002	-4.7455799261721445	450.5495891751445	1.8841126122933929	-1283.4991121617475	-1283.4991121617475	13.141110032805727	-1209.5420039059034		0.8852684850879307	-0.7082147880703444	-1211.1354871790616	0.001		-1595.78
1527. ribose5phos 12: - -species	ribose5phos 12: - -species	ribose5phos- -species	C5H10O8P -1	1578	1527	ribose5phos- -species	1626	4300-28-1	5	10	0	8	1	0	0	-1		0	20	20	229.02		-	-		-	-	-	-	-	-		-	-	-	-1620.748	-	-1633.96	-	-	-	-	-		-	-2030.183	-	-	-		-2030.18	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1633.96	-1633.96	A	0				ribose5phos 12: - -species	-2030.18	A	-3.886972710194776	-3.9631730372735987	-3.963173037273595	-1227.103650255196	-1227.103650255196		-100	-1227.103650255196	-1227.103650255196	-0.8096889262641842	-1252.333052256402		-1.8070275751155123	0.4962164449299648								-3.886972710194776	-3.886972710194776	-3.886972710194776	973.7912613746405	-1618.0128592990106	589.2046368873398	708.6198124598095	833.0618417965943	973.4366570287963	1125.3495855437102	1280.8158195507513	1444.6042938520727	-1618.0128592990106	-1202.3705976696572	-1203.111034264841	-1203.111034264841	13.850066746841549	-3.9631730372735987	455.9403801305091	455.9403801305091	973.4366570287963	973.4366570287963	973.4366570287963	-1633.96	18.33452589533772	-3.9631730372735987	452.05284248768277	-1227.112274346099							1527. ribose5phos 12: - -species	-1633.96	A	-1398.352559422157	-1341.2724643968043	-1284.1923693714516	-1227.112274346099	-0.9968324229237572	-1170.0321793207463	-1112.952084295394	-1055.8719892700412	-1227.1122743460992	-1170.0321793207465	-1055.8719892700412	-1112.952084295394	-1341.27245041081	-1284.1923553854574	-1227.1122603601048	-1170.032165334752	-1112.9520703093995	-1227.103650255196	-1186.5051211004602	-1194.6295021930066	-1235.2090237487962	-1186.5051060181052	-1194.6294873355866	-1235.2090237487962	-1235.2090237487962	23.19257553695593	6.068547029350153	6.18122785587661	6.127628784966415	6.064775445426218	-1235.2090237487962	23.19257553695593	6.068547029350157	6.181227855876614	6.127628784966419	6.064775445426221	-3.907416700386783	-3.9631730372735987	-3.9074167003867792	-3.963173037273595	-106.80323837761216	102.91626566741738	67.28978609918713	31.66330653095688	-3.9631730372735987	-39.58965260550362	-75.21613217373411	-110.84261174196436	102.91626566741739	67.28978609918714	31.663306530956884	-3.963173037273595	-39.589652605503616	-75.2161321737341	-110.84261174196435	27.14331946941053	18.73810006788084	10.331483344515988	6.127628784966415	1.9233982523426967	-3.9631730372735987	-6.486226255611879	-14.89746122632171	-23.310377706760534	-40.14153938471833	-56.98027966527124	27.143319469410535	18.738100067880843	10.331483344515991	6.127628784966419	1.9233982523426967	-3.963173037273595	-6.486226255611875	-14.897461226321706	-23.31037770676053	-40.14153938471833	-3.2227364420897615	-3.872950025023009	-3.9631730372735987	-4.029942580902478	-4.082874669962074	-3.222736442089758	-3.8729500250230053	-3.963173037273595	-4.029942580902475	-4.08287466996207	-3.9631730372735987	-3.9631730372735987	-3.9631730372735987	-3.9631730372735987	-3.9631730372735987	-3.963173037273595	-3.963173037273595	-3.963173037273595	-3.963173037273595	-3.963173037273595	5.939724071945193	-1203.2307210401095	13.600281852170156	-4.212957931944988	-4.160026757196778	-4.093258366897903	-3.3528345614926316	454.6052006347963	5.939724071945193	-1284.1923553854574	-1284.1923553854574	18.15587631163112	-1208.1814803483376		1.593483273158275	-0.1770536970175861	-1209.9520173185133	0.001		-1633.96
1528. ribose5phos 13: -blend	ribose5phos 13: -blend	ribose5phos-reactant		1579	1528	ribose5phos-reactant	1627		5	?	0	8	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	-	0				ribose5phos 13: -reactant	-	-						-1232.43										-8.068667329756455					-8.068667329756455		-8.068667329756455	-8.068667329756455	969.6095667550788	-1618.0128595262743	589.196583587916	708.5328586559358	832.2425570146547	969.303934685586	1115.7457483088774	1265.3214827273948	1423.176562069003	-1618.0128595262743	-1204.881802727953	-1207.2437566080512	-1207.2437566080512	9.717344403631335	-8.095895380483812	451.80765778729887	451.80765778729887	969.303934685586	969.303934685586	969.303934685586	-1633.960000507484	13.011782375062483	-8.095895380483812	447.92012014447255	-1232.4350178663742	1.0000040715224183	-1237	0.0020241844913911605	-1.8414930469198127	-1.843517231411204	-1237.6	1528. ribose5phos 13: -reactant	-	-	-1398.3712313334709	-1341.4531413078137	-1285.5882026288468	-1232.4350178663742	-0.9934530687518721	-1180.787569944698	-1129.3861881533326	-1078.0111538710228	-1232.4350178663742	-1180.7875699446981	-1078.0111538710228	-1129.3861881533328	-1341.4531243725505	-1285.5881705782047	-1232.4349668237217	-1180.787514548436	-1129.3861322647776	-1232.4271554583993	-1191.6299928655849	-1199.7926241948064	-1239.831498236248	-1191.6299382608975	-1199.7925703181334	-1239.831498236248	-1239.831498236248	18.570101049504157	1.4460725418983809	1.8413043365751562	1.787705265664961	1.5680235139652785	-1239.831498236248	18.570101049504157	1.4460725418983844	1.8413043365751598	1.7877052656649646	1.568023513965282	-8.040139043596996	-8.095895380483812	-8.040139043596993	-8.095895380483809	-110.97687969775005	102.9082123679936	67.20283229531347	30.84402174901732	-8.095895380483812	-49.19348984033621	-90.71046899709037	-132.27034352503415	102.90821236799361	67.20283229531347	30.844021749017323	-8.095895380483809	-49.193489840336206	-90.71046899709037	-132.27034352503415	22.342622571471107	14.126315442548847	5.902504143999321	1.787705265664961	-2.3290619111995547	-8.095895380483812	-10.568610942552676	-18.816347509382663	-27.07245156679547	-43.61035607792741	-60.18326192852282	22.34262257147111	14.12631544254885	5.902504143999325	1.7877052656649646	-2.3290619111995547	-8.095895380483809	-10.568610942552672	-18.81634750938266	-27.072451566795465	-43.61035607792741	-5.733941500385685	-7.7884173158440735	-8.095895380483812	-8.32637602627334	-8.5107709533959	-5.733941500385681	-7.78841731584407	-8.095895380483809	-8.326376026273337	-8.510770953395896	-8.095895380483812	-8.095895380483812	-8.095895380483812	-8.095895380483812	-8.095895380483812	-8.095895380483809	-8.095895380483809	-8.095895380483809	-8.095895380483809	-8.095895380483809	1.4430050978642588	-1207.6585802215143	9.172422670765481	-8.640817113349662	-8.456425765571256	-8.225949584554316	-5.864039619788555	450.10848166071537	1.4430050978642588									0.001		-
1529. ribose5phos 20	ribose5phos 20			1580	1529		1628														0																																																	0				ribose5phos 20																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1529. ribose5phos 20																																											0
1530. ribose5phos 21: 3- -species	ribose5phos 21: 3- -species	ribose5phos3- -species	C5H8O8P 3-	1581	1530	ribose5phos3- -species	1629		5	8	0	8	1	0	0	-3		0	20	20	227.02		-	-		-	-	-	-	-	-		-	-	-	-1508.068	-	-	-	-	-	-	-		-	-2015.983	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1508.068	-1508.068	G	0				ribose5phos 21: 3- -species	-2052	X	38.89822390965819	38.82202358257937	38.39861254786534	-1189.2223693995231	-1189.2223693995231		-100	-1189.2223693995231	-1189.2223693995231	-7.287200336377658	-1212.8306967020092	18.33258056742596	-20.56564334223223	3.4391929926936676E-4	135.42540494965814		16.151345092234102	-22.74687881742409	1.034949704998133E-4	81.1180963746906		38.89822390965819	38.89822390965819	38.89822390965819	1016.5764579944935	-1486.1757175918162	667.616313075423	775.1559954584827	887.7225316058573	1016.2218536486492	1156.2592889741532	1299.850029791784	1451.7630109036954	-1486.1757175918162	-1153.6619082883335	-1160.325837644988	-1160.325837644988	56.63526336669452	38.82202358257937	498.72557675036205	498.72557675036205	1016.2218536486492	1016.2218536486492	1016.2218536486492	-1508.068	56.217531569191124	38.39861254786533	494.4146280728217	-1189.2292686722456							1530. ribose5phos 21: 3- -species	-1508.068	G	-1326.2214967330917	-1280.5574207128097	-1234.8933446925275	-1189.2292686722456	-1.0327087677156543	-1143.5651926519633	-1097.9011166316814	-1052.2370406113992	-1189.2292686722458	-1143.5651926519636	-1052.2370406113992	-1097.9011166316816	-1280.5572948388594	-1234.8932188185775	-1189.2291427982955	-1143.5650667780133	-1097.9009907577313	-1189.2223693995231	-1146.37506319309	-1154.9455764102804	-1195.7066681944034	-1146.3749274518957	-1154.9454426935	-1195.7066681944034	-1195.7066681944034	62.694931091348735	45.57090258374296	46.58503002248085	46.531430951570655	45.96575089570888	-1195.7066681944034	62.694931091348735	45.57090258374296	46.58503002248085	46.531430951570655	45.96575089570888	38.45436888475215	38.39861254786533	38.45436888475216	38.39861254786534	-142.00630691112838	180.90453082078656	133.4025580631463	85.90058530550604	38.39861254786533	-9.1033602097747	-56.605332967415414	-104.1073057250558	180.90453082078656	133.4025580631463	85.90058530550606	38.39861254786534	-9.103360209774696	-56.60533296741541	-104.10730572505578	63.41348461896092	56.67017500223527	49.914289488995706	46.531430951570655	43.14518865648195	38.39861254786533	36.36223308193257	29.56478334258638	22.752200015682178	9.079074908154041	-4.6622576227400465	63.41348461896093	56.670175002235275	49.914289488995706	46.531430951570655	43.14518865648195	38.39861254786534	36.36223308193258	29.564783342586384	22.75220001568218	9.079074908154041	45.06254190451987	39.21061965812155	38.39861254786533	37.79768665520587	37.321297853668604	45.062541904519875	39.21061965812156	38.39861254786534	37.79768665520588	37.32129785366861	38.39861254786533	38.39861254786533	38.39861254786533	38.39861254786533	38.39861254786533	38.39861254786534	38.39861254786534	38.39861254786534	38.39861254786534	38.39861254786534	45.84080452470516	-1161.8264296571183	55.00457323516139	37.19133345104625	37.667714023780135	38.268629536470016	44.932443785117	494.50628108755626	45.84080452470516	-1259.1365926244416	-1259.1365926244416	37.503629570111514	-1159.7624547468217		-0.1770536970175861	-1.593483273158275	-1161.1788843229624			-1508.068
1531. ribose5phos 22: 2- -species	ribose5phos 22: 2- -species	ribose5phos2- -species	C5H9O8P -2	1582	1531	ribose5phos2- -species	1630		5	9	0	8	1	0	0	-2		0	20	20	228.02	-1643.1	-	-		-	-	-	-	-	-		-	-	-	-1582.568	-	-1595.78	-	-	-	-	-		-	-2041.483	-	-	-		-2041.48	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1582.568	-1582.568	G	-758.5592	-181.3	-824.0088	-824.0088	ribose5phos 22: 2- -species	-2041.48	A	6.242731321194334	6.1665309941155115	6.166530994115515	-1218.9073209010953	-1218.9073209010953		-100	-1218.9073209010953	-1218.9073209010953	-3.238755705056737	-1243.3261855529413		12.089849246231626	108.66772459264924				9.908613771039768	54.439487573592906			6.242731321194334	6.242731321194334	6.242731321194334	983.9209654060296	-1564.0976193191345	617.1475807028442	730.6250096806089	849.1292924226886	983.5663610601854	1129.5415429803943	1279.0700303927301	1436.9207580993468	-1564.0976193191345	-1190.0195838527166	-1192.981330233452	-1192.981330233452	23.97977077823066	6.1665309941155115	466.0700841618982	466.0700841618982	983.5663610601854	983.5663610601854	983.5663610601854	-1582.568	26.531717658528578	6.1665309941155115	462.1825465190719	-1218.915082582908							1531. ribose5phos 22: 2- -species	-1582.568	G	-1373.03133915136	-1321.6592536285427	-1270.2871681057252	-1218.915082582908	-1.0051215473582997	-1167.5429970600906	-1116.1709115372732	-1064.798826014456	-1218.915082582908	-1167.5429970600908	-1064.798826014456	-1116.1709115372735	-1321.6591976845648	-1270.2871121617475	-1218.9150266389302	-1167.5429411161128	-1116.1708555932955	-1218.9073209010953	-1177.4179634972827	-1185.7190264301353	-1226.2021570453355	-1177.417903167863	-1185.718967000455	-1226.2021570453355	-1226.2021570453355	32.1994422404166	15.075413732810826	15.526137038916655	15.47253796800646	15.22112460984567	-1226.2021570453355	32.1994422404166	15.07541373281083	15.526137038916659	15.472537968006463	15.221124609845674	6.2222873310023274	6.1665309941155115	6.222287331002331	6.166530994115515	-124.6164781617274	130.85920948292173	89.29498331998647	47.73075715705122	6.1665309941155115	-35.39769516881952	-76.96192133175501	-118.52614749469026	130.85920948292173	89.29498331998649	47.73075715705123	6.166530994115515	-35.39769516881951	-76.961921331755	-118.52614749469025	34.83280004939121	27.09292270582863	19.347456074926555	15.47253796800646	11.59611596879093	6.1665309941155115	3.8386181995288133	-3.9253214207538605	-11.695987079951607	-27.25863326666746	-42.851593863767306	34.83280004939122	27.092922705828634	19.34745607492656	15.472537968006463	11.59611596879093	6.166530994115515	3.838618199528817	-3.925321420753857	-11.695987079951603	-27.25863326666746	9.12827737485086	6.5274230431183256	6.1665309941155115	5.899452819600221	5.687724463361384	9.128277374850864	6.527423043118329	6.166530994115515	5.899452819600224	5.687724463361388	6.1665309941155115	6.1665309941155115	6.1665309941155115	6.1665309941155115	6.1665309941155115	6.166530994115515	6.166530994115515	6.166530994115515	6.166530994115515	6.166530994115515	15.096112612293382	-1193.4600773345257	23.370925557753935	5.5576857736387915	5.76941047263163	6.036484033827133	8.99817925544799	463.7615891751445	15.096112612293382	-1259.1365926244416	-1259.1365926244416	37.503629570111514	-1195.7982447242832		0.8852684850879307	-0.7082147880703444	-1197.3917279974414	0.001		-1582.568
1532. ribose5phos 23: - -species	ribose5phos 23: - -species	ribose5phos- -species	C5H10O8P -1	1583	1532	ribose5phos- -species	1631	4300-28-1	5	10	0	8	1	0	0	-1		0	20	20	229.02		-	-		-	-	-	-	-	-		-	-	-	-1620.748	-	-1633.96	-	-	-	-	-		-	-2030.183	-	-	-		-2030.18	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1620.748	-1620.748	G	0				ribose5phos 23: - -species	-2030.18	A	9.856786471425359	9.780586144346536	9.78058614434654	-1213.891650255196	-1213.891650255196		-100	-1213.891650255196	-1213.891650255196	-0.8096889262641842	-1239.121052256402		8.475794096000602	26.757336437709633				6.294558620808743	12.669484941664106			9.856786471425359	9.856786471425359	9.856786471425359	987.5350205562606	-1604.2691001173905	602.9483960689599	722.3635716414296	846.8056009782144	987.1804162104164	1139.0933447253303	1294.5595787323714	1458.3480530336928	-1604.2691001173905	-1188.626838488037	-1189.3672750832209	-1189.3672750832209	27.593825928461683	9.780586144346536	469.6841393121292	469.6841393121292	987.1804162104164	987.1804162104164	987.1804162104164	-1620.748	31.54652589533771	9.780586144346536	465.7966016693029	-1213.900274346099							1532. ribose5phos 23: - -species	-1620.748	G	-1385.140559422157	-1328.0604643968043	-1270.9803693714516	-1213.900274346099	-1.008119931002351	-1156.8201793207463	-1099.740084295394	-1042.6599892700413	-1213.9002743460992	-1156.8201793207465	-1042.6599892700413	-1099.740084295394	-1328.06045041081	-1270.9803553854574	-1213.9002603601048	-1156.8201653347521	-1099.7400703093995	-1213.891650255196	-1172.6284221234353	-1180.8857430113865	-1221.9970237487962	-1172.6284070410802	-1180.8857281539665	-1221.9970237487962	-1221.9970237487962	36.40457553695592	19.280547029350142	19.3932278558766	19.339628784966404	19.276775445426207	-1221.9970237487962	36.40457553695592	19.280547029350146	19.393227855876603	19.339628784966408	19.27677544542621	9.836342481233352	9.780586144346536	9.836342481233356	9.78058614434654	-106.80323837761216	116.66002484903751	81.03354528080726	45.407065712577015	9.780586144346536	-25.84589342388349	-61.47237299211397	-97.09885256034423	116.66002484903753	81.03354528080727	45.40706571257702	9.78058614434654	-25.845893423883485	-61.47237299211396	-97.09885256034421	39.24748784103582	31.285401090855874	23.321917018840765	19.339628784966404	15.356964578017898	9.780586144346536	7.390472721413065	-0.577629597946796	-8.547413427035423	-24.492309802293278	-40.44478478014693	39.24748784103583	31.285401090855878	23.321917018840768	19.339628784966408	15.356964578017898	9.78058614434654	7.390472721413069	-0.5776295979467925	-8.54741342703542	-24.492309802293278	10.521022739530373	9.870809156597126	9.780586144346536	9.713816600717657	9.660884511658061	10.521022739530377	9.87080915659713	9.78058614434654	9.71381660071766	9.660884511658065	9.780586144346536	9.780586144346536	9.780586144346536	9.780586144346536	9.780586144346536	9.78058614434654	9.78058614434654	9.78058614434654	9.78058614434654	9.78058614434654	19.151724071945182	-1189.4869618584894	27.34404103379029	9.530801249675147	9.583732424423356	9.650500814722232	10.390924620127503	467.8172006347963	19.151724071945182	-1259.1365926244416	-1259.1365926244416	37.503629570111514	-1194.4377211667174		1.593483273158275	-0.1770536970175861	-1196.2082581368932	0.001		-1620.748
1533. ribose5phos 24: -blend	ribose5phos 24: -blend	ribose5phos-reactant		1584	1533	ribose5phos-reactant	1632		5	?	0	8	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	-	0				ribose5phos 24: -reactant	-	-																5.6750853030455986					5.6750853030455986		5.6750853030455986	5.6750853030455986	983.3533193878809	-1604.2691003446541	602.9403427695246	722.2766178362062	845.9863160753821	983.0476900441796	1129.4894568612174	1279.0646758234043	1436.9141068706485	-1604.2691003446541	-1191.1380442204481	-1193.5000012494577	-1193.5000012494577	23.461099762224872	5.647859978109725	465.5514131458924	465.5514131458924	983.0476900441796	983.0476900441796	983.0476900441796	-1620.748000507484	26.22376858423661			-1219.2230316572002		-1237		-7.1711482411823635		-1237.6	1533. ribose5phos 24: -reactant	-	-	-1385.159231333588	-1328.2411413187897	-1272.3762033011362	-1219.2230316572002	-1.0046546736369735	-1167.5757240506414	-1116.1757470912053	-1064.8147177527555			-1064.8147177527555																																													34.446770073117946	26.673602690317935	18.89292870739828	14.999697850018618	11.104498375219334	5.647859266048927	3.308084021806433	-4.496518553936081	-12.309489072435218	-27.96112729922536	-43.64776741009151																																						448.6654765628511										0.001		-
1534. ribose5phos 30	ribose5phos 30			1585	1534		1633														0																																																	0				ribose5phos 30																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1534. ribose5phos 30																																											0
1535. ribose5phos 31: -Mg	ribose5phos 31: -Mg	Mg-ribose5phos	MgC5H9O8P	1586	1535	Mg-ribose5phos	1634		5	9	0	8	1	0	1	0		-2	18	20	252.33		-	-		-	-	-	-	-	-		-	-	-	-2051.568	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-2051.568	-2051.568	G	0				ribose5phos 31: -Mg	-2430	X<-see ATP effect Mg	9.607638666658524	9.5314383395797	9.531438339579704	-1665.3080953004956	-1209.0080953004956		-100	-1219.0080953004956	-1209.0080953004956	0	-1236.663401340279							6.543706425575579	14.009020364463087			9.607638666658524	9.607638666658524	9.607638666658524	987.2858727514938	-2036.336794231092	620.5124880483081	733.9899170260728	852.4941997681526	986.9312684056496	1132.9064503258583	1282.434937738194	1440.2856654448108	-2036.336794231092	-1662.258758764674	-1662.258758764674	-1189.6164228879877	27.344678123694848	9.5314383395797	469.4349915073624	469.4349915073624	986.9312684056496	986.9312684056496	986.9312684056496	-2051.568	36.43320163226963	9.5314383395797	465.54745386453607	-1209.013598609167							1535. ribose5phos 31: -Mg	-2051.568	G	-1363.129855177619	-1311.7577696548017	-1260.3856841319841	-1209.013598609167	-1.0079466754366626	-1157.6415130863495	-1106.2694275635322	-1054.8973420407149	-1209.013598609167	-1157.6415130863497	-1054.8973420407149	-1106.2694275635324	-1311.7577696548017	-1260.3856841319844	-1209.013598609167	-1157.6415130863497	-1106.2694275635324	-1209.0080953004956	-1170.7847969881132	-1178.41619068653	-1216.3029314447358	-1170.7847969881132	-1178.434819072108	-1216.3029314447358	-1219.5393728326733	38.86222645307885	21.738197945473072	21.738197945473072	21.684598874562877	21.684598874562877	-1219.5393728326733	38.86222645307885	21.738197945473075	21.738197945473075	21.68459887456288	21.68459887456288	9.587194676466517	9.5314383395797	9.58719467646652	9.531438339579704	-124.61647816172717	134.2241168283857	92.65989066545043	51.095664502515184	9.5314383395797	-32.032787823355555	-73.59701398629105	-115.1612401492263	134.2241168283857	92.65989066545045	51.09566450251519	9.531438339579704	-32.03278782335555	-73.59701398629103	-115.16124014922629	47.00368332244426	36.87604954329184	26.74841576413897	21.684598874562877	16.620781984986554	9.5314383395797	6.493148205833453	-3.6344855733187416	-13.76211935247116	-34.017386910777134	-54.27265446908231	47.00368332244427	36.87604954329185	26.748415764138972	21.68459887456288	16.620781984986554	9.531438339579704	6.493148205833457	-3.634485573318738	-13.762119352471156	-34.017386910777134	9.5314383395797	9.5314383395797	9.5314383395797	9.5314383395797	9.5314383395797	9.531438339579704	9.531438339579704	9.531438339579704	9.531438339579704	9.531438339579704	-8.281801444535539	3.5936917448744694	9.5314383395797	15.469184934284705	21.40693152898971	-8.281801444535535	3.593691744874473	9.531438339579704	15.469184934284709	21.406931528989713	21.559534375772046	-1186.1759294061785	30.655073486101173	12.84183370198603	9.40134022017683	9.40134022017683	9.40134022017683	470.22501093862314	21.559534375772046	-1259.1365926244416	-1259.1365926244416	37.503629570111514	-1188.5469744363616		2.301698061228619	0	-1190.84867249759			-2051.568
