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

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WffBiochemdataexcel The data sources for the standa

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199. ammonia83: NH3 (g)	ammonia83: NH3 (g)	NH3 (g)	NH3	228	199	NH3 (g)	240				0	3	1	0	0	0	0	0		0	0	8	17.009999999999998		-3.96	-16.45	-16.568640000000002	-	-16.4	-	-16.49	-	-3.98	-16.65232	-	-	-16.40128	-	-16.407		-	-	-45.94	-45.94	-	-11.02	-46.10768	-45.94	-	-	-45.898480000000006	-	-	-	-	-	-	-	-	-	-	-	-	192.66	-	-	-	0.001	-17.813239784115144	-16.568640000000002	-16.568640000000002	W	0				ammonia83: NH3 (g)	-46.10768	W	91.49969181218711	91.49969181218711	91.49969181218711	105.73117160132045	105.73117160132045		-100	105.73117160132045	105.73117160132045	0	86.17553104563466											91.49969181218711	91.49969181218711		91.49969181218711	20.989621134695426		-15.379746892503775	-32.45502813609536	-14.641788351980203	3.17145143213493	20.984691216250084	38.79793100036524	56.611170784480365	74.42441056859555	-15.379746892503775	109.31293159630225	109.31293159630225	109.31293159630225	109.31293159630225	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	-241.44133588670485	20.984691216250084	-16.568640000000002	105.72858437404957	91.49969181218711	91.49969181218711	105.72858437404957							199. ammonia83: NH3 (g)	-16.568640000000002	W	54.356498851232246	71.48052735883802	88.6045558664438	105.72858437404957	-0.13457942945233323	122.85261288165536	139.97664138926115	157.10066989686692	105.72858437404953	122.8526128816553	157.10066989686692	139.9766413892611	71.48052735883797	88.60455586644375	105.72858437404953	122.8526128816553	139.9766413892611	105.73117160132045	113.43571039484547	111.89330170765913	103.29955955324043	113.43571039484547	111.89330170765913	103.29955955324043	103.29955955324043	103.29955955324043	86.17553104563466	86.17553104563466	86.17553104563466	86.17553104563466	103.29955955324043	103.29955955324043	86.17553104563466	86.17553104563466	86.17553104563466	86.17553104563466	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	53.43971935234544	38.05997245984167	55.87321224395682	73.68645202807195	91.49969181218711	109.31293159630226	127.12617138041739	144.93941116453257	38.059972459841674	55.87321224395683	73.68645202807197	91.49969181218711	109.31293159630226	127.1261713804174	144.93941116453257	75.08352944865035	79.52033008744407	83.9571307262378	86.17553104563466	88.3939313650315	91.49969181218711	92.8307320038252	97.26753264261897	101.70433328141266	110.57793455900008	119.45153583658754	75.08352944865035	79.52033008744408	83.9571307262378	86.17553104563466	88.3939313650315	91.49969181218711	92.8307320038252	97.26753264261897	101.70433328141266	110.57793455900008	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	86.17553104563466	109.31293159630225	109.31293159630225	91.49969181218711	91.49969181218711	91.49969181218711	91.49969181218711	86.17553104563466	86.17553104563466	88.60455586644375	88.60455586644375	105.72858437404953	107.62278290180346		0.5311610910527583	0	107.09162181075071													-16.568640000000002
200. ammonia84: NH3 (g)	ammonia84: NH3 (g)	NH3 (g)	NH3	229	200	NH3 (g)	241				0	3	1	0	0	0	0	0		0	0	8	17.009999999999998		-3.96	-16.45	-16.568640000000002	-	-16.4	-	-16.49	-	-3.98	-16.65232	-	-	-16.40128	-	-16.407		-	-	-45.94	-45.94	-	-11.02	-46.10768	-45.94	-	-	-45.898480000000006	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-16.49	-16.49	M0	0				ammonia84: NH3 (g)	-45.94	M	91.57474811270697	91.57474811270697		105.80981160132046				105.80981160132046		0												91.57474811270697	91.57474811270697		91.57474811270697	21.064677435215287		-15.304690591983897	-32.37997183557548	-14.566732051460328	3.2465077326548197	21.059747516769946	38.8729873008851	56.686227085000255	74.49946686911541	-15.304690591983897	109.38798789682212	