1536. ribose5phos 32: -blend	ribose5phos 32: -blend	ribose5phos-reactant		1587	1536	ribose5phos-reactant	1635		5	?	0	8	1	0	1	?																																																						0				ribose5phos 32: -reactant					0		0				0		0					5.6750853030455986					5.6750853030455986		5.6750853030455986	5.6750853030455986	983.3533193878809	-1604.2691003446541	602.9403427695246	722.2766178362062	845.9863160753821	983.0476900441796	1129.4894568612174	1279.0646758234043	1436.9141068706485	-1604.2691003446541	-1191.1380442204481	-1193.5000012494577	-1193.5000012494577	23.461099762224872	5.647859978109725	465.5514131458924	465.5514131458924	983.0476900441796	983.0476900441796	983.0476900441796	-1620.748000507484	26.22376858423661	5.647859266048927	461.6638747910053	-1219.2230316572002							1536. ribose5phos 32: -reactant			-1385.159231333588	-1328.2411413187897	-1272.3762033011362	-1219.2230316572002	-1.0046546736369735	-1167.5757240506414	-1116.1757470912053	-1064.8147177527555	-1219.2230316572002	-1167.5757240506416	-1064.8147177527555	-1116.1757470912055	-1328.241124383526	-1272.3761712504688	-1219.2229806141313	-1167.5756686499985	-1116.175691158653	-1219.2151692545842	-1177.7533017778899	-1186.0488738278918	-1226.6195077548825	-1177.7532471729442	-1186.048819950935	-1226.6195077548825	-1226.6195077548825	31.78209153086965	14.658063023263875	15.053296920928814	14.999697850018618	14.780014987575294	-1226.6195077548825	31.78209153086965	14.658063023263878	15.053296920928817	14.999697850018622	14.780014987575298	5.703615602935743	5.647859266048927	5.703615602935745	5.647859266048929	-110.97688624655441	116.6519715496	80.94659147533264	44.587780787227665	5.647859266048927	-35.44979071788689	-76.96738132361504	-118.53395446959239	116.65197154960002	80.94659147533264	44.58778078722767	5.647859266048929	-35.449790717886884	-76.96738132361503	-118.53395446959237	34.446770073117946	26.673602690317935	18.89292870739828	14.999697850018618	11.104498375219334	5.647859266048927	3.308084021806433	-4.496518553936081	-12.309489072435218	-27.96112729922536	-43.64776741009151	34.44677007311795	26.673602690317935	18.892928707398283	14.999697850018622	11.104498375219334	5.647859266048929	3.3080840218064367	-4.4965185539360775	-12.309489072435214	-27.96112729922536	8.009816881561342	5.955338165824234	5.647859266048927	5.417377889298999	5.232982303885908	8.009816881561346	5.955338165824237	5.647859266048929	5.417377889299004	5.23298230388591	5.647859266048927	5.647859266048927	5.647859266048927	5.647859266048927	5.647859266048927	5.647859266048929	5.647859266048929	5.647859266048929	5.647859266048929	5.647859266048929	14.65499657172207	-1193.914826964037	22.916175928242673	5.102936144127529	5.287328150164884	5.5178050621086605	7.879718762158472	463.32047313457315	14.65499657172207	-1272.3761712504688	-1272.3761712504688	8.921127549998866
1537. ribose5phos 33: -omniblend	ribose5phos 33: -omniblend	ribose5phos-omnireactant		1588	1537	ribose5phos-omnireactant	1636		5	?	0	8	1	0	?	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	-	0				ribose5phos 33: -omnireactant	-	-																					5.254082831629182		5.254082831629182	5.254082831629182	982.9323169164645	-2036.336794231092	602.9382746236755	722.2547266764741	845.8129892163395	982.5777125706202	1128.9323670687493	1278.4981094760392	1436.3478053934566	-2036.336794231092	-1662.258758764674	-1662.258758764674	-1193.969978723017	22.991122288665508	5.177882504550359	465.08143567233304	465.08143567233304	982.5777125706202	982.5777125706202	982.5777125706202	-2051.568	26.183760802745486	5.177881915461786	461.19389744041814	-1219.2630394386913		-1237		-7.155009283946169		-1237.6	1537. ribose5phos 33: -omnireactant	-	-	-1385.15957399031	-1328.2443492584298	-1272.3957874318653	-1219.2630394386913	-1.0043092283302937	-1167.620387505332	-1116.2209113286106	-1064.8596828173409	-1219.2630394386913	-1167.6203875053322	-1064.8596828173409	-1116.2209113286108	-1328.2443323450677	-1272.395755633407	-1219.2629892128007	-1167.6203330939172	-1116.2208564058806	-1219.2552148214945	-1177.8980776670435	-1186.1603744084907	-1226.6578362062703	-1177.8980261598283	-1186.1611451868548		-1226.7580836698758	31.643515615876264	14.519487108270491	14.891534303392906	14.83793523248271	14.631568475861448							5.233638252348602	5.177881915461786			-111.39582057212169	116.64990340375087	80.92470031560268	44.41445392970562	5.177881915461786	-36.00687861244003	-77.53392613207475	-119.10001995402448								34.43117361197412	26.633482908662856	18.790817836408962	14.83793523248271	10.850173088475781	5.177881915461786	2.702538031436779	-5.821067292664264	-14.8590002572411	-34.22394348299315	-54.30653096541149											6.93738429532522	5.42946082257863	5.177881915461786	4.985704512709908	4.829872983116438						-8.29077803623694	2.695544827534004	5.177881915461786	5.601134424609031	5.643563677704563						14.506547381416691	-1194.021750435235	22.80925245704475	4.996012672929604	4.85564704154231	5.047820127307894	6.80728617592235	463.1720239442678	14.506547381416691	-1272.395755633407	-1272.395755633407	8.881118951329434						0.001	0	-
1538. ribose5phos 34: phoric acid -species	ribose5phos 34: phoric acid -species	ribose5phosphoric acid -species	C5H11O8P	1589	1538	ribose5phosphoric acid -species	1637	4300-28-1	5	11	0	8	1	0	0	0		0	20	20	230.02	-1643.1	-	-		-	-	-	-	-	-		-	-	-	-1620.748	-	-1633.96	-	-	-	-	-		-	-2030.183	-	-	-		-2030.18	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1643.1	-1643.1	E	0				ribose5phos 34: phoric acid -species	-2030.18	<AX	28.909821525368763																					28.909821525368763	28.909821525368763	28.909821525368763	1006.588055610204	-1627.5207278215662	604.1881913387883	729.541113505963	859.9208894374528	1006.2334512643598	1164.084126373979	1325.4881069757248	1495.2143278717515	-1627.5207278215662	-1170.3142400292775	-1170.3142400292775	-1170.3142400292775	46.64686098240509	28.83362119828994	488.7371743660726	488.7371743660726	1006.2334512643598	1006.2334512643598	1006.2334512643598	-1643.1	50.769956279618555			-1194.6768439618181							1538. ribose5phos 34: phoric acid -species	-1643.1	E	-1383.0411575454816	-1320.2530530175939	-1257.4649484897059	-1194.6768439618181	-1.0241988632084784	-1131.8887394339304	-1069.1006349060424	-1006.3125303781546			-1006.3125303781546																														28.909821525368763															55.988791327785805	48.6495561576521	41.31032098751794	37.64070340245098	33.97108581738401	28.83362119828994	26.631850647249852	19.292615477116144	11.953380306981984	-2.7250900332870174	-17.403560373554885
1539. ribose5phos 35: -Ni	ribose5phos 35: -Ni	Ni-ribose5phos	NiC5H9O8P	1590	1539	Ni-ribose5phos	1638		5	9	0	8	1	0	0	0	Ni	-2	18	18	228.02		-	-		-	-	-	-	-	-		-	-	-	-1643.068	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1643.068	-1643.068	G	0				ribose5phos 35: -Ni	-2430	X<-see ATP effect Mg	-38.0933086472236	-38.169508974302424	-38.16950897430242	-1276.1685651960386	-1276.1685651960386		-100	-1276.1685651960386	-1276.1685651960386	0	-1300.5874298478846											-38.0933086472236	-38.0933086472236	-38.0933086472236	939.5849254376117	-1611.3954056682878	572.8115407344262	686.2889697121909	804.7932524542707	939.2303210917675	1085.2055030119764	1234.7339904243122	1392.5847181309289	-1611.3954056682878	-1237.3173702018698	-1237.3173702018698	-1237.3173702018698	-20.356269190187277	-38.169508974302424	421.73404419348026	421.73404419348026	939.2303210917675	939.2303210917675	939.2303210917675	-1643.068	-30.729526636414676	-38.169508974302424	417.84650655065394	-1276.1763268778514							1539. ribose5phos 35: -Ni	-1643.068	G	-1430.2925834463033	-1378.920497923486	-1327.5484124006684	-1276.1763268778514	-0.9701504346657029	-1224.8042413550338	-1173.4321558322165	-1122.0600703093992	-1276.1763268778514	-1224.804241355034	-1122.0600703093992	-1173.4321558322167	-1378.920497923486	-1327.5484124006687	-1276.1763268778514	-1224.804241355034	-1173.4321558322167	-1276.1685651960386	-1217.922555053934	-1229.576259867799	-1283.4634013402788	-1217.922555053934	-1229.576259867799	-1283.4634013402788	-1283.4634013402788	-25.06180205452665	-42.18583056213242	-42.18583056213242	-42.23942963304262	-42.23942963304262	-1283.4634013402788	-25.06180205452665	-42.18583056213242	-42.18583056213242	-42.23942963304262	-42.23942963304262	-38.11375263741561	-38.169508974302424	-38.1137526374156	-38.16950897430242	-124.6164781617274	86.52316951450379	44.95894335156854	3.3947171886332868	-38.169508974302424	-79.73373513723746	-121.29796130017294	-162.8621874631082	86.5231695145038	44.95894335156855	3.3947171886332903	-38.16950897430242	-79.73373513723745	-121.29796130017293	-162.8621874631082	-50.71843100541918	-47.32683045646833	-43.93522990751816	-42.23942963304262	-40.543629358567316	-38.169508974302424	-37.15202880961715	-33.7604282606663	-30.36882771171591	-23.585626613815805	-16.802425515914226	-50.71843100541917	-47.32683045646832	-43.93522990751816	-42.23942963304262	-40.543629358567316	-38.16950897430242	-37.15202880961714	-33.7604282606663	-30.368827711715905	-23.585626613815805	-38.169508974302424	-38.169508974302424	-38.169508974302424	-38.169508974302424	-38.169508974302424	-38.16950897430242	-38.16950897430242	-38.16950897430242	-38.16950897430242	-38.16950897430242	-38.169508974302424	-38.169508974302424	-38.169508974302424	-38.169508974302424	-38.169508974302424	-38.16950897430242	-38.16950897430242	-38.16950897430242	-38.16950897430242	-38.16950897430242	-42.36449413183345	-1237.3173702018698	-20.48636730959015	-38.29960709370529	-38.29960709370529	-38.29960709370529	-38.29960709370529	406.30098243101764	-42.36449413183345	-1327.5484124006687	-1327.5484124006687	-30.908190206115478	-1242.3878162853662		1.593483273158275	0	-1243.9812995585244			-1643.068
1540. RIBULOSE	RIBULOSE			1591	1540		1639														0																																																	0				RIBULOSE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1540. RIBULOSE																																											0
1541. ribulose -species (a0)	ribulose -species (a0)	ribulose-species (a0)	C5H10O5	1592	1541	ribulose-species (a0)	1640	488-84-6	5	10	0	5	0	0	0	0		0	20	20	150.05		-	-		-	-	-	-	-	-		-	-	-	-735.936	-	-735.94	-	-	-	-	-		-	-1023.015	-	-	-		-1023.02	-	-	-	-	-	-	-	-	-	-	231.297	-	-	0.001	-17.813239784115144	-735.94	-735.94	A	-746.844	-178.5	10.903999999999996		ribulose -species (a0)	-1023.02	A	434.09178763878117	434.04416243435685	434.04416243435685	-328.2739613289319	-328.2739613289319	-328.28	0.0018395217956435062	-328.2739613289318	-328.2739613289318	0	-353.50336333013774											434.09178763878117	434.09178763878117	434.09178763878117	951.6417995991524	-724.3855475431831	569.6174343786305	689.0039623096241	813.1516883104439	951.540439332644	1098.612880977116	1248.2704836240507	1406.1333214592596	-724.3855475431831	-308.7432859138296	-308.7432859138296	-308.7432859138296	451.857402218472	434.04416243435685	434.04416243435685	434.04416243435685	951.540439332644	951.540439332644	951.540439332644	-735.94	450.12166473106316	434.04416243435685	434.04416243435685	-328.2825854198348	1.0000078756544255						1541. ribulose -species (a0)	-735.94	A	-499.52287049589256	-442.44277547053997	-385.3626804451874	-328.2825854198348	-2.3223113467430165	-271.2024903944822	-214.12239536912955	-157.04230034377701	-328.28258541983496	-271.20249039448237	-157.04230034377701	-214.12239536912978	-442.44277547054014	-385.36268044518755	-328.28258541983496	-271.20249039448237	-214.12239536912978	-328.2739613289319	-293.1028210607281	-300.14205220930666	-336.379334822532	-293.1028210607281	-300.14205220930666	-336.379334822532	-336.379334822532	450.1216647310631	432.99763622345733	432.99763622345733	432.96413680413843	432.96413680413843	-336.379334822532	450.1216647310631	432.99763622345733	432.99763622345733	432.96413680413843	432.96413680413843	434.0790101449112	434.04416243435685	434.0790101449112	434.04416243435685	0.04762520442420737	434.04416243435696	434.04416243435696	434.04416243435696	434.04416243435685	434.0441624343571	434.04416243435696	434.04416243435696	434.04416243435696	434.04416243435696	434.04416243435696	434.04416243435685	434.0441624343571	434.04416243435696	434.04416243435696	430.7140834078495	431.61410476636513	432.5141261248806	432.96413680413843	433.41414748339605	434.04416243435685	434.3141688419116	435.2141902004273	436.11421155894277	437.9142542759732	439.7142969930044	430.7140834078495	431.61410476636513	432.51412612488065	432.96413680413843	433.41414748339605	434.04416243435685	434.3141688419116	435.2141902004273	436.11421155894277	437.9142542759732	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	434.04416243435685	432.8859714923942	-308.7432859138296	451.7760908938452	433.9628511097301	433.9628511097301	433.9628511097301	433.9628511097301	432.8859714923942	432.8859714923942	-385.36268044518755	-385.36268044518755	450.01	-314.37711489549224		1.7705369701758613	0	-316.1476518656681	0.001		-735.94
1542. RIBULOSE5PHOS	RIBULOSE5PHOS			1593	1542		1641														0																																																	0				RIBULOSE5PHOS																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1542. RIBULOSE5PHOS																																											0
1543. ribulose5phos 11: 2- -species	ribulose5phos 11: 2- -species	ribulose5phos2- -species	C5H9O8P 1-	1594	1543	ribulose5phos2- -species	1642		5	9	0	8	1	0	0	-2		0	20	20	228.02		-	-		-	-	-	-	-	-		-	-	-	-1581.368	-	-1595.32	-	-	-	-	-		-	-2023.755	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1581.368	-1581.368	G	0				ribulose5phos 11: 2- -species	-2041.48	X	7.49102915785361	7.414828830774788	7.414828830774791	-1217.7073209010953	-1217.7073209010953		-100	-1217.7073209010953	-1217.7073209010953	-3.238755705056737	-1242.126185552941											7.49102915785361	7.49102915785361	7.49102915785361	985.1692632426889	-1562.8493214824753	618.3958785395034	731.8733075172681	850.3775902593479	984.8146588968447	1130.7898408170536	1280.3183282293894	1438.169055936006	-1562.8493214824753	-1188.7712860160573	-1191.7330323967926	-1191.7330323967926	25.228068614889935	7.414828830774788	467.31838199855747	467.31838199855747	984.8146588968447	984.8146588968447	984.8146588968447	-1581.368	27.73171765852885	7.414828830774788	463.43084435573115	-1217.7150825829078							1543. ribulose5phos 11: 2- -species	-1581.368	G	-1371.83133915136	-1320.4592536285425	-1269.0871681057254	-1217.7150825829078	-1.006151709266805	-1166.3429970600905	-1114.9709115372732	-1063.5988260144559	-1217.715082582908	-1166.3429970600907	-1063.5988260144559	-1114.9709115372734	-1320.4591976845647	-1269.0871121617474	-1217.71502663893	-1166.3429411161128	-1114.9708555932955	-1217.7073209010953	-1176.1575912014584	-1184.470728593476	-1225.0021570453353	-1176.1575308720387	-1184.4706691637957	-1225.0021570453353	-1225.0021570453353	33.399442240416874	16.2754137328111	16.726137038916928	16.672537968006733	16.421124609845943	-1225.0021570453353	33.399442240416874	16.275413732811103	16.72613703891693	16.672537968006736	16.421124609845947	7.4705851676616035	7.414828830774788	7.470585167661607	7.414828830774791	-124.6164781617274	132.107507319581	90.54328115664575	48.9790549937105	7.414828830774788	-34.14939733216024	-75.71362349509573	-117.27784965803099	132.107507319581	90.54328115664576	48.979054993710506	7.414828830774791	-34.149397332160234	-75.71362349509572	-117.27784965803097	35.93217955635083	28.232550410004468	20.52733197631838	16.672537968006733	12.816240067399196	7.414828830774788	5.098990495353068	-2.6247009277133913	-10.35511838969515	-25.837268181978345	-41.34973238464599	35.93217955635084	28.23255041000447	20.527331976318383	16.672537968006736	12.816240067399196	7.414828830774791	5.098990495353071	-2.6247009277133877	-10.355118389695146	-25.837268181978345	10.376575211510136	7.775720879777602	7.414828830774788	7.147750656259497	6.93602230002066	10.37657521151014	7.775720879777605	7.414828830774791	7.1477506562595	6.936022300020664	7.414828830774788	7.414828830774788	7.414828830774788	7.414828830774788	7.414828830774788	7.414828830774791	7.414828830774791	7.414828830774791	7.414828830774791	7.414828830774791	16.296112612293655	-1192.2117794978665	24.61922339441321	6.8059836102980675	7.0177083092909065	7.284781870486409	10.246477092107266	464.96158917514475	16.296112612293655	-1269.0871121617474	-1269.0871121617474	27.553110032805762	-1194.549946887624		0.8852684850879307	-0.7082147880703444	-1196.1434301607821	0.001		-1581.368
1544. ribulose5phos 20	ribulose5phos 20			1595	1544		1643														0																																																	0				ribulose5phos 20																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1544. ribulose5phos 20																																											0
1545. ribulose5phos 21: 2- -species	ribulose5phos 21: 2- -species	ribulose5phos2- -species	C5H9O8P 1-	1596	1545	ribulose5phos2- -species	1644		5	9	0	8	1	0	0	-2		0	20	20	228.02		-	-		-	-	-	-	-	-		-	-	-	-1581.368	-	-1595.32	-	-	-	-	-		-	-2023.755	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1595.32	-1595.32	A	0				ribulose5phos 21: 2- -species	-2041.48	X	-7.02251368970601	-7.098714016784832	-7.098714016784829	-1231.6593209010953	-1231.6593209010953		-100	-1231.6593209010953	-1231.6593209010953	-3.238755705056737	-1256.0781855529412	-5.215486114590611	1.8070275751153986	2.0152496158024236	2.51146606073241							-7.02251368970601	-7.02251368970601	-7.02251368970601	970.6557203951293	-1577.362864330035	603.8823356919436	717.3597646697083	835.8640474117881	970.301116049285	1116.2762979694937	1265.8047853818298	1423.6555130884462	-1577.362864330035	-1203.284828863617	-1206.2465752443522	-1206.2465752443522	10.714525767330315	-7.098714016784832	452.80483915099785	452.80483915099785	970.301116049285	970.301116049285	970.301116049285	-1595.32	13.779717658528625	-7.098714016784832	448.91730150817153	-1231.667082582908							1545. ribulose5phos 21: 2- -species	-1595.32	A	-1385.78333915136	-1334.4112536285427	-1283.0391681057251	-1231.667082582908	-0.9942983669946108	-1180.2949970600905	-1128.9229115372732	-1077.5508260144559	-1231.667082582908	-1180.2949970600907	-1077.5508260144559	-1128.9229115372734	-1334.4111976845647	-1283.0391121617474	-1231.66702663893	-1180.2949411161128	-1128.9228555932955	-1231.6593209010953	-1190.8115197609084	-1198.9842714410358	-1238.9541570453355	-1190.8114594314886	-1198.9842120113556	-1238.9541570453355	-1238.9541570453355	19.44744224041665	2.3234137328108737	2.7741370389167024	2.720537968006507	2.469124609845718	-1238.9541570453355	19.44744224041665	2.3234137328108773	2.774137038916706	2.7205379680065107	2.4691246098457214	-7.0429576798980165	-7.098714016784832	-7.042957679898013	-7.098714016784829	-124.61647816172717	117.59396447202116	76.0297383090859	34.46551214615065	-7.098714016784832	-48.66294017972009	-90.22716634265558	-131.79139250559084	117.59396447202117	76.02973830908591	34.46551214615066	-7.098714016784829	-48.66294017972008	-90.22716634265556	-131.79139250559084	23.150060488767455	14.982478969454395	6.809308162801614	2.720537968006507	-1.3697361190840347	-7.098714016784832	-9.554938064096856	-17.746581860130007	-25.94495169507823	-42.36300623329504	-58.81137518189561	23.15006048876746	14.982478969454398	6.809308162801617	2.7205379680065107	-1.3697361190840347	-7.098714016784829	-9.554938064096852	-17.746581860130004	-25.944951695078228	-42.36300623329504	-4.136967636049484	-6.737821967782018	-7.098714016784832	-7.365792191300123	-7.57752054753896	-4.13696763604948	-6.737821967782015	-7.098714016784829	-7.36579219130012	-7.577520547538956	-7.098714016784832	-7.098714016784832	-7.098714016784832	-7.098714016784832	-7.098714016784832	-7.098714016784829	-7.098714016784829	-7.098714016784829	-7.098714016784829	-7.098714016784829	2.3441126122934293	-1206.725322345426	10.105680546853591	-7.7075592372615525	-7.4958345382687135	-7.228760977073211	-4.267065755452354	451.0095891751445	2.3441126122934293	-1283.0391121617474	-1283.0391121617474	13.601110032805764	-1209.0634897351838		0.8852684850879307	-0.7082147880703444	-1210.656973008342	0.001		-1595.32
1546. ribulose5phos 22: - -species	ribulose5phos 22: - -species	ribulose5phos- -species	C5H10O8P 2-	1597	1546	ribulose5phos- -species	1645		5	10	0	8	1	0	0	-1		0	20	20	229.02		-	-		-	-	-	-	-	-		-	-	-	-	-	-1633.5	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1633.5	-1633.5	A	0				ribulose5phos 22: - -species	-2030.18	X	-3.4084585394752125	-3.4846588665540352	-3.029854238011371	-1226.643650255196	-1226.643650255196		-100	-1226.643650255196	-1226.643650255196	-0.8096889262641842	-1251.873052256402		-1.8070275751153986	0.4962164449299867								-3.4084585394752125	-3.4084585394752125	-3.4084585394752125	974.2697755453601	-1617.534345128291	589.6831510580594	709.0983266305291	833.5403559673139	973.9151711995158	1125.8280997144298	1281.2943337214706	1445.0828080227923	-1617.534345128291	-1201.8920834989376	-1202.6325200941214	-1202.6325200941214	14.328580917561112	-3.4846588665540352	456.41889430122865	456.41889430122865	973.9151711995158	973.9151711995158	973.9151711995158	-1633.5	18.794525895337756	-3.0298542380113744	452.986161286945	-1226.652274346099							1546. ribulose5phos 22: - -species	-1633.5	A	-1397.8925594221569	-1340.8124643968042	-1283.7323693714516	-1226.652274346099	-0.9972213327193379	-1169.5721793207463	-1112.4920842953939	-1055.4119892700412	-1226.6522743460991	-1169.5721793207465	-1055.4119892700412	-1112.4920842953939	-1340.81245041081	-1283.7323553854574	-1226.6522603601047	-1169.572165334752	-1112.4920703093994	-1226.643650255196	-1185.4534726013826	-1193.6961833937444	-1234.7490237487962	-1185.4534575190276	-1193.6961685363244	-1234.7490237487962	-1234.7490237487962	23.652575536955965	6.5285470293501895	6.641227855876647	6.587628784966451	6.524775445426254	-1234.7490237487962	23.652575536955965	6.528547029350193	6.64122785587665	6.587628784966455	6.524775445426258	-2.9740979011245585	-3.0298542380113744	-2.974097901124555	-3.029854238011371	-107.25804300615482	103.8495844666796	68.22310489844935	32.596625330219105	-3.0298542380113744	-38.6563338062414	-74.28281337447189	-109.90929294270214	103.84958446667962	68.22310489844936	32.59662533021911	-3.029854238011371	-38.65633380624139	-74.28281337447187	-109.90929294270212	26.61723863761478	18.606451568803312	10.594267178156684	6.587628784966451	2.5806144187020728	-3.0298542380113744	-5.434577756534278	-13.451380394525657	-21.46986454224603	-37.51216155476692	-53.56203716988338	26.617238637614783	18.606451568803315	10.594267178156688	6.587628784966455	2.5806144187020728	-3.029854238011371	-5.434577756534274	-13.451380394525653	-21.469864542246025	-37.51216155476692	-2.2894176428275372	-2.9396312257607846	-3.0298542380113744	-3.096623781640254	-3.1495558706998494	-2.2894176428275337	-2.939631225760781	-3.029854238011371	-3.0966237816402504	-3.149555870699846	-3.0298542380113744	-3.0298542380113744	-3.0298542380113744	-3.0298542380113744	-3.0298542380113744	-3.029854238011371	-3.029854238011371	-3.029854238011371	-3.029854238011371	-3.029854238011371	6.399724071945229	-1202.2974022408473	14.53360065143238	-3.279639132682764	-3.226707957934554	-3.1599395676356785	-2.4195157622304073	455.0652006347963	6.399724071945229	-1283.7323553854574	-1283.7323553854574	18.615876311631155	-1207.7029661776178		1.593483273158275	-0.1770536970175861	-1209.4735031477935	0.001		-1633.5
1547. ribulose5phos 23: -blend	ribulose5phos 23: -blend	ribulose5phos-reactant		1598	1547	ribulose5phos-reactant	1646		5	?	0	8	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				ribulose5phos 23: -reactant	-	X						-1231.97										-7.590153159036709					-7.590153159036709		-7.590153159036709	-7.590153159036709	970.0880809257985	-1617.5343453555547	589.6750977586356	709.0113728266554	832.7210711853743	969.7824488563058	1116.2242624795972	1265.7999968981144	1423.6550762397223	-1617.5343453555547	-1204.4032885572333	-1206.7652424373314	-1206.7652424373314	10.195858574351083	-7.617381209764064	452.2861719580186	452.2861719580186	969.7824488563058	969.7824488563058	969.7824488563058	-1633.500000507484	13.471782375062519	-7.53766677347414	448.4783487514822	-1231.9750178663742	1.0000040730426667	-1232.6	0.0020241844913911605	-0.25211495244271315	-0.25413913693410434	-1233.2	1547. ribulose5phos 23: -reactant	-	A	-1397.9112313334708	-1340.9931413078136	-1285.1282026288468	-1231.9750178663742	-0.9938390364666795	-1180.3275699446979	-1128.9261881533325	-1077.5511538710227	-1231.9750178663742	-1180.327569944698	-1077.5511538710227	-1128.9261881533328	-1340.9931243725505	-1285.1281705782046	-1231.9749668237216	-1180.327514548436	-1128.9261322647776	-1231.9671554583992	-1191.081726212776	-1199.2617946460807	-1239.371498236248	-1191.0816705560421	-1199.2617399371966	-1239.371498236248	-1239.371498236248	19.030101049504193	1.9060725418984172	2.3013043365751926	2.2477052656649974	2.028023513965315	-1239.371498236248	19.030101049504193	1.9060725418984208	2.301304336575196	2.247705265665001	2.0280235139653184	-7.481910436587324	-7.53766677347414	-7.48191043658732	-7.537666773474136	-111.43006575894867	103.83991259991197	68.11900382060837	31.640686658361417	-7.53766677347414	-48.70632932950592	-90.23115282609284	-131.791756135135	103.83991259991197	68.11900382060838	31.640686658361425	-7.537666773474136	-48.70632932950591	-90.23115282609282	-131.791756135135	22.602989842243932	14.46568105338365	6.322016509754639	2.2477052656649974	-1.8283098283955863	-7.53766677347414	-9.98560569316763	-18.150179897761323	-26.32234171159277	-42.690663746994105	-59.09303129645194	22.602989842243936	14.465681053383653	6.322016509754643	2.247705265665001	-1.8283098283955863	-7.537666773474136	-9.985605693167626	-18.15017989776132	-26.322341711592763	-42.690663746994105	-5.099753494675612	-7.222757495306267	-7.53766677347414	-7.773319113649708	-7.961619557320631	-5.099753494675609	-7.222757495306263	-7.537666773474136	-7.773319113649705	-7.961619557320628	-7.53766677347414	-7.53766677347414	-7.53766677347414	-7.53766677347414	-7.53766677347414	-7.537666773474136	-7.537666773474136	-7.537666773474136	-7.537666773474136	-7.537666773474136	1.9030050978642952	-1207.1094277530117	9.72157513926811	-8.091664644847034	-7.903367801686118	-7.667719960384634	-5.229851614078482	450.5684816607154	1.9030050978642952	-1285.1281705782046	-1285.1281705782046	-3.8308586595915117						0.001		-
1548. ribulose5phos 24: phoric acid?	ribulose5phos 24: phoric acid?	ribulose5phosphoric acid?	C5H10O8P	1599	1548	ribulose5phosphoric acid?	1647		5	11	0	8	1	0	0	0		0	20	20	230.02	-1641.5	-	-		-	-	-	-	-	-		-	-	-	-	-	-1633.5	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1641.5	-1641.5	E	0				ribulose5phos 24: phoric acid?	-2041.48	X	31.029023269457277																					31.029023269457277	31.029023269457277	31.029023269457277	1008.7072573542926	-1625.4015260774777	606.3073930828768	731.6603152500516	862.0400911815414	1008.3526530084483	1166.2033281180675	1327.6073087198133	1497.33352961584	-1625.4015260774777	-1168.195038285189	-1168.195038285189	-1168.195038285189	48.7660627264936	30.952822942378454	490.85637611016114	490.85637611016114	1008.3526530084483	1008.3526530084483	1008.3526530084483	-1641.5	52.369956279618464			-1193.0768439618182							1548. ribulose5phos 24: phoric acid?	-1641.5	E	-1381.4411575454817	-1318.653053017594	-1255.864948489706	-1193.0768439618182	-1.0260075647486544	-1130.2887394339305	-1067.5006349060425	-1004.7125303781547			-1004.7125303781547																														31.029023269457277															56.5071210276015	49.60055397754125	42.693986927481006	39.24070340245089	35.78741987742076	30.952822942378454	28.88085282736029	21.974285777300267	15.06771872724002	1.2545846271186178	-12.558549473001424
1549. SERINE	SERINE			1600	1549		1648														0																																																	0				SERINE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1549. SERINE																																											0
1550. serineL-cation ?	serineL-cation ?	serineL-cation ?	C3H7NO3	1601	1550	serineL-cation ?	1650	56-45-1	3	8	1	3	0	0	0	1		-2	10	18	106.03999999999999	-533	-	-		-510.87	-	-	-	-	-		-	-	-	-	-	-510.87	-	-	-732.7	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-533	-533	E	0				serineL-cation ?	-480	X<-pyruvate	235.2159664737625																					235.2159664737625	235.2159664737625	235.2159664737625	475.2359029724936	-535.1331544524568	210.38987435350475	293.897284301511	380.2614130914131	475.1701568941433	575.2891150702364	676.9591698478074	783.5523657383428	-535.1331544524568	-202.619345148974	-203.35978174415783	-203.35978174415783	253.00063113522316	235.187391351108	235.187391351108	235.187391351108	545.6851574900803	212.74412979118839	475.1701568941433	-533	259.35879282840676			-207.68375726213196							1550. serineL-cation ?	-533	E	-344.6759853229782	-299.0119093026961	-253.34783328241406	-207.68375726213196	-2.1325679464517786	-162.01968124184987	-116.35560522156783	-70.69152920128573			-70.69152920128573																														235.2159664737625															252.20244138682625	247.6057199504222	243.00760119218327	240.70799561519664	238.40801406513623	235.187391351108	233.80688752230728	229.2041505167233	224.59973200141056	215.38556625370487	206.16382190340332
1551. serineL-species	serineL-species	serineL-species	C3H7NO3	1602	1551	serineL-species	1649	56-45-1	3	7	1	3	0	0	0	0		-2	10	18	105.03999999999999		-	-		-510.87	-	-	-	-	-		-	-	-	-	-	-510.87	-	-	-732.7	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-510.87	-510.87	AT	-517.5608000000001	-123.7	6.690800000000081		serineL-species	-480	X<-pyruvate	217.4128695104047	217.3842943877502	217.3842943877502	-225.5037729302523	-225.5037729302523	-225.51	0.0027614037968248795	-225.50377293025232	-225.50377293025232	0	-248.30156288337815											217.4128695104047	217.4128695104047	217.4128695104047	457.4328060091358	-512.112461848063	210.40001717426208	287.9696805275633	368.3960627227604	457.3670599307855	551.5482715121736	647.2805796950395	747.9360289908699	-512.112461848063	-221.16287870751563	-221.16287870751563	-221.16287870751563	235.19753417186536	217.3842943877502	217.3842943877502	217.3842943877502	527.8820605267225	194.94103282783058	457.3670599307855	-510.87	241.53274029665437	217.3842943877502	217.3842943877502	-225.50980979388436	0.9999991565513031	-236.3	-7.672828264531326E-5	-4.352713692599321	-4.352636964316675	-237	1551. serineL-species	-510.87	AT	-345.37800934712476	-305.42194282937794	-265.4658763116312	-225.50980979388436	-1.9640949531602185	-185.55374327613754	-145.59767675839072	-105.6416102406439	-225.50980979388447	-185.55374327613765	-105.6416102406439	-145.59767675839083	-305.42194282937805	-265.4658763116313	-225.50980979388447	-185.55374327613765	-145.59767675839083	-225.5037729302523	-212.54719795230335	-215.14201511434953	-231.17753437577238	-212.54719795230335	-215.14201511434953	-231.17753437577238	-231.17753437577238	240.72306535638467	223.5990368487789	223.5990368487789	223.5789371971876	223.5789371971876	-231.17753437577238	240.72306535638467	223.5990368487789	223.5990368487789	223.5789371971876	223.5789371971876	217.40520301408273	217.3842943877502	217.40520301408273	217.3842943877502	17.841814906769685	199.57105460363502	205.50880119834014	211.44654779304526	217.3842943877502	223.32204098245532	229.25978757716032	235.19753417186539	199.57105460363502	205.50880119834014	211.44654779304526	217.3842943877502	223.32204098245532	229.25978757716032	235.19753417186539	236.484443050182	231.32224070898434	226.16003836778643	223.5789371971876	220.99783602658871	217.3842943877502	215.83563368539086	210.67343134419315	205.5112290029954	195.1868243205995	184.8624196382041	236.484443050182	231.32224070898434	226.16003836778643	223.5789371971876	220.99783602658871	217.3842943877502	215.83563368539086	210.67343134419315	205.5112290029954	195.1868243205995	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	217.3842943877502	223.53203801014098	-221.16287870751563	235.14874737708925	217.3355075929741	217.3355075929741	217.3355075929741	217.3355075929741	223.53203801014098	223.53203801014098	-265.4658763116313	-265.4658763116313	241.46574145801645	-225.10655899467943		1.2393758791231027	0	-226.34593487380255	0.001		-510.87
1552. SORBITOL	SORBITOL			1603	1552		1651														0																																																	0				SORBITOL																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1552. SORBITOL																																											0
1553. sorbitol species	sorbitol species	sorbitol-species	C6H14O6	1605	1553	sorbitol-species	1653	50-70-4	6	14	0	6	0	0	0	0		2	26	26	182.06		-	-		-942.7	-	-	-	-	-225.31	-942.69704	-	-	-	-	-	-946.36	-	-	-	-	-		-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-942.7	-942.7	T	0				sorbitol species	-1263.3	X<-sorbose	547.0674745285536	547.0103242832446	547.0103242832446	-371.96754586050463	-371.96754586050463		-100	-371.9675458605047	-371.9675458605047	0	-400.43909725915057											547.0674745285536	547.0674745285536	547.0674745285536	1168.127488880999	-929.7964279724971	674.0717710481425	829.2110977547449	990.0638621451391	1168.0058565611894	1356.3682797239653	1547.8328960896974	1749.143794681358	-929.7964279724971	-347.89726169140226	-347.89726169140226	-347.89726169140226	564.8235640673597	547.0103242832446	547.0103242832446	547.0103242832446	1168.0058565611894	1168.0058565611894	1168.0058565611894	-942.7	562.1054805933087	547.0103242832446	547.0103242832446	-371.97961958776875		-374.7		-1.0973890953920937		-376.3	1553. sorbitol species	-942.7	T	-611.7160186942496	-531.8038856587559	-451.89175262326233	-371.97961958776875	-2.4706920640835612	-292.0674865522751	-212.15535351678147	-132.24322048128784	-371.979619587769	-292.06748655227534	-132.24322048128784	-212.1553535167817	-531.8038856587561	-451.89175262326256	-371.979619587769	-292.06748655227534	-212.1553535167817	-371.96754586050463	-326.8187762500704	-335.85553450507007	-383.3150687515448	-326.8187762500704	-335.85553450507007	-383.3150687515448	-383.3150687515448	560.4861307127693	543.3621022051635	543.3621022051635	543.3219029019809	543.3219029019809	-383.3150687515448	560.4861307127693	543.3621022051635	543.3621022051635	543.3219029019809	543.3219029019809	547.0521415359096	547.0103242832446	547.0521415359096	547.0103242832446	35.683629813539255	511.38384471501433	523.2593379044245	535.1348310938347	547.0103242832446	558.8858174726548	570.7613106620648	582.636803851475	511.38384471501433	523.2593379044245	535.1348310938347	547.0103242832446	558.8858174726548	570.7613106620648	582.636803851475	641.5659157393127	602.2683106043801	562.9707054694471	543.3219029019809	523.6731003345145	496.1647767400616	484.3754951995819	445.0778900646491	405.7802849297166	327.1850746598505	248.58986438998525	535.6376916910148	538.7113761754014	541.7850606597875	543.3219029019809	544.8587451441741	547.0103242832446	547.9324296285605	551.006114112947	554.0797985973334	560.2271675661059	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	547.0103242832446	543.2281045278877	-347.89726169140226	564.7259904778075	546.9127506936924	546.9127506936924	546.9127506936924	546.9127506936924	543.2281045278877	543.2281045278877	-451.89175262326256	-451.89175262326256	561.9714829160329	-355.78462226572987		2.4787517582462053	0	-358.2633740239761	0.001		-942.7
1554. sorbitol -species	sorbitol -species	sorbitol-species	C6H14O6	1604	1554	sorbitol-species	1652	50-70-4	6	14	0	6	0	0	0	0		2	26	26	182.06		-	-		-942.7	-	-	-	-	-225.31	-942.69704	-	-	-	-	-	-946.36	-	-	-	-	-		-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	`	-	-	0.001	-17.813239784115144	-946.36	-946.36	A	-944.3288	-225.7	-2.0312000000000126		sorbitol -species	-1263.3	X<-sorbose	543.2601661267424	543.2030158814334	543.2030158814334	-375.6275458605046	-375.6275458605046	-375.64	0.0033155554305386303	-375.62754586050465	-375.62754586050465	0	-404.09909725915054											543.2601661267424	543.2601661267424	543.2601661267424	1164.320180479188	-933.6037363743083	670.2644626463313	825.4037893529337	986.2565537433279	1164.198548159378	1352.5609713221543	1544.0255876878862	1745.336486279547	-933.6037363743083	-351.7045700932134	-351.7045700932134	-351.7045700932134	561.0162556655486	543.2030158814334	543.2030158814334	543.2030158814334	1164.198548159378	1164.198548159378	1164.198548159378	-946.36	558.4454805933087	543.2030158814334	543.2030158814334	-375.6396195877687	0.9999989872957319	-374.7	-1.534565652906265E-4	0.3790382715586813	0.37919172812397195	-376.3	1554. sorbitol -species	-946.36	A	-615.3760186942495	-535.463885658756	-455.5517526232623	-375.6396195877687	-2.446227015997201	-295.7274865522751	-215.81535351678144	-135.9032204812878	-375.63961958776895	-295.7274865522753	-135.9032204812878	-215.81535351678167	-535.4638856587562	-455.55175262326253	-375.63961958776895	-295.7274865522753	-215.81535351678167	-375.6275458605046	-330.66291175233437	-339.6628429068812	-386.97506875154477	-330.66291175233437	-339.6628429068812	-386.97506875154477	-386.97506875154477	556.8261307127693	539.7021022051636	539.7021022051636	539.661902901981	539.661902901981	-386.97506875154477	556.8261307127693	539.7021022051636	539.7021022051636	539.661902901981	539.661902901981	543.2448331340985	543.2030158814334	543.2448331340985	543.2030158814334	35.68362981353937	507.57653631320306	519.4520295026133	531.3275226920235	543.2030158814334	555.0785090708437	566.9540022602537	578.8294954496638	507.57653631320306	519.4520295026133	531.3275226920235	543.2030158814334	555.0785090708437	566.9540022602537	578.8294954496638	532.2845841947881	535.2355116776654	538.1864391605421	539.661902901981	541.1373666434196	543.2030158814334	544.0882941262965	547.0392216091739	549.9901490920508	555.8920040578048	561.7938590235592	532.2845841947881	535.2355116776654	538.1864391605421	539.661902901981	541.1373666434196	543.2030158814334	544.0882941262965	547.0392216091739	549.9901490920508	555.8920040578048	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	543.2030158814334	539.5681045278877	-351.7045700932134	560.9186820759963	543.1054422918812	543.1054422918812	543.1054422918812	543.1054422918812	539.5681045278877	539.5681045278877	-455.55175262326253	-455.55175262326253	558.3114829160329	-359.591930667541		2.4787517582462053	0	-362.07068242578725	0.001		-946.36
1555. sorbitol -species	sorbitol -species	sorbitol-species	C6H14O6	1606	1555	sorbitol-species	1654	50-70-4	6	14	0	6	0	0	0	0		2	26	26	182.06	-945.1	-	-		-942.7	-	-	-	-	-225.31	-942.69704	-	-	-	-	-	-946.36	-	-	-	-	-		-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-945.1	-945.1	E	0				sorbitol -species	-1263.3	X<-sorbose	544.5708788552348																					544.5708788552348	544.5708788552348	544.5708788552348	1165.6308932076804	-932.2930236458159	671.5751753748237	826.7145020814261	987.5672664718203	1165.5092608878704	1353.8716840506468	1545.3363004163784	1746.6471990080393	-932.2930236458159	-350.39385736472104	-350.39385736472104	-350.39385736472104	562.3269683940409	544.5137286099258	544.5137286099258	544.5137286099258	1165.5092608878704	1165.5092608878704	1165.5092608878704	-945.1	559.7054805933087			-374.37961958776873							1555. sorbitol -species	-945.1	E	-614.1160186942495	-534.203885658756	-454.2917526232623	-374.37961958776873	-2.4545954169590334	-294.4674865522751	-214.55535351678145	-134.6432204812878			-134.6432204812878																														544.5708788552348															533.4389326770956	536.4321207670499	539.4253088570036	540.921902901981	542.418496946958	544.5137286099258	545.411685036912	548.4048731268663	551.3980612168202	557.3844373967281	563.3708135766365
1556. SORBITOL6PHOS	SORBITOL6PHOS			1607	1556		1655														0																																																	0				SORBITOL6PHOS																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1556. SORBITOL6PHOS																																											0