109.38798789682212	109.38798789682212	109.38798789682212	91.57474811270697	91.57474811270697	91.57474811270697	91.57474811270697	-241.366279586185	21.059747516769946	-16.49	105.80722437404958	91.57474811270697	91.57474811270697	105.80722437404958							200. ammonia84: NH3 (g)	-16.49	M0	54.43513885123225	71.55916735883802	88.68319586644381	105.80722437404958	-0.13451327492561357	122.93125288165537	140.05528138926113	157.1793098968669	105.80722437404954	122.93125288165531	157.1793098968669	140.05528138926107	71.55916735883798	88.68319586644375	105.80722437404954	122.93125288165531	140.05528138926107	105.80981160132046	113.50987077049533	111.96835800817901	103.37819955324044	113.50987077049533	111.96835800817901		103.37819955324044	103.37819955324044	86.25417104563466	86.25417104563466	86.25417104563466	86.25417104563466							91.57474811270697	91.57474811270697			53.43971935234543	38.13502876036154	55.9482685444767	73.76150832859184	91.57474811270697	109.38798789682212	127.20122768093728	145.01446746505243								75.16963548923397	79.60344971179423	84.03726393435454	86.25417104563466	88.47107815691479	91.57474811270697	92.90489237947506	97.33870660203537	101.77252082459563	110.64014926971618	119.50777771483675											91.57474811270697	91.57474811270697	91.57474811270697	91.57474811270697	91.57474811270697						91.57474811270697	91.57474811270697	91.57474811270697	91.57474811270697	91.57474811270697						86.25417104563466	109.38798789682212	109.38798789682212	91.57474811270698	91.57474811270698	91.57474811270698	91.57474811270698	86.25417104563466	86.25417104563466	88.68319586644375	88.68319586644375	105.80722437404954
201. ammonia85: NH3 (g)	ammonia85: NH3 (g)	NH3 (g)	NH3	230	201	NH3 (g)	242				0	3	1	0	0	0	0	0		0	0	8	17.009999999999998		-3.96	-16.45	-16.568640000000002	-	-16.4	-	-16.49	-	-3.98	-16.65232	-	-	-16.40128	-	-16.407		-	-	-45.94	-45.94	-	-11.02	-46.10768	-45.94	-	-	-45.898480000000006	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-16.65232	-16.65232	B	0				ammonia85: NH3 (g)	-45.94	CM	91.40589502533484	91.40589502533484	91.40589502533486	105.64749160132045	105.64749160132045		-100	105.64749160132044	105.64749160132044	0	86.09185104563466											91.40589502533484	91.40589502533484		91.40589502533484	20.89582434784316		-15.473543679356029	-32.54882492294761	-14.735585138832455	3.077654645282692	20.890894429397818	38.70413421351297	56.51737399762813	74.33061378174328	-15.473543679356029	109.21913480945	109.21913480945	109.21913480945	109.21913480945	91.40589502533484	91.40589502533484	91.40589502533484	91.40589502533484	-241.53513267355711	20.890894429397818	-16.65232	105.64490437404957	91.40589502533484	91.40589502533484	105.64490437404957							201. ammonia85: NH3 (g)	-16.65232	B	54.272818851232245	71.39684735883802	88.5208758664438	105.64490437404957	-0.13478179031048823	122.76893288165536	139.89296138926113	157.0169898968669	105.64490437404953	122.7689328816553	157.0169898968669	139.89296138926107	71.39684735883797	88.52087586644375	105.64490437404953	122.7689328816553	139.89296138926107	105.64749160132045	113.33938441128015	111.79950492080688	103.21587955324043	113.33938441128015	111.79950492080688	103.21587955324043	103.21587955324043	103.21587955324043	86.09185104563466	86.09185104563466	86.09185104563466	86.09185104563466	103.21587955324043	103.21587955324043	86.09185104563466	86.09185104563466	86.09185104563466	86.09185104563466	91.40589502533484	91.40589502533484	91.40589502533486	91.40589502533486	53.43971935234543	37.966175672989415	55.77941545710457	73.59265524121972	91.40589502533484	109.21913480945	127.03237459356515	144.8456143776803	37.96617567298942	55.77941545710458	73.59265524121972	91.40589502533486	109.21913480945001	127.03237459356517	144.8456143776803	75.02092608792589	79.44929607100939	83.87766605409291	86.09185104563466	88.3060360371764	