1557. sorbitol6phos 11: 2- -species	sorbitol6phos 11: 2- -species	sorbitol6phos2- -species	C6H13O9P -2	1608	1557	sorbitol6phos2- -species	1656		6	13	0	9	1	0	0	-2		2	26	26	260.03		-	-		-	-	-	-	-	-		-	-	-	-	-	-1793.1	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1793.1	-1793.1	A	0				sorbitol6phos 11: 2- -species	-2200	X<-riboses	112.00390940667384	111.91818403871011	111.91818403871012	-1266.372905432668	-1266.372905432668		-100	-1266.372905432668	-1266.372905432668	-3.238755705056737	-1294.033919481954	114.83412916693109	2.8302197602572505	2.9967381394716437	3.3304342962457256							112.00390940667384	112.00390940667384	112.00390940667384	1193.1921458835834	-1776.7230085527417	714.3874085680629	863.6176363214365	1018.8269574530907	1192.8172694844375	1380.0824329229504	1571.4179340540836	1772.716722517152	-1776.7230085527417	-1236.3880684345822	-1239.3498148153176	-1239.3498148153176	129.73142382282526	111.91818403871011	571.8217372064928	571.8217372064928	1192.8172694844375	1192.8172694844375	1192.8172694844375	-1793.1	134.74353352077424	111.91818403871011	567.9341995636664	-1266.384116750842							1557. sorbitol6phos 11: 2- -species	-1793.1	A	-1488.996487349717	-1414.7923638167586	-1340.5882402838001	-1266.384116750842	-1.0884438678005863	-1192.1799932178835	-1117.975869684925	-1043.7717461519667	-1266.384116750842	-1192.1799932178835	-1043.7717461519667	-1117.9758696849253	-1414.7923078727808	-1340.5881843398224	-1266.384060806864	-1192.1799372739056	-1117.9758137409474	-1266.372905432668	-1219.2090546919917	-1228.6470175301918	-1276.9098909743482	-1219.208994362572	-1228.6469581005115	-1276.9098909743482	-1276.9098909743482	138.79190822212308	121.66787971451731	122.11860302062314	122.05830406584914	121.80689070768835	-1276.9098909743482	138.79190822212308	121.66787971451731	122.11860302062314	122.05830406584914	121.80689070768835	111.98090991770786	111.91818403871011	111.98090991770788	111.91818403871012	-88.98047355261201	200.98438295928585	171.29564998576083	141.6069170122358	111.91818403871011	82.22945106518509	52.54071809165962	22.851985118134486	200.98438295928585	171.29564998576083	141.6069170122358	111.91818403871012	82.2294510651851	52.54071809165963	22.85198511813449	143.15630167483397	134.72133012023096	126.28076927828889	122.05830406584914	117.8343349611135	111.91818403871011	109.3817429808114	100.92270914948874	92.456949279251	75.50411467045495	58.52096565127502	143.15630167483397	134.72133012023096	126.28076927828889	122.05830406584914	117.8343349611135	111.91818403871012	109.3817429808114	100.92270914948874	92.456949279251	75.50411467045495	114.87993041944546	112.27907608771292	111.91818403871011	111.65110586419482	111.43937750795598	114.87993041944547	112.27907608771294	111.91818403871012	111.65110586419483	111.439377507956	111.91818403871011	111.91818403871011	111.91818403871011	111.91818403871011	111.91818403871011	111.91818403871012	111.91818403871012	111.91818403871012	111.91818403871012	111.91818403871012	121.66624564778704	-1239.8285619163914	129.1063163374231	111.29307655330796	111.5048012523008	111.7718748134963	114.73357003511715	570.3317222106382	121.66624564778704	-1340.5881843398224	-1340.5881843398224	134.54259294883877	-1244.420260898814		1.593483273158275	-0.7082147880703444	-1246.7219589600425	0.001		-1793.1
1558. sorbitol6phos 12: - -species	sorbitol6phos 12: - -species	sorbitol6phos- -species	C6H14O9P -1	1609	1558	sorbitol6phos- -species	1657		6	14	0	9	1	0	0	-1		2	26	26	261.03		-	-		-	-	-	-	-	-		-	-	-	-	-	-1829.75	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1829.75	-1829.75	A	0				sorbitol6phos 12: - -species	-2200	X<-riboses	117.66434892718834	117.57862355922461	117.57862355922462	-1259.8272347867687	-1259.8272347867687		-100	-1259.8272347867687	-1259.8272347867687	-0.8096889262641842	-1288.2987861854147		-2.8302197602572505	0.3336961567740819								117.66434892718834	117.66434892718834	117.66434892718834	1198.852585404098	-1814.8481049807142	702.2346083044622	857.4025826525408	1018.5496503789	1198.477709004952	1391.6806190381699	1588.9538667640084	1796.1904018217815	-1814.8481049807142	-1232.9489386996192	-1233.689375294803	-1233.689375294803	135.39186334333976	117.57862355922461	577.4821767270073	577.4821767270073	1198.477709004952	1198.477709004952	1198.477709004952	-1829.75	141.28834175758334	117.57862355922461	573.5946390841809	-1259.8393085140328							1558. sorbitol6phos 12: - -species	-1829.75	A	-1499.5757076205136	-1419.6635745850201	-1339.7514415495266	-1259.8393085140328	-1.0933963150157398	-1179.9271754785393	-1100.0150424430458	-1020.1029094075519	-1259.8393085140333	-1179.9271754785395	-1020.1029094075519	-1100.0150424430458	-1419.663560599026	-1339.7514275635324	-1259.8392945280389	-1179.927161492545	-1100.0150284570514	-1259.8272347867687	-1212.2440328552898	-1221.7673497411595	-1271.1747576778089	-1212.2440177729347	-1221.7673348837395	-1271.1747576778089	-1271.1747576778089	144.52704151866237	127.4030130110566	127.51569383758306	127.45539488280906	127.39254154326886	-1271.1747576778089	144.52704151866237	127.4030130110566	127.51569383758306	127.45539488280906	127.39254154326886	117.64134943822236	117.57862355922461	117.64134943822238	117.57862355922462	-71.16723376849677	188.8315826956851	165.0805963168651	141.32960993804508	117.57862355922461	93.8276371804046	70.07665080158435	46.32566442276411	188.8315826956851	165.0805963168651	141.32960993804508	117.57862355922462	93.82763718040461	70.07665080158436	46.32566442276412	148.02518869505462	139.79832804240414	131.57007006791824	127.45539488280906	123.3403437246255	117.57862355922461	115.10907796554966	106.87620174371948	98.6416440121603	82.16719983196157	65.68517704916738	148.02518869505462	139.79832804240414	131.57007006791824	127.45539488280906	123.3403437246255	117.57862355922462	115.10907796554966	106.87620174371948	98.6416440121603	82.16719983196157	118.31906015440845	117.6688465714752	117.57862355922461	117.51185401559573	117.45892192653614	118.31906015440846	117.66884657147521	117.57862355922462	117.51185401559574	117.45892192653615	117.57862355922461	117.57862355922461	117.57862355922461	117.57862355922461	117.57862355922461	117.57862355922462	117.57862355922462	117.57862355922462	117.57862355922462	117.57862355922462	127.25185710743881	-1233.8090620700716	135.12581618374293	117.31257639962779	117.365507574376	117.43227596467487	118.17269977008014	575.91733367029	127.25185710743881	-1339.7514275635324	-1339.7514275635324	141.0873592276639	-1241.0133529709647		2.301698061228619	-0.1770536970175861	-1243.4921047292107	0.001		-1829.75
1559. sorbitol6phos 13: -blend	sorbitol6phos 13: -blend	sorbitol6phos-reactant		1610	1559	sorbitol6phos-reactant	1658		6	?	0	9	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				sorbitol6phos 13: -reactant	-	X<-riboses						-1266.55										111.73165140421557					111.73165140421557		111.73165140421557	111.73165140421557	1192.9198878811253	-1814.8481054995632	702.2162605751627	857.2083537281492	1016.9661462611484	1192.5766371815407	1380.0595060488195	1571.415835487925	1772.7165311613894	-1814.8481054995632	-1236.9407188054247	-1239.5904471182141	-1239.5904471182141	129.49079151992865	111.6775517358135	571.5811049035962	571.5811049035962	1192.5766371815407	1192.5766371815407	1192.5766371815407	-1829.7500009407338	134.57268296685064	111.6775517358135	567.6935672607699	-1266.5549673047656	1.000003921917623	-1267.4	0.0020037881682890544	-0.34088234896514563	-0.34288613713343474	-1268.5	1559. sorbitol6phos 13: -reactant	-	A	-1499.6102096026655	-1419.9887195724073	-1341.923265422677	-1266.5549673047656	-1.0882169777771122	-1192.1976179865555	-1117.9776378113418	-1043.7719230213697	-1266.5549673047656	-1192.1976179865555	-1043.7719230213697	-1117.977637811342	-1419.9887004287941	-1341.9232269501786	-1266.554914155168	-1192.197562339833	-1117.9775818972803	-1266.5436985603628	-1219.354028297491	-1228.7969191641432	-1277.1437072421368	-1219.3539705383298	-1228.7968623498807	-1277.1437072421368	-1277.1437072421368	138.55809195433454	121.43406344672877	121.85240023800802	121.79210128323402	121.55924440138874	-1277.1437072421368	138.55809195433454	121.43406344672877	121.85240023800802	121.79210128323402	121.55924440138874	111.74027761481125	111.6775517358135	111.74027761481126	111.67755173581351	-77.08158356217001	188.81323496638558	164.88636739247355	139.74610582029354	111.6775517358135	82.20652419105419	52.53861952550092	22.85179376237194	188.81323496638558	164.88636739247355	139.74610582029354	111.67755173581351	82.2065241910542	52.53861952550093	22.851793762371944	142.83087092481938	134.42057951040792	126.00337448969245	121.79210128323402	117.57900593533364	111.6775517358135	109.1472237903019	100.70777814930338	92.26041949961567	75.34096823168925	58.386888167618885	142.83087092481938	134.42057951040792	126.00337448969245	121.79210128323402	117.57900593533364	111.67755173581351	109.1472237903019	100.70777814930338	92.26041949961567	75.34096823168925	114.32728004860301	112.01212695817101	111.6775517358135	111.42833895020244	111.2298655847443	114.32728004860303	112.01212695817102	111.67755173581351	111.42833895020246	111.22986558474432	111.6775517358135	111.6775517358135	111.6775517358135	111.6775517358135	111.6775517358135	111.67755173581351	111.67755173581351	111.67755173581351	111.67755173581351	111.67755173581351	121.4185955979301	-1240.0380774519112	128.89680080190328	111.08356101778813	111.28203074331182	111.5312389611234	114.18091966427471	570.0840721607813	121.4185955979301	-1341.9232269501786	-1341.9232269501786	117.24771109292901						0.001		-
1560. sorbitol6phos 14: phoric acid -species	sorbitol6phos 14: phoric acid -species	sorbitol6phosphoric acid -species	C6H15O9P	1611	1560	sorbitol6phosphoric acid -species	1659		6	15	0	9	1	0	0	0		2	26	26	262.03	-1839.5	-	-		-	-	-	-	-	-		-	-	-	-	-	-1829.75	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1839.5	-1839.5	E	0				sorbitol6phos 14: phoric acid -species	-2200	X<-riboses	149.82659176244974																					149.82659176244974	149.82659176244974	149.82659176244974	1231.0148282393593	-1824.990524903572	716.5836113556086	877.6893322983922	1044.7741466194564	1230.6399518402134	1429.7806084681365	1632.9916027886798	1846.1658844411581	-1824.990524903572	-1201.5271324595417	-1201.5271324595417	-1201.5271324595417	167.55410617860116	149.740866394486	609.6444195622687	609.6444195622687	1230.6399518402134	1230.6399518402134	1230.6399518402134	-1839.5	173.11377214186405			-1228.0138781297521							1560. sorbitol6phos 14: phoric acid -species	-1839.5	E	-1484.8743057438387	-1399.2541632058098	-1313.634020667781	-1228.0138781297521	-1.1220072463599788	-1142.3937355917233	-1056.7735930536942	-971.1534505156654			-971.1534505156654																														149.82659176244974															176.3118093040585	169.13047338255274	161.9491374610465	158.35846950029372	154.76780153954005	149.740866394486	147.58646561803403	140.4051296965285	133.22379377502224	118.8611219320091	104.49845008899698
1561. SORBOSE	SORBOSE			1612	1561		1660														0																																																	0				SORBOSE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1561. SORBOSE																																											0
1562. sorbose-species	sorbose-species	sorbose-species	C6H12O6	1613	1562	sorbose-species	1661	87-79-6	6	12	0	6	0	0	0	0		0	24	24	180.06		-	-		-	-	-	-	-	-	-	-	-	-	-911.954	-	-911.95	-	-	-	-	-		-	-1263.3	-	-	-	-	-1263.3	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-911.95	-911.95	A	-906.6727999999999	-216.7	-5.277200000000107		sorbose-species	-1263.3	A	495.92665426708004	495.86950402177104	495.86950402177104	-422.7507535947182	-422.7507535947182	-422.76	0.0021872001890299586	-422.7507535947183	-422.7507535947183	0	-449.6012302946441											495.92665426708004	495.92665426708004	495.92665426708004	1116.9866686195255	-897.8087959080999	658.5574303548992	801.8212638720915	950.7985350730755	1116.8650362997157	1293.3519662730819	1472.9410894494035	1662.3764948516541	-897.8087959080999	-399.0380819528758	-399.0380819528758	-399.0380819528758	513.6827438058862	495.86950402177104	495.86950402177104	495.86950402177104	1116.8650362997157	1116.8650362997157	1116.8650362997157	-911.95	511.3239976772757	495.86950402177104	495.86950402177104	-422.76110250380174	1.0000026078716098	-428.2	4.447450232420186E-4	-2.194026532630387	-2.194471277653629	-429.6	1562. sorbose-species	-911.95	A	-628.249444595071	-559.753330564648	-491.2572165342248	-422.76110250380174	-2.17306594984722	-354.2649884733786	-285.7688744429555	-217.27276041253242	-422.7611025038019	-354.2649884733788	-217.27276041253242	-285.76887444295573	-559.7533305646482	-491.25721653422505	-422.7611025038019	-354.2649884733788	-285.76887444295573	-422.7507535947182	-380.20055884322426	-388.7166015074483	-432.4772017870383	-380.20055884322426	-388.7166015074483	-432.4772017870383	-432.4772017870383	511.32399767727577	494.19996916967	494.19996916967	494.1597698664874	494.1597698664874	-432.4772017870383	511.32399767727577	494.19996916967	494.19996916967	494.1597698664874	494.1597698664874	495.9113212744361	495.86950402177104	495.9113212744361	495.86950402177104	0.05715024530900337	495.86950402177104	495.86950402177115	495.86950402177115	495.86950402177104	495.86950402177115	495.86950402177104	495.86950402177115	495.86950402177104	495.86950402177115	495.86950402177115	495.86950402177104	495.86950402177115	495.86950402177104	495.86950402177115	490.59782370964587	492.0226021723826	493.447380635119	494.1597698664874	494.87215909785533	495.86950402177104	496.2969375605918	497.7217160233286	499.1464944860651	501.9960514115375	504.84560833701073	490.59782370964587	492.0226021723826	493.44738063511903	494.1597698664874	494.87215909785533	495.86950402177104	496.2969375605918	497.7217160233286	499.1464944860651	501.9960514115375	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	495.86950402177104	494.06597149239417	-399.0380819528758	513.585170216334	495.7719304322188	495.7719304322188	495.7719304322188	495.7719304322188	494.06597149239417	494.06597149239417	-491.25721653422505	-491.25721653422505	511.18999999999994	-405.79867673087097		2.1246443642110333	0	-407.923321095082	0.001		-911.95
1563. sorbose-species	sorbose-species	sorbose-species	C6H12O6	1614	1563	sorbose-species	1662	87-79-6	6	12	0	6	0	0	0	0		0	24	24	180.06	-917.1	-	-		-	-	-	-	-	-	-	-	-	-	-911.954	-	-911.95	-	-	-	-	-		-	-1263.3	-	-	-	-	-1263.3	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-917.1	-917.1	E	0				sorbose-species	-1263.3	E<A	490.5693760514167																					490.5693760514167	490.5693760514167	490.5693760514167	1111.629390403862	-903.1660741237632	653.2001521392359	796.4639856564282	945.4412568574123	1111.5077580840525	1287.9946880574184	1467.58381123374	1657.019216635991	-903.1660741237632	-404.3953601685391	-404.3953601685391	-404.3953601685391	508.32546559022285	490.5122258061077	490.5122258061077	490.5122258061077	1111.5077580840525	1111.5077580840525	1111.5077580840525	-917.1	506.17399767727574			-427.9111025038017		-428.2		-0.11653993705756638		-429.6	1563. sorbose-species	-917.1	E	-633.399444595071	-564.903330564648	-496.4072165342248	-427.9111025038017	-2.1464282491877116	-359.41498847337857	-290.9188744429555	-222.4227604125324			-222.4227604125324																														490.5693760514167															485.87965332561095	487.1316999419617	488.38374655831194	489.00976986648743	489.63579317466247	490.5122258061077	490.88783979101277	492.1398864073636	493.39193302371393	495.89602625641413	498.40011948911535
1564. SUCCINATE	SUCCINATE			1615	1564		1663														0																																																	0				SUCCINATE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1564. SUCCINATE																																											0
1565. succinate 11: succinic acid -species (cr)	succinate 11: succinic acid -species (cr)	succinic acid -species (cr)	C4H6O4	1616	1565	succinic acid -species (cr)	1664		4	6	0	4	0	0	0	0		-2	14	14	118.03999999999999		-178.62	-	-747.34608	-	-	-	-744.8	-	-176.68	-739.2291200000001	-	-744.8	-	-	-	-	-	-940.81	-940.5	-	-224.86	-940.81424	-	-	-	-	-224.92	-941.06528	-	-224.86	-940.81424	-	-	-	-	-	-	-	-	-	-	-	1	0	-747.34608	-747.34608	W	0				succinate 11: succinic acid -species (cr)	-940.81424	WPM	118.34467230572153	118.30657214218212	118.30657214218212	-502.7464567973591	-502.7464567973591		-100	-502.7464567973591	-502.7464567973591	0	-507.60968089351917											118.34467230572153	118.34467230572153	118.34467230572153	532.3846818740185	-739.5593353412712	262.39166926583135	346.02539842121604	433.4680860324619	532.3035936608119	638.0860537869793	745.9366427151169	860.351419793874	-739.5593353412712	-490.17397836365916	-490.17397836365916	-490.17397836365916	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	532.3035936608119	532.3035936608119	532.3035936608119	-747.34608	119.97176886881743	118.30657214218212	118.30657214218212	-502.7516312519009							1565. succinate 11: succinic acid -species (cr)	-747.34608	W	-605.4958022975355	-571.247745282324	-536.9996882671124	-502.7516312519009	-1.2353939101321891	-468.5035742366893	-434.25551722147776	-400.0074602062662	-502.75163125190096	-468.5035742366894	-400.0074602062662	-434.2555172214779	-571.2477452823241	-536.9996882671126	-502.75163125190096	-468.5035742366894	-434.2555172214779	-502.7464567973591	-480.5761811556386	-485.0132381409454	-507.60968089351917	-480.5761811556386	-485.0132381409454	-507.60968089351917	-507.60968089351917	121.5911187493569	121.5911187493569	121.5911187493569	121.5643192139018	121.5643192139018	-507.60968089351917	121.5911187493569	121.5911187493569	121.5911187493569	121.5643192139018	121.5643192139018	118.33445031062553	118.30657214218212	118.33445031062553	118.30657214218212	-35.58837940469101	153.93305171041254	142.05755852100242	130.1820653315923	118.30657214218212	106.43107895277217	94.55558576336199	82.68009257395192	153.93305171041254	142.05755852100242	130.1820653315923	118.30657214218212	106.43107895277217	94.55558576336199	82.68009257395192	128.3512922799839	125.636503053551	122.92171382711808	121.5643192139018	120.20692460068528	118.30657214218212	117.49213537425231	114.77734614781957	112.0625569213866	106.63297846852038	101.20340001565472	128.3512922799839	125.636503053551	122.92171382711808	121.5643192139018	120.20692460068528	118.30657214218212	117.49213537425231	114.77734614781957	112.0625569213866	106.63297846852038	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	118.30657214218212	121.50178696450638	-490.17397836365916	118.24152308248068	118.24152308248068	118.24152308248068	118.24152308248068	118.24152308248068	121.50178696450638	121.50178696450638	-536.9996882671126	-536.9996882671126	119.88243708396698	-493.55427575265674		1.0623221821055167	0	-494.61659793476224			-747.34608
1566. succinate 12: succinic acid -species (cr)	succinate 12: succinic acid -species (cr)	succinic acid -species (cr)	C4H6O4	1617	1566	succinic acid -species (cr)	1665		4	6	0	4	0	0	0	0		-2	14	14	118.03999999999999		-178.62	-	-747.34608	-	-	-	-744.8	-	-176.68	-739.2291200000001	-	-744.8	-	-	-	-	-	-940.81	-940.5	-	-224.86	-940.81424	-	-	-	-	-224.92	-941.06528	-	-224.86	-940.81424	-	-	-	-	-	-	-	-	-	-	-	1	0	-739.2291200000001	-739.2291200000001	B	0				succinate 12: succinic acid -species (cr)	-941.06528	B	126.79842922002643	126.76032905648702	126.76032905648702	-494.62949679735914	-494.62949679735914		-100	-494.62949679735914	-494.62949679735914	0	-499.4927208935192											126.79842922002643	126.79842922002643	126.79842922002643	540.8384387883234	-731.1055784269663	270.84542618013626	354.47915533552094	441.9218429467668	540.7573505751168	646.5398107012842	754.3903996294218	868.8051767081789	-731.1055784269663	-481.72022144935426	-481.72022144935426	-481.72022144935426	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	540.7573505751168	540.7573505751168	540.7573505751168	-739.2291200000001	128.08872886881738	126.76032905648702	126.76032905648702	-494.63467125190095							1566. succinate 12: succinic acid -species (cr)	-739.2291200000001	B	-597.3788422975356	-563.130785282324	-528.8827282671125	-494.63467125190095	-1.2563476371340987	-460.38661423668935	-426.1385572214778	-391.89050020626627	-494.634671251901	-460.38661423668947	-391.89050020626627	-426.1385572214779	-563.1307852823242	-528.8827282671126	-494.634671251901	-460.38661423668947	-426.1385572214779	-494.62949679735914	-472.03822501275755	-476.5594812266405	-499.4927208935192	-472.03822501275755	-476.5594812266405	-499.4927208935192	-499.4927208935192	129.70807874935684	129.70807874935684	129.70807874935684	129.68127921390175	129.68127921390175	-499.4927208935192	129.70807874935684	129.70807874935684	129.70807874935684	129.68127921390175	129.68127921390175	126.78820722493043	126.76032905648702	126.78820722493043	126.76032905648702	-35.58837940469101	162.38680862471745	150.51131543530732	138.6358222458972	126.76032905648702	114.88483586707707	103.0093426776669	91.13384948825683	162.38680862471745	150.51131543530732	138.6358222458972	126.76032905648702	114.88483586707707	103.0093426776669	91.13384948825683	135.76659204184875	133.33246691066995	130.8983417794911	129.68127921390175	128.46421664831223	126.76032905648702	126.03009151713337	123.59596638595451	121.16184125477577	116.29359099241765	111.4253407300601	135.76659204184875	133.33246691066995	130.8983417794911	129.68127921390175	128.46421664831223	126.76032905648702	126.03009151713337	123.59596638595451	121.16184125477577	116.29359099241765	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	126.76032905648702	129.61874696450633	-481.72022144935426	126.69527999678559	126.69527999678559	126.69527999678559	126.69527999678559	126.69527999678559	129.61874696450633	129.61874696450633	-528.8827282671126	-528.8827282671126	127.99939708396693	-485.10051883835183		1.0623221821055167	0	-486.16284102045734			-739.2291200000001