91.40589502533484	92.73440602025988	97.16277600334344	101.59114598642691	110.44788595259394	119.30462591876096	75.02092608792589	79.4492960710094	83.87766605409291	86.09185104563466	88.3060360371764	91.40589502533486	92.73440602025988	97.16277600334344	101.59114598642691	110.44788595259394	91.40589502533484	91.40589502533484	91.40589502533484	91.40589502533484	91.40589502533484	91.40589502533486	91.40589502533486	91.40589502533486	91.40589502533486	91.40589502533486	91.40589502533484	91.40589502533484	91.40589502533484	91.40589502533484	91.40589502533484	91.40589502533486	91.40589502533486	91.40589502533486	91.40589502533486	91.40589502533486	86.09185104563466	109.21913480945	109.21913480945	91.40589502533486	91.40589502533486	91.40589502533486	91.40589502533486	86.09185104563466	86.09185104563466	88.52087586644375	88.52087586644375	105.64490437404953																					0
202. ammonia86	ammonia86			231	202																		0																																																		0				ammonia86																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												202. ammonia86																																											0
203. ammonia91: ammonium hydroxide (aq)	ammonia91: ammonium hydroxide (aq)	ammonium hydroxide (aq)	NH5O	232	203	ammonium hydroxide (aq)	244				0	5	1	1	0	0	0	0		0	0	8	35.01	-	-63.04	-263.65	-263.75936	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-366.121	-87.505	-366.12092	-	-	-	-	-		-	-	-	-	-	-	-	-	-	126.56	-	-	-	-	0.001	-17.813239784115144	-263.75936	-263.75936	W	0				ammonia91: ammonium hydroxide (aq)	-366.121	W	82.49806517199698	82.48854013111213	82.48854013111215	-59.926340664465926	-59.926340664465926		-100	-59.92634066446591	-59.92634066446591	0	-81.10305591887175											82.49806517199698	82.49806517199698		82.49806517199698	11.987994494505301		-259.63948852590977	-41.46617981717032	-23.652940033055167	-5.839700248940019	11.973539535175107	29.78677931929029	47.600019103405415	65.41325888752057	-259.63948852590977	-51.818357711233034	-51.818357711233034	-51.818357711233034	100.30177991522729	82.48854013111213	82.48854013111213	82.48854013111213	82.48854013111213	-250.45248756777983	11.973539535175107	-263.75936	95.7501973202622	82.48854013111213	82.48854013111213	-59.93065270991738		-				-	203. ammonia91: ammonium hydroxide (aq)	-263.75936	Z	-145.55079524794627	-117.01074773526997	-88.47070022259368	-59.93065270991738	-2.376558763197737	-31.390605197241086	-2.8505576845647624	25.689489828111505	-59.93065270991747	-31.39060519724117	25.689489828111505	-2.850557684564876	-117.01074773527006	-88.47070022259376	-59.93065270991747	-31.39060519724117	-2.850557684564876	-59.926340664465926	-44.41246397326191	-47.517740858971564	-63.979027411265974	-44.41246397326191	-47.517740858971564	-63.979027411265974	-63.979027411265974	93.32117249945304	76.19714399184727	76.19714399184727	76.1904441079835	76.1904441079835	-63.979027411265974	93.32117249945304	76.19714399184727	76.19714399184727	76.1904441079835	76.1904441079835	82.49550967322298	82.48854013111213	82.495509673223	82.48854013111215	53.44924439323028	29.048820778766704	46.86206056288186	64.675300346997	82.48854013111213	100.30177991522731	118.11501969934244	135.9282594834576	29.048820778766707	46.862060562881865	64.67530034699702	82.48854013111215	100.30177991522733	118.11501969934245	135.9282594834576	63.06941072646549	68.31782407907268	73.56623743167992	76.1904441079835	78.81465078428702	82.48854013111213	84.06306413689427	89.31147748950154	94.55989084210867	105.05671754732305	115.55354425253748	63.0694107264655	68.3178240790727	73.56623743167992	76.1904441079835	78.81465078428702	82.48854013111215	84.06306413689427	89.31147748950154	94.55989084210867	105.05671754732305	82.48854013111213	82.48854013111213	82.48854013111213	82.48854013111213	82.48854013111213	82.48854013111215	82.48854013111215	82.48854013111215	82.48854013111215	82.48854013111215	82.48854013111213	82.48854013111213	82.48854013111213	82.48854013111213	82.48854013111213	82.48854013111215	82.48854013111215	82.48854013111215	82.48854013111215	82.48854013111215	76.17481104563464	-51.818357711233034	100.28551765030193	82.47227786618679	82.47227786618679	82.47227786618679	82.47227786618679	76.17481104563464	76.17481104563464	-88.47070022259376	-88.47070022259376	95.72786437404952	-54.63527220206434		0.8852684850879307	0	-55.52054068715228													-263.75936