1567. succinate 13: succinic acid -species (cr)	succinate 13: succinic acid -species (cr)	succinic acid -species (cr)	C4H6O4	1618	1567	succinic acid -species (cr)	1666		4	6	0	4	0	0	0	0		-2	14	14	118.03999999999999		-178.62	-	-747.34608	-	-	-	-744.8	-	-176.68	-739.2291200000001	-	-744.8	-	-	-	-	-	-940.81	-940.5	-	-224.86	-940.81424	-	-	-	-	-224.92	-941.06528	-	-224.86	-940.81424	-	-	-	-	-	-	-	-	-	-	-	1	0	-744.8	-744.8	Ml	0				succinate 13: succinic acid -species (cr)	-940.81	WPM	120.99305678333354	120.95495661979413	120.95495661979413	-500.200376797359	-500.200376797359		-100	-500.200376797359	-500.200376797359	0	-505.0636008935191											120.99305678333354	120.99305678333354	120.99305678333354	535.0330663516305	-736.9109508636592	265.04005374344325	348.67378289882805	436.1164705100739	534.9519781384239	640.7344382645913	748.5850271927291	862.999804271486	-736.9109508636592	-487.52559388604715	-487.52559388604715	-487.52559388604715	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	534.9519781384239	534.9519781384239	534.9519781384239	-744.8	122.51784886881751	120.95495661979413	120.95495661979413	-500.20555125190083							1567. succinate 13: succinic acid -species (cr)	-744.8	M	-602.9497222975355	-568.7016652823239	-534.4536082671124	-500.20555125190083	-1.241886673349617	-465.95749423668923	-431.7094372214777	-397.46138020626614	-500.2055512519009	-465.95749423668934	-397.46138020626614	-431.7094372214778	-568.701665282324	-534.4536082671125	-500.2055512519009	-465.95749423668934	-431.7094372214778	-500.200376797359	-477.9022205586236	-482.3648536633334	-505.0636008935191	-477.9022205586236	-482.3648536633334	-505.0636008935191	-505.0636008935191	124.13719874935697	124.13719874935697	124.13719874935697	124.11039921390187	124.11039921390187	-505.0636008935191	124.13719874935697	124.13719874935697	124.13719874935697	124.11039921390187	124.11039921390187	120.98283478823754	120.95495661979413	120.98283478823754	120.95495661979413	-35.5883794046909	156.58143618802444	144.70594299861443	132.8304498092043	120.95495661979413	109.07946343038418	97.203970240974	85.32847705156394	156.58143618802444	144.70594299861443	132.8304498092043	120.95495661979413	109.07946343038418	97.203970240974	85.32847705156394	130.68423795162585	128.05470245653623	125.42516696144662	124.11039921390187	122.79563146635701	120.95495661979413	120.16609597126734	117.53656047617767	114.90702498108823	109.64795399090838	104.38888300072932	130.68423795162585	128.05470245653623	125.42516696144662	124.11039921390187	122.79563146635701	120.95495661979413	120.16609597126734	117.53656047617767	114.90702498108823	109.64795399090838	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	120.95495661979413	124.04786696450645	-487.52559388604715	120.8899075600927	120.8899075600927	120.8899075600927	120.8899075600927	120.8899075600927	124.04786696450645	124.04786696450645	-534.4536082671125	-534.4536082671125	122.42851708396705	-490.9058912750447		1.0623221821055167	0	-491.9682134571502			-744.8
1568. succinate 20	succinate 20			1619	1568		1667														0																																																	0				succinate 20																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1568. succinate 20																																											0
1569. succinate 21: succinate2- -species	succinate 21: succinate2- -species	succinate2- -species	C6H4O4 2-	1620	1569	succinate2- -species	1668		4	4	0	4	0	0	0	-2		-2	14	14	116.03999999999999		-165.02	-	-690.4436800000001	-690.23	-	-	-687.77	-687.81	-164.97	-690.2344800000001	-687.8	-687.77	-	-	-	-690.44	-	-909.37	-	-	-217.18	-908.6811200000001	-	-	-	-	-	-	-908.68	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-690.44	-690.44	AWT	-687.0128	-164.2	-3.4272000000000844		succinate 21: succinate2- -species	-908.68	A	72.34433571672761	72.3062355531882	72.30623555318822	-530.6123402366295	-530.6123402366295		-100	-530.6123402366295	-530.6123402366295	-3.238755705056737	-550.9785181416753	85.03990650035556	12.695570783627943	137.43982566276898	139.95819510760606							72.34433571672761	72.34433571672761	72.34433571672761	486.38434528502455	-681.6562334395439	252.0178122450676	323.7760482110423	399.3432426328782	486.30325707181794	580.2102240085752	676.1853197473027	778.7246036366497	-681.6562334395439	-515.3993287878026	-518.3610751685379	-518.3610751685379	90.11947533730336	72.3062355531882	72.3062355531882	72.3062355531882	486.30325707181794	486.30325707181794	486.30325707181794	-690.44	92.10761024772762	72.3062355531882	72.3062355531882	-530.6157898729907							1569. succinate 21: succinate2- -species	-690.44	AWT	-599.1119039034138	-576.2798658932728	-553.4478278831317	-530.6157898729907	-1.1363403372033918	-507.7837518628496	-484.9517138527086	-462.1196758425676	-530.6157898729907	-507.7837518628497	-462.1196758425676	-484.95171385270874	-576.2798099492949	-553.4477719391539	-530.6157339290128	-507.7836959188718	-484.9516579087308	-530.6123402366295	-511.5952878319197	-515.3993882174829	-533.8544896340695	-511.5952275025	-515.3993287878026	-533.8544896340695	-533.8544896340695	95.34631000880654	78.22228150120077	78.67300480730648	78.64620527185139	78.3947919136906	-533.8544896340695	95.34631000880654	78.22228150120077	78.67300480730648	78.64620527185139	78.3947919136906	72.33411372163161	72.3062355531882	72.33411372163162	72.30623555318822	-71.2148589729212	143.55919468964882	119.80820831082869	96.05722193200856	72.3062355531882	48.555249174368136	24.80426279554778	1.0532764167276483	143.55919468964882	119.8082083108287	96.05722193200857	72.30623555318822	48.55524917436814	24.804262795547782	1.0532764167276518	91.82722307151238	86.55904344063912	81.28527452242648	78.64620527185139	76.00563212898108	72.3062355531882	70.71983207240851	65.4275901648151	60.128622218307186	49.50937145697128	38.85980628525064	91.82722307151238	86.55904344063913	81.28527452242648	78.64620527185139	76.00563212898108	72.30623555318822	70.71983207240851	65.4275901648151	60.128622218307186	49.50937145697128	75.26798193392355	72.66712760219102	72.3062355531882	72.03915737867291	71.82742902243407	75.26798193392356	72.66712760219103	72.30623555318822	72.03915737867293	71.82742902243409	72.3062355531882	72.3062355531882	72.3062355531882	72.3062355531882	72.3062355531882	72.30623555318822	72.30623555318822	72.30623555318822	72.30623555318822	72.30623555318822	78.33231216553384	-518.8398222696118	89.57567917652807	71.76243939241293	71.97416409140565	72.24123765260127	75.20293287422213	78.33231216553384	78.33231216553384	-553.4477719391539	-553.4477719391539	92.01833440685516	-518.3610751685379		0	-0.7082147880703444	-519.0692899566083	0.001		-690.44
1570. succinate 22: succinate- -species	succinate 22: succinate- -species	succinate- -species	C6H5O4 -	1621	1570	succinate- -species	1669		4	5	0	4	0	0	0	-1		-2	14	14	117.03999999999999		-172.71	-	-722.61864	-	-	-	-	-	-		-	-716.89	-	-	-	-722.62	-	-908.93	-	-	-217.23	-908.89032	-	-	-	-	-		-908.84	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-722.62	-722.62	AW	0				succinate 22: succinate- -species	-908.84	A	82.66112439035291	82.6230242268135	82.62302422681351	-519.59666959073	-519.59666959073		-100	-519.59666959073	-519.59666959073	-0.8096889262641842	-540.7733848451359		2.3787821100026463	2.5154769868742157								82.66112439035291	82.66112439035291	82.66112439035291	496.70113395864985	-715.1249807144055	244.52136113457777	322.21734369525745	403.72228471179835	496.62004574544324	596.4647592769056	698.3776016103383	806.8546320943902	-715.1249807144055	-507.3038498997288	-508.0442864949126	-508.0442864949126	100.43626401092865	82.6230242268135	82.6230242268135	82.6230242268135	496.62004574544324	496.62004574544324	496.62004574544324	-722.62	103.12241848453687	82.6230242268135	82.6230242268135	-519.6009816361815							1570. succinate 22: succinate- -species	-722.62	AW	-605.2211241742103	-576.6810766615341	-548.1410291488578	-519.6009816361815	-1.1590857741070075	-491.06093412350526	-462.52088661082894	-433.98083909815267	-519.6009816361816	-491.0609341235053	-433.98083909815267	-462.52088661082905	-576.6810626755397	-548.1410151628635	-519.6009676501872	-491.06092013751083	-462.52087262483457	-519.59666959073	-499.9273295538291	-503.8633712753397	-523.6493563375301	-499.9273144714742	-503.86335641791965	-523.6493563375301	-523.6493563375301	105.55144330534597	88.4274147977402	88.54009562426654	88.51329608881144	88.45044274927125	-523.6493563375301	105.55144330534597	88.4274147977402	88.54009562426654	88.51329608881144	88.45044274927125	82.6509023952569	82.6230242268135	82.65090239525692	82.62302422681351	-53.40161918880608	136.062743579159	118.24950379504386	100.43626401092874	82.6230242268135	64.80978444269849	46.996544658583254	29.183304874468128	136.062743579159	118.24950379504388	100.43626401092875	82.62302422681351	64.8097844426985	46.99654465858326	29.18330487446813	100.77788268941839	95.87310492142352	90.96692983159349	88.51329608881144	86.05928637295547	82.6230242268135	81.1501034985356	76.23931016136054	71.32683531445687	61.496556903569115	51.658699890085614	100.77788268941839	95.87310492142353	90.96692983159349	88.51329608881144	86.05928637295547	82.62302422681351	81.1501034985356	76.23931016136054	71.32683531445687	61.496556903569115	83.36346082199734	82.7132472390642	82.6230242268135	82.55625468318468	82.50332259412497	83.36346082199735	82.71324723906422	82.62302422681351	82.55625468318469	82.50332259412498	82.6230242268135	82.6230242268135	82.6230242268135	82.6230242268135	82.6230242268135	82.62302422681351	82.62302422681351	82.62302422681351	82.62302422681351	82.62302422681351	88.38792362518552	-508.1639732701811	100.25152817595875	82.43828839184361	82.49121956659182	82.5579879568907	83.29841176229591	88.38792362518552	88.38792362518552	-548.1410151628635	-548.1410151628635	103.03310068568078	-510.2978180875777		0.7082147880703444	-0.1770536970175861	-511.1830865726656	0.001		-722.62
1571. succinate 23: succinic acid -species (aq)	succinate 23: succinic acid -species (aq)	succinic acid -species (aq)	C4H6O4	1622	1571	succinic acid -species (aq)	1670		4	6	0	4	0	0	0	0		-2	14	14	118.03999999999999		-178.45	-	-746.6347999999999	-746.38	-	-	-743.92	-	-178.39	-746.3837599999999	-	-743.92	-	-	-	-746.64	-	912.11	-	-	-218.02	-912.19568	-	-	-	-	-	-	-912.2	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-746.64	-746.64	AWT	0				succinate 23: succinic acid -species (aq)	-912.2	A	100.11425939398615	100.07615923044673	100.07615923044675	-502.04037679735904	-502.04037679735904		-100	-502.04037679735904	-502.04037679735904	0	-524.0276294011248		-15.07435289363059	0.0028924579628624592								100.11425939398615	100.11425939398615	100.11425939398615	514.1542689622831	-739.9765084688914	244.16125635409583	327.7949855094806	415.2376731207265	514.0731807490765	619.8556408752439	727.7062298033816	842.1210068821387	-739.9765084688914	-490.5911514912794	-490.5911514912794	-490.5911514912794	117.88939901456189	100.07615923044673	100.07615923044673	100.07615923044673	514.0731807490765	514.0731807490765	514.0731807490765	-746.64	120.67784886881748	100.07615923044673	100.07615923044673	-502.04555125190086							1571. succinate 23: succinic acid -species (aq)	-746.64	AWT	-604.7897222975355	-570.541665282324	-536.2936082671124	-502.04555125190086	-1.1994127009876716	-467.79749423668926	-433.5494372214777	-399.3013802062662	-502.0455512519009	-467.7974942366894	-399.3013802062662	-433.54943722147783	-570.5416652823241	-536.2936082671125	-502.0455512519009	-467.7974942366894	-433.54943722147783	-502.04037679735904	-481.27416756516396	-485.43041126856565	-506.9036008935191	-481.27416756516396	-485.43041126856565	-506.9036008935191	-506.9036008935191	122.29719874935694	105.17317024175117	105.17317024175117	105.14637070629607	105.14637070629607	-506.9036008935191	122.29719874935694	105.17317024175117	105.17317024175117	105.14637070629607	105.14637070629607	100.10403739889014	100.07615923044673	100.10403739889016	100.07615923044675	-35.5883794046909	135.70263879867704	123.82714560926703	111.95165241985691	100.07615923044673	88.20066604103678	76.3251728516266	64.44967966221654	135.70263879867704	123.82714560926705	111.95165241985693	100.07615923044675	88.2006660410368	76.32517285162662	64.44967966221655	115.7093112809817	111.48413505110749	107.25895882123305	105.14637070629607	103.03378259135884	100.07615923044673	98.80860636148446	94.5834301316102	90.35825390173594	81.90790144198678	73.45754898223831	115.7093112809817	111.4841350511075	107.25895882123305	105.14637070629607	103.03378259135884	100.07615923044675	98.80860636148446	94.5834301316102	90.35825390173594	81.90790144198678	100.07615923044673	100.07615923044673	100.07615923044673	100.07615923044673	100.07615923044673	100.07615923044675	100.07615923044675	100.07615923044675	100.07615923044675	100.07615923044675	100.07615923044673	100.07615923044673	100.07615923044673	100.07615923044673	100.07615923044673	100.07615923044675	100.07615923044675	100.07615923044675	100.07615923044675	100.07615923044675	105.08383845690065	-490.5911514912794	117.82434995486045	100.01111017074531	100.01111017074531	100.01111017074531	100.01111017074531	105.08383845690065	105.08383845690065	-536.2936082671125	-536.2936082671125	120.58851708396702	-493.97144888027697		1.0623221821055167	0	-495.03377106238247	0.001		-746.64
1572. succinate 24: -blend	succinate 24: -blend	succinate-reactant		1623	1572	succinate-reactant	1671		4	?	0	4	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	AWT	0				succinate 24: -reactant	-	A						-530.64										72.29751220508516					72.29751220508516		72.29751220508516	72.29751220508516	486.33752177338215	-739.9766182330828	242.5612375255161	320.99306242760247	398.94858765733517	486.26489857639945	580.2067057798797	676.1849988807273	778.7245743884624	-739.9766182330828	-515.492299362203	-518.3994336639564	-518.3994336639564	90.08111684188484	72.26787705776968	72.26787705776968	72.26787705776968	486.26489857639945	486.26489857639945	486.26489857639945	-746.6401535092733	92.07861143643632	72.26787705776968	72.26787705776968	-530.644788684282	1.000009024356027	-519.1	0.0019317334769734897	4.657115289381903	4.655183555904929	-519.1	1572. succinate 24: -reactant	-	AWT	-606.8450857682471	-578.3169408527833	-553.7255664184919	-530.644788684282	-1.1362446475435002	-507.78666485546296	-484.9520052840163	-462.11970498701976	-530.644788684282	-507.7866648554631	-462.11970498701976	-484.9520052840164	-578.316909026979	-553.7255149340324	-530.6447332284091	-507.7866089607623	-484.9519493449709	-530.6413290115548	-511.6175932370119	-515.4229083856692	-533.8946126184845	-511.61753331297103	-515.4228493769739	-533.8946126184845	-533.8946126184845	95.30618702439158	78.1821585167858	78.6270713893792	78.6002718539241	78.35219536572554	-533.8946126184845	95.30618702439158	78.1821585167858	78.6270713893792	78.6002718539241	78.35219536572554	72.29575522621309	72.26787705776968	72.2957552262131	72.2678770577697	-61.80510776501217	134.10261997009732	117.02522252738883	95.6625669564656	72.26787705776968	48.5517309456726	24.80394192897233	1.0532471685403415	134.10261997009732	117.02522252738885	95.66256695646561	72.2678770577697	48.55173094567261	24.803941928972332	1.0532471685403415	91.7609384873607	86.50172631394561	81.23579990457212	78.6002718539241	75.96300688562437	72.26787705776968	70.68317988670003	65.39613839879163	60.10169032859346	49.489755889306004	38.8456540363466	91.7609384873607	86.50172631394562	81.23579990457212	78.6002718539241	75.96300688562437	72.2678770577697	70.68317988670003	65.39613839879163	60.10169032859346	49.489755889306004	75.17501135952315	72.6243802405748	72.26787705776968	72.00375612858235	71.79421033207313	75.17501135952318	72.62438024057481	72.2678770577697	72.00375612858237	71.79421033207315	72.26787705776968	72.26787705776968	72.26787705776968	72.26787705776968	72.26787705776968	72.2678770577697	72.2678770577697	72.2678770577697	72.2678770577697	72.2678770577697	78.28971494647149	-518.8730415534391	89.54245989270078	71.72922010858564	71.93876224803466	72.2028785678629	75.10996229982175	78.28971494647149	78.28971494647149	-553.7255149340324	-553.7255149340324	74.8653065998531		-561.63				0.001		-
1573. succinate 30	succinate 30			1624	1573		1672														0																																																	0				succinate 30																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1573. succinate 30																																											0
1574. succinate 31: 2- -species	succinate 31: 2- -species	succinate2- -species	C6H4O4 2-	1625	1574	succinate2- -species	1673		4	4	0	4	0	0	0	-2		-2	14	14	116.03999999999999		-165.02	-	-690.4436800000001	-690.23	-	-	-687.77	-687.81	-164.97	-690.2344800000001	-687.8	-687.77	-	-	-	-690.44	-	-909.37	-	-	-217.18	-908.6811200000001	-	-	-	-	-	-	-908.68	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-687.77	-687.77	Ml	0				succinate 31: 2- -species	-909.37	M	75.14956965937401	75.1114694958346	75.11146949583461	-527.9423402366294	-527.9423402366294		-100	-527.9423402366294	-527.9423402366294	-3.238755705056737	-548.3085181416752	64.43116146150489	-10.718408197869124	0.015662799155466513	758185.172754991							75.14956965937401	75.14956965937401	75.14956965937401	489.18957922767095	-678.8509994968975	254.823046187714	326.5812821536887	402.14847657552446	489.10849101446433	583.0154579512216	678.9905536899491	781.5298375792961	-678.8509994968975	-512.5940948451562	-515.5558412258915	-515.5558412258915	92.92470927994975	75.1114694958346	75.1114694958346	75.1114694958346	489.10849101446433	489.10849101446433	489.10849101446433	-687.77	94.7776102477277	75.1114694958346	75.1114694958346	-527.9457898729906							1574. succinate 31: 2- -species	-687.77	M	-596.4419039034137	-573.6098658932727	-550.7778278831316	-527.9457898729906	-1.1423433449056446	-505.11375186284954	-482.28171385270855	-459.4496758425675	-527.9457898729906	-505.11375186284965	-459.4496758425675	-482.28171385270866	-573.6098099492948	-550.7777719391538	-527.9457339290127	-505.1136959188717	-482.2816579087307	-527.9423402366294	-508.75624540361173	-512.5941542748365	-531.1844896340695	-508.75618507419205	-512.5940948451562	-531.1844896340695	-531.1844896340695	98.01631000880661	80.89228150120084	81.34300480730656	81.31620527185146	81.06479191369067	-531.1844896340695	98.01631000880661	80.89228150120084	81.34300480730656	81.31620527185146	81.06479191369067	75.139347664278	75.1114694958346	75.13934766427802	75.11146949583461	-71.2148589729212	146.36442863229522	122.61344225347509	98.86245587465484	75.1114694958346	51.36048311701453	27.609496738194174	3.858510359374044	146.36442863229522	122.6134422534751	98.86245587465486	75.11146949583461	51.36048311701454	27.609496738194178	3.8585103593740477	94.21548569099917	89.0600010123312	83.89892704632408	81.31620527185146	78.73197960508374	75.1114694958346	73.55887450071646	68.37932754532834	63.19305455102571	52.79919369410038	42.37501842679032	94.21548569099917	89.06000101233121	83.89892704632408	81.31620527185146	78.73197960508374	75.11146949583461	73.55887450071646	68.37932754532834	63.19305455102571	52.79919369410038	78.07321587656995	75.47236154483741	75.1114694958346	74.8443913213193	74.63266296508047	78.07321587656996	75.47236154483743	75.11146949583461	74.84439132131932	74.63266296508048	75.1114694958346	75.1114694958346	75.1114694958346	75.1114694958346	75.1114694958346	75.11146949583461	75.11146949583461	75.11146949583461	75.11146949583461	75.11146949583461	81.00231216553391	-516.0345883269654	92.38091311917447	74.56767333505933	74.77939803405205	75.04647159524767	78.00816681686852	81.00231216553391	81.00231216553391	-550.7777719391538	-550.7777719391538	94.68833440685523	-515.5558412258915		0	-0.7082147880703444	-516.2640560139619	0.001		-687.77
1575. succinate 32: - -species	succinate 32: - -species	succinate- -species	C6H5O4 -	1626	1575	succinate- -species	1674		4	5	0	4	0	0	0	-1		-2	14	14	117.03999999999999		-172.71	-	-722.61864	-	-	-	-	-	-		-	-716.89	-	-	-	-722.62	-	-908.93	-	-	-217.23	-908.89032	-	-	-	-	-		-908.84	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-716.89	-716.89	Ml	0				succinate 32: - -species	-908.93	M	88.6253688981511	88.58726873461168	88.5872687346117	-513.86666959073	-513.86666959073		-100	-513.86666959073	-513.86666959073	-0.8096889262641842	-535.0433848451358		-24.19420743664621	8.420838592035443E-5								88.6253688981511	88.6253688981511	88.6253688981511	502.66537846644803	-709.1607362066073	250.48560564237596	328.18158820305564	409.68652921959654	502.5842902532414	602.4290037847038	704.3418461181365	812.8188766021884	-709.1607362066073	-501.3396053919306	-502.08004198711444	-502.08004198711444	106.40050851872684	88.58726873461168	88.58726873461168	88.58726873461168	502.5842902532414	502.5842902532414	502.5842902532414	-716.89	108.85241848453688	88.58726873461168	88.58726873461168	-513.8709816361815							1575. succinate 32: - -species	-716.89	M	-599.4911241742103	-570.9510766615341	-542.4110291488578	-513.8709816361815	-1.1724661871662128	-485.33093412350524	-456.7908866108289	-428.25083909815265	-513.8709816361816	-485.3309341235053	-428.25083909815265	-456.79088661082903	-570.9510626755397	-542.4110151628635	-513.8709676501871	-485.3309201375108	-456.79087262483455	-513.86666959073	-493.90452391908144	-497.89912676754153	-517.9193563375301	-493.9045088367265	-497.89911191012146	-517.9193563375301	-517.9193563375301	111.28144330534599	94.15741479774022	94.27009562426656	94.24329608881146	94.18044274927126	-517.9193563375301	111.28144330534599	94.15741479774022	94.27009562426656	94.24329608881146	94.18044274927126	88.61514690305509	88.58726873461168	88.6151469030551	88.5872687346117	-53.40161918880608	142.02698808695718	124.21374830284205	106.40050851872692	88.58726873461168	70.77402895049667	52.96078916638144	35.14754938226631	142.02698808695718	124.21374830284206	106.40050851872694	88.5872687346117	70.77402895049669	52.960789166381446	35.14754938226632	106.01987329817251	101.31029928667589	96.59932795334421	94.24329608881146	91.88688825120472	88.58726873461168	87.17290913328327	82.45731955260656	77.74004846220137	68.30017756431045	58.85272806382366	106.01987329817251	101.3102992866759	96.59932795334421	94.24329608881146	91.88688825120472	88.5872687346117	87.17290913328327	82.45731955260656	77.74004846220137	68.30017756431045	89.32770532979552	88.67749174686239	88.58726873461168	88.52049919098286	88.46756710192315	89.32770532979553	88.6774917468624	88.5872687346117	88.52049919098287	88.46756710192317	88.58726873461168	88.58726873461168	88.58726873461168	88.58726873461168	88.58726873461168	88.5872687346117	88.5872687346117	88.5872687346117	88.5872687346117	88.5872687346117	94.11792362518554	-502.1997287623829	106.21577268375694	88.4025328996418	88.45546407439001	88.52223246468888	89.2626562700941	94.11792362518554	94.11792362518554	-542.4110151628635	-542.4110151628635	108.7631006856808	-504.3335735797795		0.7082147880703444	-0.1770536970175861	-505.21884206486743	0.001		-716.89
1576. succinate 33: succinic acid -species (aq)	succinate 33: succinic acid -species (aq)	succinic acid -species (aq)	C4H6O4	1627	1576	succinic acid -species (aq)	1675		4	6	0	4	0	0	0	0		-2	14	14	118.03999999999999		-178.45	-	-746.6347999999999	-746.38	-	-	-743.92	-	-178.39	-746.3837599999999	-	-743.92	-	-	-	-746.64	-	912.11	-	-	-218.02	-912.19568	-	-	-	-	-	-	-912.2	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-743.92	-743.92	Ml	0				succinate 33: succinic acid -species (aq)	912.11	M	29.518545826989545	29.480445663450134	29.480445663450137	-499.320376797359	-499.320376797359		-100	-499.320376797359	-499.320376797359	0	-521.3076294011248		34.91261563451534	758185.1570079834								29.518545826989545	29.518545826989545	29.518545826989545	443.55855539528653	-810.572222035888	173.5655427870994	257.19927194248413	344.64195955373	443.4774671820799	549.2599273082474	657.110516236385	771.5252933151421	-810.572222035888	-561.186865058276	-561.186865058276	-561.186865058276	47.29368544756528	29.480445663450134	29.480445663450134	29.480445663450134	443.4774671820799	443.4774671820799	443.4774671820799	-743.92	123.3978488688175	29.480445663450134	29.480445663450134	-499.32555125190083							1576. succinate 33: succinic acid -species (aq)	-743.92	M	-602.0697222975355	-567.8216652823239	-533.5736082671124	-499.32555125190083	-1.0591168342036195	-465.07749423668923	-430.8294372214777	-396.58138020626615	-499.3255512519009	-465.07749423668935	-396.58138020626615	-430.8294372214778	-567.821665282324	-533.5736082671125	-499.3255512519009	-465.07749423668935	-430.8294372214778	-499.320376797359	-570.1988095239094	-556.0261248355622	-504.1836008935191	-570.1988095239094	-556.0261248355622	-504.1836008935191	-504.1836008935191	125.01719874935696	107.89317024175119	107.89317024175119	107.8663707062961	107.8663707062961	-504.1836008935191	125.01719874935696	107.89317024175119	107.89317024175119	107.8663707062961	107.8663707062961	29.50832383189354	29.480445663450134	29.508323831893545	29.480445663450137	-35.58837940469106	65.1069252316806	53.23143204227049	41.35593885286037	29.480445663450134	17.60495247404024	5.72945928463006	-6.146033904780005	65.10692523168062	53.2314320422705	41.355938852860376	29.480445663450137	17.604952474040243	5.729459284630064	-6.146033904780001	271.17038121222447	205.84877700985328	140.52717280748183	107.8663707062961	75.20556860511017	29.480445663450134	9.883964402739029	-55.437639799632464	-120.75924400200361	-251.4024524067474	-382.04566081148977	271.17038121222447	205.84877700985328	140.52717280748183	107.8663707062961	75.20556860511017	29.480445663450137	9.883964402739032	-55.437639799632464	-120.75924400200361	-251.4024524067474	29.480445663450134	29.480445663450134	29.480445663450134	29.480445663450134	29.480445663450134	29.480445663450137	29.480445663450137	29.480445663450137	29.480445663450137	29.480445663450137	29.480445663450134	29.480445663450134	29.480445663450134	29.480445663450134	29.480445663450134	29.480445663450137	29.480445663450137	29.480445663450137	29.480445663450137	29.480445663450137	107.80383845690068	-561.186865058276	47.228636387863844	29.4153966037487	29.4153966037487	29.4153966037487	29.4153966037487	107.80383845690068	107.80383845690068	-533.5736082671125	-533.5736082671125	123.30851708396705	-564.5671624472735		1.0623221821055167	0	-565.629484629379	0.001		-743.92
1577. succinate 34: -blend	succinate 34: -blend	succinate-reactant		1628	1577	succinate-reactant	1676		4	?	0	4	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	M	0				succinate 34: -reactant	-	M																29.518545773431008					29.518545773431008		29.518545773431008	29.518545773431008	443.558555341728	-810.572222035888	173.5655427870993	257.19927194248146	344.64195955351124	443.47746715684815	549.2599242832288	657.1101522910822	771.4818682296759	-810.572222035888	-561.1868650659636	-561.1868650835078	-561.1868650835078	47.29368542233353	29.480445638218384	29.480445638218384	29.480445638218384	443.47746715684815	443.47746715684815	443.47746715684815	-743.9200455845131	94.76911937141868	29.480445638218384	29.480445638218384	-527.9542807492996		-519.1		3.5717766155550508		-519.1	1577. succinate 34: -reactant	-	M	-603.0021955896001	-574.5119992922521	-550.8635431472488	-527.9542807492996	-1.0559111780124915	-505.1146001010976	-482.28179866799593	-459.44968432401083	-527.9542807492996	-505.1146001010977	-459.44968432401083	-482.28179866799604	-574.5119570886961	-550.8634886423555	-527.9542249489257	-505.11454417147576	-482.2817427254537	-527.9508281562788	-570.1988095239521	-556.0261248967229	-531.1962653306659	-570.1988095239521	-556.0261248967214	-531.1962653306659	-531.1962653306659	98.00453431221007	80.8805058046043	81.32951091119634	81.30271137574124	81.05228514366988	-531.1962653306659	98.00453431221007	80.8805058046043	81.32951091119634	81.30271137574124	81.05228514366988	29.508323806661792	29.480445638218384	29.5083238066618	29.48044563821839	-35.5883794582495	65.1069252316805	53.23143204226785	41.35593885264167	29.480445638218384	17.604949449021685	5.729095339327191	-6.189458990246155	65.10692523168052	53.23143204226786	41.35593885264168	29.48044563821839	17.60494944902169	5.729095339327195	-6.189458990246152	94.1943809630813	89.04235838540676	83.88420511424316	81.30271137574124	74.66772929797968	29.480445638218384	9.883964402721631	-55.437639799632464	-120.75924400200363	-251.4024524067474	-382.04566081148977	94.1943809630813	89.04235838540677	83.88420511424316	81.30271137574124	74.66772929797968	29.48044563821839	9.883964402721631	-55.437639799632464	-120.75924400200363	-251.4024524067474	29.480445655762466	29.48044564162589	29.480445638218384	29.480445635357583	29.480445632860338	29.480445655762473	29.480445641625906	29.48044563821839	29.480445635357583	29.480445632860345	29.480445638218384	29.480445638218384	29.480445638218384	29.480445638218384	29.480445638218384	29.48044563821839	29.48044563821839	29.48044563821839	29.48044563821839	29.48044563821839	80.98980519709009	-561.186865088865	47.22863635727478	29.41539657315964	29.41539657565678	29.415396578517473	29.415396596061036	80.98980519709009	80.98980519709009	-550.8634886423555	-550.8634886423555	77.55581487933645		-561.63				0.001		-
1578. succinate 35: succinic acid ?	succinate 35: succinic acid ?	succinic acid ?	C4H6O4	1629	1578	succinic acid ?	1677		4	6	0	4	0	0	0	0		-2	14	14	118.03999999999999	-731.5	-178.45	-	-746.6347999999999	-746.38	-	-	-743.92	-	-178.39	-746.3837599999999	-	-743.92	-	-	-	-746.64	-	912.11	-	-	-218.02	-912.19568	-	-	-	-	-	-	-912.2	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-731.5	-731.5	E	0				succinate 35: succinic acid ?	-912.11	E<M	115.85999476208943																					115.85999476208943	115.85999476208943	115.85999476208943	529.9000043303864	-724.2307731007882	259.9069917221992	343.5407208775839	430.9834084888298	529.8189161171798	635.6013762433472	743.4519651714849	857.8667422502419	-724.2307731007882	-474.8454161231761	-474.8454161231761	-474.8454161231761	133.63513438266517	115.82189459855002	115.82189459855002	115.82189459855002	529.8189161171798	529.8189161171798	529.8189161171798	-731.5	135.81784886881746			-486.9055512519009							1578. succinate 35: succinic acid ?	-731.5	E	-589.6497222975355	-555.401665282324	-521.1536082671124	-486.9055512519009	-1.2379516817259477	-452.6574942366893	-418.40943722147773	-384.1613802062662			-384.1613802062662																														115.85999476208943															129.58736259743324	125.8669658409783	122.14656908452329	120.28637070629605	118.42617232806863	115.82189459855002	114.70577557161363	110.98537881515874	107.26498205870385	99.82418854579356	92.38339503288395
1579. succinate 36: succinic acid -species (eq,buf, means pH=7)	succinate 36: succinic acid -species (eq,buf, means pH=7)	succinic acid -species (eq,buf, means pH=7)	C4H6O4	1630	1579	succinic acid -species (eq,buf, means pH=7)	1678		4	6	0	4	0	0	0	0		-2	14	14	118.03999999999999		-184.75	-	-772.994	-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-217.19	-908.7229600000001	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-772.994	-772.994	W	0				succinate 36: succinic acid -species (eq,buf, means pH=7)	-908.7229600000001	W	72.55961381290282	72.52151364936341	72.52151364936343	-528.3943767973591	-528.3943767973591		-100	-528.3943767973591	-528.3943767973591	0	-550.3816294011249											72.55961381290282	72.55961381290282	72.55961381290282	486.59962338119976	-767.5311540499748	216.60661077301245	300.24033992839725	387.68302753964315	486.51853516799315	592.3009952941605	700.1515842222982	814.5663613010553	-767.5311540499748	-518.1457970723627	-518.1457970723627	-518.1457970723627	90.33475343347857	72.52151364936341	72.52151364936341	72.52151364936341	486.51853516799315	486.51853516799315	486.51853516799315	-772.994	94.32384886881744	72.52151364936341	72.52151364936341	-528.3995512519009							1579. succinate 36: succinic acid -species (eq,buf, means pH=7)	-772.994	W	-631.1437222975355	-596.895665282324	-562.6476082671124	-528.3995512519009	-1.1373195977191735	-494.1514942366893	-459.90343722147776	-425.6553802062662	-528.3995512519009	-494.1514942366894	-425.6553802062662	-459.9034372214779	-596.8956652823241	-562.6476082671126	-528.3995512519009	-494.1514942366894	-459.9034372214779	-528.3943767973591	-509.1289745415182	-512.985056849649	-533.2576008935191	-509.1289745415182	-512.985056849649	-533.2576008935191	-533.2576008935191	95.94319874935695	78.81917024175118	78.81917024175118	78.79237070629608	78.79237070629608	-533.2576008935191	95.94319874935695	78.81917024175118	78.81917024175118	78.79237070629608	78.79237070629608	72.54939181780682	72.52151364936341	72.54939181780684	72.52151364936343	-35.58837940469084	108.14799321759367	96.27250002818366	84.39700683877354	72.52151364936341	60.64602045995341	48.770527270543234	36.89503408113317	108.14799321759368	96.27250002818367	84.39700683877355	72.52151364936343	60.64602045995342	48.77052727054324	36.895034081133176	91.85665624157201	86.63094202746161	81.40522781335099	78.79237070629608	76.17951359924082	72.52151364936341	70.95379938513031	65.72808517101991	60.50237095690946	50.050942528688154	39.59951410046742	91.85665624157201	86.63094202746163	81.40522781335099	78.79237070629608	76.17951359924082	72.52151364936343	70.95379938513031	65.72808517101991	60.50237095690946	50.050942528688154	72.52151364936341	72.52151364936341	72.52151364936341	72.52151364936341	72.52151364936341	72.52151364936343	72.52151364936343	72.52151364936343	72.52151364936343	72.52151364936343	72.52151364936341	72.52151364936341	72.52151364936341	72.52151364936341	72.52151364936341	72.52151364936343	72.52151364936343	72.52151364936343	72.52151364936343	72.52151364936343	78.72983845690067	-518.1457970723627	90.26970437377713	72.45646458966199	72.45646458966199	72.45646458966199	72.45646458966199	78.72983845690067	78.72983845690067	-562.6476082671126	-562.6476082671126	94.23451708396703	-521.5260944613603		1.0623221821055167	0	-522.5884166434658			-772.994
1580. SUCCINYLCoA	SUCCINYLCoA			1631	1580		1679														0																																																	0				SUCCINYLCoA																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1580. SUCCINYLCoA																																											0
1581. succinylcoA 11: -species	succinylcoA 11: -species	succinylcoA-species	CoA-C4H4O3 1-	1632	1581	succinylcoA-species	1680		4	4	0	3	0	0	0	-1	CoA	-1	15	15	100.03999999999999		-	-		-	-	-	-	-	-		-	-	-	-	-	-509.72	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-509.72	-509.72	A	0				succinylcoA 11: -species	0	XX	73.8569051894535	73.828330066799	73.82833006679901	-347.4632734578369	-347.4632734578369		-100	-347.4632734578369	-347.4632734578369	-0.8096889262641842	-367.82945136288276	82.50545323797482	8.64854804852132	28.61126590271185	28.646217169929468							73.8569051894535	73.8569051894535	73.8569051894535	487.89691475775044	-530.2353110850244	217.9134271904481	301.54715634583283	388.98984395707873	487.82535158542873	593.6078117115961	701.4584006397338	815.8731777184909	-530.2353110850244	-363.978406433283	-364.71884302846684	-364.71884302846684	91.64156985091415	73.828330066799	73.828330066799	73.828330066799	487.82535158542873	487.82535158542873	487.82535158542873	-509.72	119.5758269963406	73.828330066799	73.828330066799	-347.46672309419813							1581. succinylcoA 11: -species	-509.72	A	-415.9628371246212	-393.13079911448017	-370.2987611043391	-347.46672309419813	-1.212558211421676	-324.634685084057	-301.80264707391603	-278.970609063775	-347.4667230941982	-324.63468508405714	-278.970609063775	-301.80264707391615	-393.13078512848574	-370.29874711834475	-347.4667091082037	-324.63467109806265	-301.80263308792166	-347.4632734578369	-364.87965385392766	-361.39805117934617	-350.705422855277	-364.87963877157273	-361.3980363219261	-350.705422855277	-350.705422855277	121.19517687688005	104.07114836927428	104.18382919580074	104.16372954420945	104.10087620466925	-350.705422855277	121.19517687688005	104.07114836927428	104.18382919580074	104.16372954420945	104.10087620466925	73.84923869313153	73.828330066799	73.84923869313154	73.82833006679901	-35.59790444557581	109.4548096350293	97.57931644561924	85.70382325620918	73.828330066799	61.952836877389	50.07734368797876	38.20185049856875	109.45480963502932	97.57931644561926	85.70382325620919	73.82833006679901	61.952836877389004	50.07734368797877	38.20185049856876	167.35566534359236	142.079947896087	116.80283312674672	104.16372954420945	91.52424998859819	73.828330066799	66.24412743466797	40.96239441798245	15.67897989156856	-34.893177878340055	-85.47291425084441	167.35566534359236	142.079947896087	116.80283312674672	104.16372954420945	91.52424998859819	73.82833006679901	66.24412743466797	40.96239441798245	15.678979891568563	-34.893177878340055	74.56876666198283	73.9185530790497	73.828330066799	73.76156052317017	73.70862843411047	74.56876666198285	73.91855307904972	73.82833006679901	73.76156052317019	73.70862843411048	73.828330066799	73.828330066799	73.828330066799	73.828330066799	73.828330066799	73.82833006679901	73.82833006679901	73.82833006679901	73.82833006679901	73.82833006679901	104.05399014293226	-364.8385298037353	91.47309628086958	73.65985649675444	73.71278767150265	73.77955606180153	74.51997986720674	104.05399014293226	104.05399014293226	-370.29874711834475	-370.29874711834475	119.50884214369722	-366.4089917229656		0.5311610910527583	-0.1770536970175861	-367.11720651103593	0.001		-509.72
1582. succinylcoA 12: -species	succinylcoA 12: -species	succinylcoA-species	CoA-C4H5O3	1633	1582	succinylcoA-species	1681		4	5	0	3	0	0	0	0	CoA	-1	15	15	101.03999999999999		-	-		-	-	-	-	-	-		-	-	-	-	-	-533.76	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-533.76	-533.76	A	0				succinylcoA 12: -species	0	XX	91.15400128649614	91.12542616384164	91.12542616384165	-329.9269806644659	-329.9269806644659		-100	-329.9269806644659	-329.9269806644659	0	-351.1036959188717		-8.64854804852132	0.03495126721761785								91.15400128649614	91.15400128649614	91.15400128649614	505.1940108547931	-555.2428777461009	217.39728350337555	306.96875925346535	400.34919345941637	505.1224476824714	616.8426544033438	730.6309899261865	850.9835135996486	-555.2428777461009	-347.4217469314242	-347.4217469314242	-347.4217469314242	108.93866594795679	91.12542616384164	91.12542616384164	91.12542616384164	505.1224476824714	505.1224476824714	505.1224476824714	-533.76	137.1112573806214	91.12542616384164	91.12542616384164	-329.93129270991733							1582. succinylcoA 12: -species	-533.76	A	-415.55143524794624	-387.01138773527	-358.47134022259365	-329.93129270991733	-1.2762817692671569	-301.39124519724106	-272.85119768456474	-244.31115017188847	-329.93129270991744	-301.3912451972411	-244.31115017188847	-272.85119768456485	-387.01138773527003	-358.47134022259377	-329.93129270991744	-301.3912451972411	-272.85119768456485	-329.9269806644659	-346.4165404985008	-343.12113007916275	-333.97966741126595	-346.4165404985008	-343.12113007916275	-333.97966741126595	-333.97966741126595	137.9209323208911	120.79690381328533	120.79690381328533	120.77680416169403	120.77680416169403	-333.97966741126595	137.9209323208911	120.79690381328533	120.79690381328533	120.77680416169403	120.77680416169403	91.14633479017417	91.12542616384164	91.14633479017418	91.12542616384165	-17.784664661460624	108.93866594795676	103.00091935325176	97.06317275854676	91.12542616384164	85.18767956913663	79.24993297443152	73.31218637972651	108.93866594795678	103.00091935325177	97.06317275854677	91.12542616384165	85.18767956913665	79.24993297443153	73.31218637972653	182.55050832388622	157.8410266590094	133.13154499413238	120.77680416169403	108.42206332925544	91.12542616384164	83.7125816643786	59.0030999995016	34.293618334624824	-15.12534499512941	-64.54430832488319	182.55050832388622	157.8410266590094	133.13154499413238	120.77680416169403	108.42206332925544	91.12542616384165	83.7125816643786	59.0030999995016	34.293618334624824	-15.12534499512941	91.12542616384164	91.12542616384164	91.12542616384164	91.12542616384164	91.12542616384164	91.12542616384165	91.12542616384165	91.12542616384165	91.12542616384165	91.12542616384165	91.12542616384164	91.12542616384164	91.12542616384164	91.12542616384164	91.12542616384164	91.12542616384165	91.12542616384165	91.12542616384165	91.12542616384165	91.12542616384165	120.72990497464741	-347.4217469314242	108.88987915318069	91.07663936906555	91.07663936906555	91.07663936906555	91.07663936906555	120.72990497464741	120.72990497464741	-358.47134022259377	-358.47134022259377	137.04425854198348	-350.2386614222555		0.8852684850879307	0	-351.12392990734344	0.001		-533.76