204. ammonia92: ammonium hydroxide (aq)	ammonia92: ammonium hydroxide (aq)	ammonium hydroxide (aq)	NH5O	233	204	ammonium hydroxide (aq)	245				0	5	1	1	0	0	0	0		0	0	8	35.01	-	-63.04	-263.65	-263.75936	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-366.121	-87.505	-366.12092	-	-	-	-	-		-	-	-	-	-	-	-	-	-	126.56	-	-	-	-	0.001	-17.813239784115144	-263.75936	-263.75936	W	0				ammonia92: ammonium hydroxide (aq)	-366.12092	W	82.4980619521412	82.48853691125635	82.48853691125636	-59.926340664465926	-59.926340664465926		-100	-59.92634066446591	-59.92634066446591	0	-81.10305591887175											82.4980619521412	82.4980619521412		82.4980619521412	11.987991274649517		-259.63949174576555	-41.466183037026106	-23.65294325291095	-5.839703468795804	11.973536315319322	29.786776099434505	47.60001588354963	65.41325566766479	-259.63949174576555	-51.81836093108882	-51.81836093108882	-51.81836093108882	100.3017766953715	82.48853691125635	82.48853691125635	82.48853691125635	82.48853691125635	-250.4524907876356	11.973536315319322	-263.75936	95.7501973202622	82.48853691125635	82.48853691125635	-59.93065270991738		-				-	204. ammonia92: ammonium hydroxide (aq)	-263.75936	W	-145.55079524794627	-117.01074773526997	-88.47070022259368	-59.93065270991738	-2.376558709471378	-31.390605197241086	-2.8505576845647624	25.689489828111505	-59.93065270991747	-31.39060519724117	25.689489828111505	-2.850557684564876	-117.01074773527006	-88.47070022259376	-59.93065270991747	-31.39060519724117	-2.850557684564876	-59.926340664465926	-44.41246799808161	-47.51774407882735	-63.979027411265974	-44.41246799808161	-47.51774407882735	-63.979027411265974	-63.979027411265974	93.32117249945304	76.19714399184727	76.19714399184727	76.1904441079835	76.1904441079835	-63.979027411265974	93.32117249945304	76.19714399184727	76.19714399184727	76.1904441079835	76.1904441079835	82.4955064533672	82.48853691125635	82.49550645336721	82.48853691125636	53.44924439323028	29.04881755891092	46.86205734302607	64.67529712714122	82.48853691125635	100.30177669537153	118.11501647948666	135.9282562636018	29.048817558910923	46.86205734302608	64.67529712714123	82.48853691125636	100.30177669537154	118.11501647948667	135.9282562636018	63.06941743449835	68.31782810389238	73.56623877328647	76.1904441079835	78.81464944268048	82.48853691125635	84.06306011207457	89.31147078146869	94.55988145086266	105.05670278965073	115.55352412843885	63.069417434498355	68.3178281038924	73.56623877328647	76.1904441079835	78.81464944268048	82.48853691125636	84.06306011207457	89.31147078146869	94.55988145086266	105.05670278965073	82.48853691125635	82.48853691125635	82.48853691125635	82.48853691125635	82.48853691125635	82.48853691125636	82.48853691125636	82.48853691125636	82.48853691125636	82.48853691125636	82.48853691125635	82.48853691125635	82.48853691125635	82.48853691125635	82.48853691125635	82.48853691125636	82.48853691125636	82.48853691125636	82.48853691125636	82.48853691125636	76.17481104563464	-51.81836093108882	100.28551443044614	82.472274646331	82.472274646331	82.472274646331	82.472274646331	76.17481104563464	76.17481104563464	-88.47070022259376	-88.47070022259376	95.72786437404952	-54.63527542192013		0.8852684850879307	0	-55.52054390700806													-263.75936