1583. succinylcoA 13: -blend	succinylcoA 13: -blend	succinylcoA-reactant		1634	1583	succinylcoA-reactant	1682		4	?	0	3	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				succinylcoA 13: -reactant	0	XX						-347.47										73.85375695771233					73.85375695771233		73.85375695771233	73.85375695771233	487.8937665260093	-555.2429808140989	215.92366418009965	301.2834383348667	388.96461003283275	487.8230408701113	593.607601003019	701.4583814331205	815.8731759678215	-555.2429808140989	-363.9815209803406	-364.7211537437843	-364.7211537437843	91.63925913559667	73.82601935148152	73.82601935148152	73.82601935148152	487.8230408701113	487.8230408701113	487.8230408701113	-533.7601522754443	119.573728005074	73.82601935148152	73.82601935148152	-347.46882208546475	0.9999966100252244	-2137.8	-169.9600888302975			-2140.5	1583. succinylcoA 13: -reactant	-	A	-417.48394289705	-393.33236564114736	-370.31967146638044	-347.46882208546475	-1.2125478669264518	-324.6348950631787	-301.8026680726286	-278.97061116365427	-347.4688220854648	-324.6348950631788	-278.97061116365427	-301.8026680726287	-393.33235274736523	-370.31965759786414	-347.46880811130757	-324.63488107836895	-301.8026540867527	-347.4653717193173	-364.8810977801207	-361.39960769897823	-350.70833215557946	-364.8810827065483	-361.3995928508841	-350.70833215557946	-350.70833215557946	121.19226757657762	104.06823906897185	104.18078468490593	104.16068503331464	104.09790787059153	-350.70833215557946	121.19226757657762	104.06823906897185	104.18078468490593	104.16068503331464	104.09790787059153	73.84692797781405	73.82601935148152	73.84692797781406	73.82601935148153	-33.61128966696853	107.46504662468087	97.31559843465308	85.67858933196318	73.82601935148152	61.952626168811946	50.07732448136548	38.20184874789942	107.4650466246809	97.3155984346531	85.6785893319632	73.82601935148153	61.95262616881195	50.077324481365494	38.201848747899426	167.3502730286626	142.07565578023377	116.79941881375439	104.16068503331464	91.52153566017292	73.82601935148152	66.24197098506806	40.960682337631106	15.677621557960853	-34.894031017304464	-85.4734484326348	167.3502730286626	142.07565578023377	116.79941881375439	104.16068503331464	91.52153566017292	73.82601935148153	66.24197098506806	40.960682337631106	15.677621557960858	-34.894031017304464	74.56565211492527	73.9161567561882	73.82601935148152	73.75931118733251	73.70642659712125	74.56565211492529	73.91615675618822	73.82601935148153	73.75931118733253	73.70642659712126	73.82601935148152	73.82601935148152	73.82601935148152	73.82601935148152	73.82601935148152	73.82601935148153	73.82601935148153	73.82601935148153	73.82601935148153	73.82601935148153	104.0510217931475	-364.8407316539152	91.47089443068965	73.65765464657451	73.71053832301911	73.77724533456781	74.51686532014918	104.0510217931475	104.0510217931475	-370.31965759786414	-370.31965759786414	102.38271463298756						0.001		-
1584. succinylcoA 14: -species	succinylcoA 14: -species	succinylcoA-species	CoA-C4H5O3	1635	1584	succinylcoA-species	1683		25	35	7	19	3	1	0	0		-1	15	15	862.29	-3706.9	-	-		-	-	-	-	-	-		-	-	-	-	-	-533.76	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3706.9	-3706.9	E	0				succinylcoA 14: -species	-4633.625	=1.25*BW1684	657.7972771633316																					657.7972771633316	657.7972771633316	657.7972771633316	4282.517371205432	-3669.6009894348485	1955.1624972064474	2688.7385350619893	3446.9272676554274	4281.397297811746	5167.8491301872655	6070.13120843885	7013.7904786238505	-3669.6009894348485	-2214.8530737321116	-2214.8530737321116	-2214.8530737321116	675.4295411706344	657.6163013865192	2037.3269608898672	2187.5209174918696	4775.002301983306	2444.415108091062	4281.397297811746	-3706.9	677.8371016039905			-2280.099048969422							1584. succinylcoA 14: -species	-3706.9	E	-2879.440046735624	-2679.65971414689	-2479.8793815581557	-2280.099048969422	-1.28849504474845	-2080.3187163806874	-1880.5383837919535	-1680.7580512032193			-1680.7580512032193																														657.7972771633316															674.2616724930768	669.762923545359	665.2641745976397	663.0148001237819	660.7654256499233	657.6163013865192	656.266676702204	651.767927754487	647.2691788067688	638.271680911331	629.274183015895
1585. SUCROSE	SUCROSE			1636	1585		1684														0																																																	0				SUCROSE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1585. SUCROSE																																											0
1586. sucrose-species (aq)	sucrose-species (aq)	sucrose-species (aq)	C12H22O11	1637	1586	sucrose-species (aq)	1686	57-50-1	12	22	0	11	0	0	0	0		0	48	48	342.12		-370.8	-	-1551.4272	1551.85	-	-	-	-	-370.9	-1551.8455999999999	-	-	-	-	-	-1564.7	-	-	-	-	-529.6	-2215.8464000000004	-	-	-	-	-	-	-2199.87	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1564.7	-1564.7	A	0				sucrose-species (aq)	-2199.87	A	1030.8904725670516	1030.785697117318	1030.785697117318	-667.8347149236502	-667.8347149236502	-667.85	0.002288751394363686	-667.83471492365	-667.83471492365	0	-702.7905651171761											1030.8904725670516	1030.8904725670516	1030.8904725670516	2273.0105012719423	-1539.1355525742076	1356.1615497835749	1642.6892168179593	1940.6437592199272	2272.776761673207	2625.75062161994	2984.9288679725832	3363.7996787770844	-1539.1355525742076	-624.72257698963	-624.72257698963	-624.72257698963	1048.5989369014333	1030.785697117318	1030.785697117318	1030.785697117318	2272.776761673207	2272.776761673207	2272.776761673207	-1564.7	1044.6356624083387	1030.785697117318	1030.785697117318	-667.8536879236366	1.0000055220837563	-671.9	0.0014876916350396127	-1.6322639029416335	-1.6337515945766732	-674.3	1586. sucrose-species (aq)	-1564.7	A	-1044.5823150909637	-919.0061060351879	-793.4298969794122	-667.8536879236366	-2.5435873024405984	-542.2774788678607	-416.701269812085	-291.1250607563095	-667.8536879236369	-542.2774788678612	-291.1250607563095	-416.70126981208546	-919.0061060351883	-793.4298969794125	-667.8536879236369	-542.2774788678612	-416.70126981208546	-667.8347149236502	-590.277391307608	-605.7998628396796	-685.6665366095704	-590.277391307608	-605.7998628396796	-685.6665366095704	-685.6665366095704	1044.6356624083387	1027.511633900733	1027.511633900733	1027.4379351782316	1027.4379351782316	-685.6665366095704	1044.6356624083387	1027.511633900733	1027.511633900733	1027.4379351782316	1027.4379351782316	1030.8623620805377	1030.785697117318	1030.8623620805377	1030.785697117318	0.10477544973309705	1030.7856971173185	1030.7856971173185	1030.7856971173185	1030.785697117318	1030.7856971173187	1030.7856971173183	1030.7856971173185	1030.7856971173185	1030.7856971173185	1030.7856971173185	1030.785697117318	1030.7856971173187	1030.7856971173183	1030.7856971173185	1020.4634311384667	1023.2532327543729	1026.0430343702787	1027.4379351782316	1028.8328359861844	1030.785697117318	1031.6226376020904	1034.4124392179963	1037.2022408339021	1042.781844065713	1048.361447297525	1020.4634311384667	1023.2532327543729	1026.0430343702787	1027.4379351782316	1028.8328359861844	1030.785697117318	1031.6226376020904	1034.4124392179963	1037.2022408339021	1042.781844065713	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1030.785697117318	1027.265971492394	-624.72257698963	1048.4200519872547	1030.6068122031395	1030.6068122031395	1030.6068122031395	1030.6068122031395	1027.265971492394	1027.265971492394	-793.4298969794125	-793.4298969794125	1044.3899999999999	-637.1170007492879		3.8951813343868946	0	-641.0121820836747	0.001		-1564.7
1587. sucrose-species (aq)	sucrose-species (aq)	sucrose-species (aq)	C12H22O11	1638	1587	sucrose-species (aq)	1687	57-50-1	12	22	0	11	0	0	0	0		0	48	48	342.12		-370.8	-	-1551.4272	1551.85	-	-	-	-	-370.9	-1551.8455999999999	-	-	-	-	-	-1564.7	-	-	-	-	-529.6	-2215.8464000000004	-	-	-	-	-	-	-2199.87	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1551.4272	-1551.4272	WT	-1536.3648	-367.2	-15.062400000000025		sucrose-species (aq)	-2215.8464000000004	A	1045.3405001370668	1045.2357246873332	1045.2357246873332	-654.5619149236502	-654.5619149236502		-100	-654.5619149236501	-654.5619149236501	0	-689.5177651171762											1045.3405001370668	1045.3405001370668	1045.3405001370668	2287.460528841958	-1524.6855250041926	1370.61157735359	1657.1392443879743	1955.0937867899422	2287.226789243223	2640.2006491899547	2999.378895542598	3378.2497063470996	-1524.6855250041926	-610.2725494196151	-610.2725494196151	-610.2725494196151	1063.0489644714485	1045.2357246873332	1045.2357246873332	1045.2357246873332	2287.226789243223	2287.226789243223	2287.226789243223	-1551.4272	1057.908462408339	1045.2357246873332	1045.2357246873332	-654.5808879236366		-671.9		-6.986451104052114		-674.3	1587. sucrose-species (aq)	-1551.4272	WT	-1031.3095150909635	-905.733306035188	-780.1570969794122	-654.5808879236366	-2.5969615358812863	-529.0046788678608	-403.42846981208504	-277.85226075630953	-654.580887923637	-529.0046788678612	-277.85226075630953	-403.4284698120855	-905.7333060351883	-780.1570969794126	-654.580887923637	-529.0046788678612	-403.4284698120855	-654.5619149236502	-575.5330568450893	-591.3498352696646	-672.3937366095704	-575.5330568450893	-591.3498352696646	-672.3937366095704	-672.3937366095704	1057.9084624083387	1040.784433900733	1040.784433900733	1040.7107351782315	1040.7107351782315	-672.3937366095704	1057.9084624083387	1040.784433900733	1040.784433900733	1040.7107351782315	1040.7107351782315	1045.3123896505524	1045.2357246873332	1045.3123896505524	1045.2357246873332	0.10477544973309705	1045.2357246873337	1045.2357246873335	1045.2357246873335	1045.2357246873332	1045.2357246873337	1045.2357246873332	1045.2357246873335	1045.2357246873337	1045.2357246873335	1045.2357246873335	1045.2357246873332	1045.2357246873337	1045.2357246873332	1045.2357246873335	1031.283673700935	1035.0544982918539	1038.825322882772	1040.7107351782315	1042.5961474736905	1045.2357246873332	1046.3669720646092	1050.1377966555278	1053.9086212464458	1061.450270428282	1068.9919196101196	1031.283673700935	1035.0544982918539	1038.825322882772	1040.7107351782315	1042.5961474736905	1045.2357246873332	1046.3669720646092	1050.1377966555278	1053.9086212464458	1061.450270428282	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1045.2357246873332	1040.538771492394	-610.2725494196151	1062.8700795572695	1045.0568397731543	1045.0568397731543	1045.0568397731543	1045.0568397731543	1040.538771492394	1040.538771492394	-780.1570969794126	-780.1570969794126	1057.6627999999998	-622.6669731792729		3.8951813343868946	0	-626.5621545136597	0.001		-1551.4272
1588. sucrose-species (aq)	sucrose-species (aq)	sucrose-species (aq)	C12H22O11	1639	1588	sucrose-species (aq)	1688	57-50-1	12	22	0	11	0	0	0	0		0	48	48	342.12	-1568.2	-370.8	-	-1551.4272	1551.85	-	-	-	-	-370.9	-1551.8455999999999	-	-	-	-	-	-1564.7	-	-	-	-	-529.6	-2215.8464000000004	-	-	-	-	-	-	-2199.87	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1568.2	-1568.2	E	0				sucrose-species (aq)	-2215.8464000000004	<A	1027.8926251747992																					1027.8926251747992	1027.8926251747992	1027.8926251747992	2270.0126538796903	-1542.13339996646	1353.1637023913224	1639.6913694257069	1937.6459118276748	2269.778914280955	2622.7527742276875	2981.931020580331	3360.8018313848324	-1542.13339996646	-627.7204243818825	-627.7204243818825	-627.7204243818825	1045.6010895091808	1027.7878497250656	1027.7878497250656	1027.7878497250656	2269.778914280955	2269.778914280955	2269.778914280955	-1568.2	1041.1356624083387			-671.3536879236366							1588. sucrose-species (aq)	-1568.2	E	-1048.0823150909637	-922.5061060351879	-796.9298969794122	-671.3536879236366	-2.5310746684863927	-545.7774788678607	-420.201269812085	-294.6250607563095			-294.6250607563095																														1027.8926251747992															1015.9172798723254	1019.1255419946881	1022.3338041170499	1023.9379351782316	1025.5420662394126	1027.7878497250656	1028.750328361775	1031.9585904841376	1035.1668526064996	1041.5833768512236	1047.9999010959489
1589. sucrose-species (cr)	sucrose-species (cr)	sucrose-species (cr)	C12H22O11	1640	1589	sucrose-species (cr)	1685		12	22	0	11	0	0	0	0		0	48	48	342.12		-369.1	-	-1544.3144000000002	-	-	-	-	-	-369.2	-1544.7328	-	-	-	-	-	-	-	-	-2226.1	-	-531	-2221.704	-	-	-	-	-	-	-	-532	-2225.888	-	-	-	-	-	-	-	-	-	-	-	1	0	-1544.3144000000002	-1544.3144000000002	W	0				sucrose-species (cr)	-2199.87	X<-crA	1069.9097960003369	1069.8050205506033	1069.8050205506033	-647.4491149236503	-647.4491149236503		-100	-647.4491149236502	-647.4491149236502	0	-665.2809366095705											1069.9097960003369	1069.9097960003369	1069.9097960003369	2312.029824705228	-1517.9294689250378	1395.1808732168602	1681.7085402512444	1979.6630826532123	2311.7960851064927	2664.769945053225	3023.9481914058683	3402.81900221037	-1517.9294689250378	-603.5164933404602	-603.5164933404602	-603.5164933404602	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	2311.7960851064927	2311.7960851064927	2311.7960851064927	-1544.3144000000002	1065.0212624083388	1069.8050205506033	1069.8050205506033	-647.4680879236367							1589. sucrose-species (cr)	-1544.3144000000002	W	-1024.1967150909636	-898.6205060351881	-773.0442969794124	-647.4680879236367	-2.652451782498543	-521.8918788678609	-396.31566981208516	-270.73946075630965	-647.4680879236371	-521.8918788678614	-270.73946075630965	-396.3156698120856	-898.6205060351884	-773.0442969794127	-647.4680879236371	-521.8918788678614	-396.3156698120856	-647.4491149236503	-568.8661867461458	-584.5937791905097	-665.2809366095705	-568.8661867461458	-584.5937791905097	-665.2809366095705	-665.2809366095705	1065.0212624083385	1065.0212624083385	1065.0212624083385	1064.9475636858372	1064.9475636858372	-665.2809366095705	1065.0212624083385	1065.0212624083385	1065.0212624083385	1064.9475636858372	1064.9475636858372	1069.8816855138225	1069.8050205506033	1069.8816855138225	1069.8050205506033	0.10477544973309705	1069.8050205506038	1069.8050205506036	1069.8050205506036	1069.8050205506033	1069.8050205506038	1069.8050205506033	1069.8050205506036	1069.8050205506038	1069.8050205506036	1069.8050205506036	1069.8050205506033	1069.8050205506038	1069.8050205506033	1069.8050205506036	1239.287865238257	1169.5517446172894	1099.815623996321	1064.9475636858372	1030.079503375353	981.2642189406753	960.3433827543854	890.6072621334172	820.8711415124493	681.3989002705118	541.9266590285765	1054.8278618842405	1058.8757426048792	1062.9236233255178	1064.9475636858372	1066.9715040461565	1069.8050205506033	1071.0193847667952	1075.0672654874336	1079.115146208072	1087.2109076493482	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1069.8050205506033	1064.7755999999997	-603.5164933404602	1069.6261356364244	1069.6261356364244	1069.6261356364244	1069.6261356364244	1069.6261356364244	1064.7755999999997	1064.7755999999997	-773.0442969794127	-773.0442969794127	1064.7755999999997	-615.910917100118		3.8951813343868946	0	-619.8060984345049			-1544.3144000000002
1590. SULFATE	SULFATE			1643	1590		1691														0																																																	0				SULFATE																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1590. SULFATE																																											0
1591. sulfate 11: sulfuric acid (l) (SVI)	sulfate 11: sulfuric acid (l) (SVI)	sulfuric acid (l)		1644	1591	sulfuric acid (l)	1692		0	2	0	4	0	1	0	0		-6	-8	0	98.06		-	-690.003		-	-690	-	-	-	-		-	-	-	-	-	-	-	-	-814	-813.989	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	156.904	-	-	-	-	1	0	-690.003	-690.003	Z	0				sulfate 11: sulfuric acid (l) (SVI)	-813.989	Z	6.634315975294953	6.596215811755542	6.596215811755542	-608.4697922657864	-608.4697922657864		-100	-608.4697922657864	-608.4697922657864	0	-610.0908669645064											6.634315975294953	6.634315975294953	6.634315975294953	156.7901785845886	-685.0127870199565	121.17547760727324	133.04025439461373	144.91476848725108	156.79017241375777	168.66565746678555	180.5411499145714	192.41664303638322	-685.0127870199565	-601.8843346940857	-601.8843346940857	-601.8843346940857	6.596215811755542	6.596215811755542	6.596215811755542	156.79017241375777	156.79017241375777	156.79017241375777	156.79017241375777	-690.003	14.251883036751337	6.596215811755542	6.596215811755542	-608.471517083967							1591. sulfate 11: sulfuric acid (l) (SVI)	-690.003	Z	-642.7195740991785	-631.303555094108	-619.8875360890376	-608.471517083967	-1.010903248203119	-597.0554980788964	-585.6394790738259	-574.2234600687555	-608.471517083967	-597.0554980788966	-574.2234600687555	-585.639479073826	-631.3035550941081	-619.8875360890376	-608.471517083967	-597.0554980788966	-585.639479073826	-608.4697922657864	-598.0864111012954	-600.1640879531813	-610.0908669645064	-598.0864111012954	-600.1640879531813	-610.0908669645064	-610.0908669645064	19.10993267836966	19.10993267836966	19.10993267836966	19.083133142914562	19.083133142914562	-610.0908669645064	19.10993267836966	19.10993267836966	19.10993267836966	19.083133142914562	19.083133142914562	6.62409398019895	6.596215811755542	6.62409398019895	6.596215811755542	-106.84133854115146	113.47565451644641	77.84917494821616	42.22269537998591	6.596215811755542	-29.03026375647471	-64.65674332470508	-100.28322289293533	113.47565451644641	77.84917494821616	42.22269537998591	6.596215811755542	-29.03026375647471	-64.65674332470508	-100.28322289293533	45.097544249495286	34.691779806863224	24.286015364230593	19.083133142914562	13.880250921598304	6.596215811755542	3.4744864789657868	-6.931277963666389	-17.33704240629868	-38.14857129156405	-58.96010017682869	45.097544249495286	34.691779806863224	24.286015364230593	19.083133142914562	13.880250921598304	6.596215811755542	3.4744864789657868	-6.931277963666389	-17.33704240629868	-38.14857129156405	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	6.596215811755542	19.020600893519145	-601.8843346940857	6.531166752054105	6.531166752054105	6.531166752054105	6.531166752054105	6.531166752054105	19.020600893519145	19.020600893519145	-619.8875360890376	-619.8875360890376	14.162551251900936	-603.0111004904184		0.3541073940351722	0	-603.3652078844535			-690.003
1592. sulfate 20	sulfate 20			1645	1592		1693														0																																																	0				sulfate 20																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1592. sulfate 20																																											0
1593. sulfate 21: 2- -species (SVI)	sulfate 21: 2- -species (SVI)	sulfate2- -species (SVI)	SO4 2-	1646	1593	sulfate2- -species (SVI)	1694		0	0	0	4	0	1	0	-2		-6	-8	0	96.06		-	-744.53		-744.63	-744.5	-	-	-	-177.34	-741.9905600000001	-	-	-	-	-744.0044953	-744.53	-	-	-909.3	-909.27	-		-909.34	-	-	-	-	-	-909.27	-	-	-	-	-	-	-	-	20.1	-	-	-	-	0.001	-17.813239784115144	-744.53	-744.53	AZ	0				sulfate 21: 2- -species (SVI)	-909.27	AZ	-150.15584748607856	-150.19394764961797	-150.19394764961797	-747.7687557050567	-747.7687557050567		-100	-747.7687557050567	-747.7687557050567	-3.238755705056737	-764.8927842126625	-134.62341323647038	15.532434249608173	412.9336587262158	412.93608042272535							-150.15584748607856	-150.15584748607856	-150.15584748607856	1.5123215092671671E-5	-737.8995119906087	0.01179371413010255	0.0010773120604667952	9.821528769293764E-5	8.952384263238855E-6	8.160020286140934E-7	7.437776616825431E-8	6.779487193853129E-9	-737.8995119906087	-737.8995119906087	-740.8612583713441	-740.8612583713441	-132.3807078655028	-150.19394764961797	-150.19394764961797	8.952384263238855E-6	8.952384263238855E-6	8.952384263238855E-6	8.952384263238855E-6	-744.53	-125.04535558433838	-150.19394764961797	-150.19394764961797	-747.7687557050567							1593. sulfate 21: 2- -species (SVI)	-744.53	AZ	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-0.799194809437445	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7686997610788	-747.7686997610788	-747.7686997610788	-747.7686997610788	-747.7686997610788	-747.7687557050567	-739.734531368051	-741.3400649020982	-747.7687557050567	-739.7344710386312	-741.3400054724179	-747.7687557050567	-747.7687557050567	-118.56795606218066	-135.69198456978643	-135.2412612636807	-135.2680607991358	-135.5194741572966	-747.7687557050567	-118.56795606218066	-135.69198456978643	-135.2412612636807	-135.2680607991358	-135.5194741572966	-150.16606948117456	-150.19394764961797	-150.16606948117456	-150.19394764961797	-142.46781810938182	-7.688029376696726	-55.1900021343371	-102.69197489197748	-150.19394764961797	-197.69592040725823	-245.19789316489872	-292.69986592253906	-7.688029376696722	-55.19000213433709	-102.69197489197747	-150.19394764961797	-197.69592040725823	-245.19789316489872	-292.69986592253906	-104.1997156415186	-116.62282621557439	-129.05152607696945	-135.2680607991358	-141.48609941359726	-150.19394764961797	-153.9268304133525	-166.37400326412825	-178.82790215381866	-203.7570148015198	-228.71644185960534	-104.1997156415186	-116.62282621557438	-129.05152607696945	-135.2680607991358	-141.48609941359726	-150.19394764961797	-153.9268304133525	-166.37400326412825	-178.82790215381866	-203.7570148015198	-147.23220126888262	-149.83305560061515	-150.19394764961797	-150.46102582413326	-150.6727541803721	-147.23220126888262	-149.83305560061515	-150.19394764961797	-150.46102582413326	-150.6727541803721	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-135.58195390545336	-741.3400054724179	-132.9245040262781	-150.73774381039325	-150.52601911140053	-150.2589455502049	-147.29725032858406	-135.58195390545336	-135.58195390545336	-747.7686997610788	-747.7686997610788	-125.13463142521084	-738.6077267786791		-0.7082147880703444	-0.7082147880703444	-738.6077267786791	0.001		-744.53
1594. sulfate 21: sulfate- -species	sulfate 21: sulfate- -species	sulfate- -species	HSO4 -	1647	1594	sulfate- -species	1695		0	1	0	4	0	1	0	-1		-6	-8	0	97.06		-	-755.91		-756.01	-755.9	-	-	-	-		-	-	-	-	-755.32	-755.91	-	-	-887.3	-887.34	-		-886.9	-	-	-	-		-887.34	-	-	-	-	-	-	-	-	131.8	-	-	-	-	0.001	-17.813239784115144	-755.91	-755.91	AZ	0				sulfate 21: sulfate- -species	-887.34	AZ	-119.09097898686221	-119.12907915040162	-119.12907915040161	-715.9530850591573	-715.9530850591573		-100	-715.9530850591573	-715.9530850591573	-0.8096889262641842	-733.8876509161231		-15.532434249608173	0.0024216965095185477								-119.09097898686221	-119.09097898686221	-119.09097898686221	31.064883622431438	-750.6201794398793	13.263422429231323	19.19045262186669	25.12722011979892	31.06487745160061	37.00261590992338	42.94036176300423	48.87810829011093	-750.6201794398793	-709.0559532769439	-709.7963898721277	-709.7963898721277	-101.31583936628647	-119.12907915040162	-119.12907915040162	31.06487745160061	31.06487745160061	31.06487745160061	31.06487745160061	-755.91	-93.23054734752918	-119.12907915040162	-119.12907915040162	-715.9539474682475							1594. sulfate 21: sulfate- -species	-755.91	AZ	-733.0779759758533	-727.3699664733181	-721.6619569707829	-715.9539474682475	-0.8336611182772424	-710.2459379657123	-704.5379284631771	-698.8299189606417	-715.9539474682476	-710.2459379657123	-698.8299189606417	-704.5379284631771	-727.3699524873236	-721.6619429847884	-715.9539334822532	-710.2459239797179	-704.5379144771827	-715.9530850591573	-707.3314733079716	-709.0559681343641	-716.7636224085173	-707.3314582256166	-709.0559532769439	-716.7636224085173	-716.7636224085173	-87.56282276564127	-104.68685127324704	-104.5741704467207	-104.6009699821758	-104.663823321716	-716.7636224085173	-87.56282276564127	-104.68685127324704	-104.5741704467207	-104.6009699821758	-104.663823321716	-119.10120098195821	-119.12907915040162	-119.1012009819582	-119.12907915040161	-124.6545783252667	5.563599338404494	-36.000626824530876	-77.56485298746625	-119.12907915040162	-160.69330531333688	-202.25753147627225	-243.82175763920762	5.563599338404497	-36.00062682453087	-77.56485298746624	-119.12907915040161	-160.69330531333688	-202.25753147627225	-243.82175763920762	-74.34088899359409	-86.44386451677885	-98.54823736179887	-104.6009699821758	-110.65407857562654	-119.12907915040162	-122.7614592052364	-134.8704502976014	-146.98112289969495	-171.20779682096264	-195.44204934482596	-74.34088899359409	-86.44386451677883	-98.54823736179887	-104.6009699821758	-110.65407857562654	-119.12907915040161	-122.7614592052364	-134.8704502976014	-146.98112289969495	-171.20779682096264	-118.38864255521779	-119.03885613815092	-119.12907915040162	-119.1958486940305	-119.24878078309021	-118.38864255521777	-119.0388561381509	-119.12907915040161	-119.19584869403049	-119.2487807830902	-119.12907915040162	-119.12907915040162	-119.12907915040162	-119.12907915040162	-119.12907915040162	-119.12907915040161	-119.12907915040161	-119.12907915040161	-119.12907915040161	-119.12907915040161	-104.72634244580172	-709.9160766473962	-101.50057520125631	-119.31381498537145	-119.26088381062335	-119.19411542032437	-118.45369161491921	-104.72634244580172	-104.72634244580172	-721.6619429847884	-721.6619429847884	-93.31986514638527	-709.7963898721277		0	-0.1770536970175861	-709.9734435691454	0.001		-755.91
1595. sulfate 21: sulfate-blend	sulfate 21: sulfate-blend	sulfate-reactant		1648	1595	sulfate-reactant	1696		0	?	0	4	0	1	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	AZ	0				sulfate 21: sulfate-reactant	-	AZ						-747.77										-150.15586260929365					-150.15586260929365		-150.15586260929365	-150.15586260929365	0	-750.6347818565258	0	0	0	0	0	0	0	-750.6347818565258	-737.8995339234157	-740.8612673237284	-740.8612673237284	-132.38071681788708	-150.19395660200223	-150.19395660200223	0	0	0	0	-755.9350256438512	-125.04536219972395	-150.19395660200223	-150.19395660200223	-747.7687623204423	0.9999983448392451	-748.1	-4.99274308870992E-4	-0.13361977460772903	-0.13312050029885802	-747.7	1595. sulfate 21: sulfate-reactant	-	AZ	-747.7753622881453	-747.7694171562429	-747.768821858118	-747.7687623204423	-0.7991947909894809	-747.7687563665961	-747.7687557712106	-747.7687557116722	-747.7687623204423	-747.7687563665961	-747.7687557116722	-747.7687557712106	-747.769361223459	-747.7687659152598	-747.7687063765763	-747.7687004226293	-747.7686998272338	-747.7687623181413	-739.7345365859825	-741.3400703765353	-747.7687648757856	-739.734476256658	-741.3400109469535	-747.7687648757856	-747.7687648757856	-118.56796523290946	-135.69199374051522	-135.24127177424936	-135.26807130970445	-135.51948389803758	-747.7687648757856	-118.56796523290946	-135.69199374051522	-135.24127177424936	-135.26807130970445	-135.51948389803758	-150.16607843355882	-150.19395660200223	-150.16607843355882	-150.19395660200223	-142.4560395184668	-7.699823090826828	-55.191079446397566	-102.69207310726517	-150.19395660200223	-197.69592122326026	-245.19789323927648	-292.69986592931855	-7.699823090826825	-55.19107944639755	-102.69207310726516	-150.19395660200223	-197.69592122326026	-245.19789323927648	-292.69986592931855	-104.19973020373949	-116.62283901358703	-129.0515373055029	-135.26807130970445	-141.486109247633	-150.19395660200223	-153.9268390100458	-166.3740107645321	-178.82790868443377	-203.75701972069498	-228.71644553113734	-104.19973020373949	-116.62283901358701	-129.0515373055029	-135.26807130970445	-141.486109247633	-150.19395660200223	-153.9268390100458	-166.3740107645321	-178.82790868443377	-203.75701972069498	-147.23222320168955	-149.8330655858386	-150.19395660200223	-150.4610340815884	-150.67276192546024	-147.23222320168955	-149.8330655858386	-150.19395660200223	-150.4610340815884	-150.67276192546024	-150.19395660200223	-150.19395660200223	-150.19395660200223	-150.19395660200223	-150.19395660200223	-150.19395660200223	-150.19395660200223	-150.19395660200223	-150.19395660200223	-150.19395660200223	-135.58196364634907	-741.3400132176454	-132.9245117715055	-150.73775155562066	-150.526027368995	-150.25895450272773	-147.297272261391	-135.58196364634907	-135.58196364634907	-747.7687659152598	-747.7687659152598	-142.25866654831415						0.001		-
1596. sulfate 30:	sulfate 30:			1649	1596		1697														0																																																	0				sulfate 30:																										0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1596. sulfate 30:																																											0
1597. sulfate 31: sulfate2- -species	sulfate 31: sulfate2- -species	sulfate2- -species	SO4 2-	1650	1597	sulfate2- -species	1698		0	0	0	4	0	1	0	-2		-6	-8	0	96.06		-	-744.53		-744.63	-744.5	-	-	-	-177.34	-741.9905600000001	-	-	-	-	-744.0044953	-744.53	-	-	-909.3	-909.27	-		-909.34	-	-	-	-	-	-909.27	-	-	-	-	-	-	-	-	20.1	-	-	-	-	0.001	-17.813239784115144	-744.53	-744.53	AZC	0				sulfate 31: sulfate2- -species	-909.27	AZC	-150.15584748607856	-150.19394764961797	-150.19394764961797	-747.7687557050567	-747.7687557050567		-100	-747.7687557050567	-747.7687557050567	-3.238755705056737	-764.8927842126625	-111.10415841747108	39.05168906860747	3774447.8719934197	3774470.0076732044							-150.15584748607856	-150.15584748607856	-150.15584748607856	1.5123215092671671E-5	-737.8995119906087	0.01179371413010255	0.0010773120604667952	9.821528769293764E-5	8.952384263238855E-6	8.160020286140934E-7	7.437776616825431E-8	6.779487193853129E-9	-737.8995119906087	-737.8995119906087	-740.8612583713441	-740.8612583713441	-132.3807078655028	-150.19394764961797	-150.19394764961797	8.952384263238855E-6	8.952384263238855E-6	8.952384263238855E-6	8.952384263238855E-6	-744.53	-125.04535558433838	-150.19394764961797	-150.19394764961797	-747.7687557050567							1597. sulfate 31: sulfate2- -species	-744.53	AZC	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-0.799194809437445	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7687557050567	-747.7686997610788	-747.7686997610788	-747.7686997610788	-747.7686997610788	-747.7686997610788	-747.7687557050567	-739.734531368051	-741.3400649020982	-747.7687557050567	-739.7344710386312	-741.3400054724179	-747.7687557050567	-747.7687557050567	-118.56795606218066	-135.69198456978643	-135.2412612636807	-135.2680607991358	-135.5194741572966	-747.7687557050567	-118.56795606218066	-135.69198456978643	-135.2412612636807	-135.2680607991358	-135.5194741572966	-150.16606948117456	-150.19394764961797	-150.16606948117456	-150.19394764961797	-142.46781810938182	-7.688029376696726	-55.1900021343371	-102.69197489197748	-150.19394764961797	-197.69592040725823	-245.19789316489872	-292.69986592253906	-7.688029376696722	-55.19000213433709	-102.69197489197747	-150.19394764961797	-197.69592040725823	-245.19789316489872	-292.69986592253906	-104.1997156415186	-116.62282621557439	-129.05152607696945	-135.2680607991358	-141.48609941359726	-150.19394764961797	-153.9268304133525	-166.37400326412825	-178.82790215381866	-203.7570148015198	-228.71644185960534	-104.1997156415186	-116.62282621557438	-129.05152607696945	-135.2680607991358	-141.48609941359726	-150.19394764961797	-153.9268304133525	-166.37400326412825	-178.82790215381866	-203.7570148015198	-147.23220126888262	-149.83305560061515	-150.19394764961797	-150.46102582413326	-150.6727541803721	-147.23220126888262	-149.83305560061515	-150.19394764961797	-150.46102582413326	-150.6727541803721	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-150.19394764961797	-135.58195390545336	-741.3400054724179	-132.9245040262781	-150.73774381039325	-150.52601911140053	-150.2589455502049	-147.29725032858406	-135.58195390545336	-135.58195390545336	-747.7686997610788	-747.7686997610788	-125.13463142521084	-738.6077267786791		-0.7082147880703444	-0.7082147880703444	-738.6077267786791	0.001		-744.53
1598. sulfate 32: sulfate- -species	sulfate 32: sulfate- -species	sulfate- -species	HSO4 -	1651	1598	sulfate- -species	1699		0	1	0	4	0	1	0	-1		-6	-8	0	97.06		-	-755.91		-756.01	-755.9	-	-	-	-		-	-	-	-	-755.32	-755.91	-	-	-887.3	-887.34	-		-886.9	-	-	-	-		-887.34	-	-	-	-	-	-	-	-	131.8	-	-	-	-	0.001	-17.813239784115144	-755.91	-755.91	AZC	0				sulfate 32: sulfate- -species	-887.34	AZC	-119.09097898686221	-119.12907915040162	-119.12907915040161	-715.9530850591573	-715.9530850591573		-100	-715.9530850591573	-715.9530850591573	-0.8096889262641842	-733.8876509161231		7.986820569391128	22.13567977278056								-119.09097898686221	-119.09097898686221	-119.09097898686221	31.064883622431438	-750.6201794398793	13.263422429231323	19.19045262186669	25.12722011979892	31.06487745160061	37.00261590992338	42.94036176300423	48.87810829011093	-750.6201794398793	-709.0559532769439	-709.7963898721277	-709.7963898721277	-101.31583936628647	-119.12907915040162	-119.12907915040162	31.06487745160061	31.06487745160061	31.06487745160061	31.06487745160061	-755.91	-93.23054734752918	-119.12907915040162	-119.12907915040162	-715.9539474682475							1598. sulfate 32: sulfate- -species	-755.91	AZC	-733.0779759758533	-727.3699664733181	-721.6619569707829	-715.9539474682475	-0.8336611182772424	-710.2459379657123	-704.5379284631771	-698.8299189606417	-715.9539474682476	-710.2459379657123	-698.8299189606417	-704.5379284631771	-727.3699524873236	-721.6619429847884	-715.9539334822532	-710.2459239797179	-704.5379144771827	-715.9530850591573	-707.3314733079716	-709.0559681343641	-716.7636224085173	-707.3314582256166	-709.0559532769439	-716.7636224085173	-716.7636224085173	-87.56282276564127	-104.68685127324704	-104.5741704467207	-104.6009699821758	-104.663823321716	-716.7636224085173	-87.56282276564127	-104.68685127324704	-104.5741704467207	-104.6009699821758	-104.663823321716	-119.10120098195821	-119.12907915040162	-119.1012009819582	-119.12907915040161	-124.6545783252667	5.563599338404494	-36.000626824530876	-77.56485298746625	-119.12907915040162	-160.69330531333688	-202.25753147627225	-243.82175763920762	5.563599338404497	-36.00062682453087	-77.56485298746624	-119.12907915040161	-160.69330531333688	-202.25753147627225	-243.82175763920762	-74.34088899359409	-86.44386451677885	-98.54823736179887	-104.6009699821758	-110.65407857562654	-119.12907915040162	-122.7614592052364	-134.8704502976014	-146.98112289969495	-171.20779682096264	-195.44204934482596	-74.34088899359409	-86.44386451677883	-98.54823736179887	-104.6009699821758	-110.65407857562654	-119.12907915040161	-122.7614592052364	-134.8704502976014	-146.98112289969495	-171.20779682096264	-118.38864255521779	-119.03885613815092	-119.12907915040162	-119.1958486940305	-119.24878078309021	-118.38864255521777	-119.0388561381509	-119.12907915040161	-119.19584869403049	-119.2487807830902	-119.12907915040162	-119.12907915040162	-119.12907915040162	-119.12907915040162	-119.12907915040162	-119.12907915040161	-119.12907915040161	-119.12907915040161	-119.12907915040161	-119.12907915040161	-104.72634244580172	-709.9160766473962	-101.50057520125631	-119.31381498537145	-119.26088381062335	-119.19411542032437	-118.45369161491921	-104.72634244580172	-104.72634244580172	-721.6619429847884	-721.6619429847884	-93.31986514638527	-709.7963898721277		0	-0.1770536970175861	-709.9734435691454	0.001		-755.91
1599. sulfate 33: sulfuric acid (ai)	sulfate 33: sulfuric acid (ai)	sulfuric acid (ai)	H2SO4	1652	1599	sulfuric acid (ai)	1700		0	2	0	4	0	1	0	0		-6	-8	0	98.06		-	-744.53		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-909.27	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	20.1	-	-	-	-	0.001	-17.813239784115144	-744.53	-744.53	Z	0				sulfate 33: sulfuric acid (ai)	-909.27	Z	-64.06564877947247	-64.10374894301188	-64.10374894301187	-662.9967922657863	-662.9967922657863		-100	-662.9967922657863	-662.9967922657863	0	-681.7418954721121		-47.038509637998615	1.196888529127841E-8								-64.06564877947247	-64.06564877947247	-64.06564877947247	86.09021382982118	-737.8995119906087	50.47551285250582	62.34028963984631	74.21480373248366	86.09020765899035	97.96569271201813	109.84118515980398	121.7166782816158	-737.8995119906087	-654.771059664738	-654.771059664738	-654.771059664738	-46.290509158896725	-64.10374894301188	-64.10374894301188	86.09020765899035	86.09020765899035	86.09020765899035	86.09020765899035	-744.53	-40.27511696324859	-64.10374894301188	-64.10374894301188	-662.9985170839669							1599. sulfate 33: sulfuric acid (ai)	-744.53	Z	-697.2465740991785	-685.8305550941079	-674.4145360890375	-662.9985170839669	-0.9033698460424178	-651.5824980788964	-640.1664790738259	-628.7504600687554	-662.9985170839669	-651.5824980788964	-628.7504600687554	-640.1664790738259	-685.830555094108	-674.4145360890375	-662.9985170839669	-651.5824980788964	-640.1664790738259	-662.9967922657863	-650.5630673146109	-653.0508129238335	-664.6178669645063	-650.5630673146109	-653.0508129238335	-664.6178669645063	-664.6178669645063	-35.41706732163027	-52.54109582923604	-52.54109582923604	-52.56789536469114	-52.56789536469114	-664.6178669645063	-35.41706732163027	-52.54109582923604	-52.54109582923604	-52.56789536469114	-52.56789536469114	-64.07587077456847	-64.10374894301188	-64.07587077456846	-64.10374894301187	-106.84133854115146	42.775689761679	7.149210193448745	-28.477269374781507	-64.10374894301188	-99.73022851124213	-135.3567080794725	-170.98318764770275	42.775689761679004	7.149210193448749	-28.477269374781503	-64.10374894301187	-99.73022851124212	-135.3567080794725	-170.98318764770275	-28.534867076523422	-38.14807839179049	-47.761289707057784	-52.56789536469114	-57.374501022324736	-64.10374894301188	-66.98771233759203	-76.6009236528591	-86.21413496812616	-105.44055759866109	-124.66698022919505	-28.53486707652342	-38.148078391790484	-47.761289707057784	-52.56789536469114	-57.374501022324736	-64.10374894301187	-66.98771233759203	-76.6009236528591	-86.21413496812616	-105.44055759866109	-64.10374894301188	-64.10374894301188	-64.10374894301188	-64.10374894301188	-64.10374894301188	-64.10374894301187	-64.10374894301187	-64.10374894301187	-64.10374894301187	-64.10374894301187	-64.10374894301188	-64.10374894301188	-64.10374894301188	-64.10374894301188	-64.10374894301188	-64.10374894301187	-64.10374894301187	-64.10374894301187	-64.10374894301187	-64.10374894301187	-52.63042761408656	-654.771059664738	-46.35555821859816	-64.1687980027133	-64.1687980027133	-64.1687980027133	-64.1687980027133	-52.63042761408656	-52.63042761408656	-674.4145360890375	-674.4145360890375	-40.364448748098994	-655.8978254610706		0.3541073940351722	0	-656.2519328551058			-744.53


Note; 0.000 0.000 is usuall a spacer, sometimes an element.

&S2. The data sources for the standard chemical potentials and enthalpies of the Thermotable
Source reference	Source code	reference #
Alberty, R. A. 2006. Biochemical Thermodynamics: Applications of Mathematica (Wiley: Hoboken, NJ).	A
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Cox, J. D., D. D. Wagman, and M. V. Medvedev. 1989. CODATA Key Values for Thermodynamics (HemispherePublishing Corp.: New York).	C
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Ferguson, J.F. and Gavis, J. (1972) A Review of the Arsenic Cycle in Nature Waters. Water Research, 6, 1259-1274. page 1262. https://doi.org/10.1016/0043-1354(72)90052-8	F
Boerio-Goates, J., M. R. Francis, R. N. Goldberg, M.A.V. Ribeiro da Silva, M.D.M.C. Ribeiro da Silva, Y.B. Tewari. 2001. 'Thermochemistry of adenosine', The Journal of Chemical Thermodynamics 33, 929-947. https://doi.org/10.1006/jcht.2001.0820. Goldberg R. and Y. Tewari. 1989. 'Thermodynamic and Transport Properties of Carbohydrates and their Monophosphates: The Pentoses and Hexoses', Journal of Physical and Chemical Reference Data 18, 809-880. DOI: 10.1063/1.555831, pp. 872-874. Goldberg, R. N. 2009. 'Thermodynamics network calculations applied to biochemical substances and reactions.' in M.G. Hicks, Kettner, C. (ed.), PROCEEDINGS OF THE 4TH BEILSTEIN ESCEC SYMPOSIUM EXPERIMENTAL STANDARD CONDITIONS OF ENZYME CHARACTERIZATION (Beilstein-Institut).	G
Stull, D. and Prophet, H. (1971), JANAF thermochemical tables, second edition: National Institute of Standards and Technology, Gaithersburg, MD, [online], https://doi.org/10.6028/NBS.NSRDS.37 (Accessed July 24, 2025)	J
Miller, S.L., and D. Smith-Magowan. 1990. 'The Thermodynamics of the Krebs Cycle and Related Compounds', J. Phys. Chem. Ref. Data, 19: 1049-73.	M
Ould-Moulaye, C.B., C.G. Dussap, J.B. Gros. 2001. ‘A consistent set of formation properties of nucleic acid compounds.’ Thermochimica Acta, 375. 93-107. doi:10.1016/s0040-6031(01)00522-6 and Ould-Moulaye, C.B., C.G Dussap, J.B Gros. 2002. 'A consistent set of formation properties of nucleic acid compounds: Nucleosides, nucleotides and nucleotide-phosphates in aqueous solution', Thermochimica Acta 387, 1-15. https://doi.org/10.1016/S0040-6031(01)00814-0	O
Cox, J.D. and G. Pilcher. 1970. 'Thermochemistry of Organic and Organometallic Compounds'. Academic Press, London and New York 1970.	Pc
Pourbaix, M. 1974. Atlas of electrochemical equilibria in aqueous solutions. Atlas d'équilibres électrochemiques. 2nd English ed. Imprint Houston, Tex.: National Association of Corrosion Engineers, 1974. sections 12.1 and 18.3.	Pou
Pitzer, K.S. 1995. Thermodynamics (McGraw-Hill: New York).	Q
Thauer, R. K., K. Jungermann, and K. Decker. 1977. 'Energy conservation in chemotrophic anaerobic bacteria', Bacteriol Rev, 41: 100-80.	T
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