205. AMMONIUM CYANIDE	AMMONIUM CYANIDE			234	205		246																0																																																		0				AMMONIUM CYANIDE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												205. AMMONIUM CYANIDE																																											0
206. ammonium cyanide (aI)	ammonium cyanide (aI)	ammonium cyanide (aI)	NH4CN	235	206	ammonium cyanide (aI)	247				1	4	2	0	0	0	0	0		-2	2	18	44.03		£	93		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	18	£		-	-	-	-	-		32.2	-	-	-	-	-	-	-	-	207.5	-	-	-	-	0.001	-17.813239784115144	93	93	Z	0				ammonium cyanide (aI)	18	Z	244.4622796588387	244.4622796588387	244.4622796588387	256.0664154684273	256.0664154684273		-100	256.0664154684273	256.0664154684273	0	235.70023756338145											244.4622796588387	244.4622796588387		244.4622796588387	206.9521406959296		96.01861479121249	59.29397371935879	106.92226568437768	155.50279726336186	206.93153384662207	260.0970085543367	313.7795154625438	369.1030694084058	96.01861479121249	262.27551944295385	262.27551944295385	262.27551944295385	262.27551944295385	244.4622796588387	244.4622796588387	244.4622796588387	347.96153503849615	-317.92052035928776	206.93153384662207	93	256.0629658320661	244.4622796588387	244.4622796588387	256.0629658320661							206. ammonium cyanide (aI)	93	Z	187.566851801643	210.39888981178404	233.23092782192506	256.0629658320661	-0.04530403737038441	278.8950038422072	301.7270418523482	324.5590798624892	256.062965832066	278.8950038422071	324.5590798624892	301.72704185234807	210.398889811784	233.230927821925	256.062965832066	278.8950038422071	301.72704185234807	256.0664154684273	268.13091383631587	265.71601292476305	252.82426607098722	268.13091383631587	265.71601292476305	252.82426607098722	252.82426607098722	252.82426607098722	235.70023756338145	235.70023756338145	235.70023756338145	235.70023756338145	252.82426607098722	252.82426607098722	235.70023756338145	235.70023756338145	235.70023756338145	235.70023756338145	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	71.25295913646056	173.20932052237814	196.96030690119832	220.7112932800185	244.4622796588387	268.21326603765897	291.9642524164791	315.71523879529934	173.20932052237814	196.96030690119832	220.7112932800185	244.4622796588387	268.21326603765897	291.9642524164791	315.71523879529934	217.44598319784558	224.74768494405993	232.04938669027428	235.70023756338145	239.35108843648865	244.4622796588387	246.65279018270303	253.95449192891743	261.2561936751317	275.85959716756054	290.46300065998923	217.44598319784558	224.74768494405993	232.04938669027428	235.70023756338145	239.35108843648865	244.4622796588387	246.65279018270303	253.95449192891743	261.2561936751318	275.85959716756054	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	235.70023756338145	262.27551944295385	262.27551944295385	244.4622796588387	244.4622796588387	244.4622796588387	244.4622796588387	235.70023756338145	235.70023756338145	233.230927821925	233.230927821925	256.062965832066	260.02198785028884		0.7082147880703444	0	259.3137730622185													93
207. AMP	AMP			236	207																		0																																																		0				AMP																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												207. AMP																																											0
208. AMP11: AMP2- -species	AMP11: AMP2- -species	AMP2- -species	C10H12N5O7P2-	237	208	AMP2- -species	249				10	12	5	7	1	0	0	-2		-10	30	70	345.12		£	-		-	-	-1029.6	-	-	-		-	-	-	-1040.45	-		-1040.45	-	-	-	-	£		-	-1635.37	-1628	-	-		-1635.37	-	-	-	-	-	-	-	-	-	-	214.5	-	-	0.001	-17.813239784115144	-1040.45	-1040.45	AG	0				AMP11: AMP2- -species	-1635.37	AG	526.3978239496314	526.3311486634375	526.3311486634375	-554.4895092997749	-554.4895092997749		-100	-554.4895092997749	-554.4895092997749	-3.238755705056737	-581.3399859997008	535.2549001276358	8.857076178004377	31.021024881699514	38.66888478734076		533.9778880217982	7.580064072166806	21.279909225380727	30.927855564745567		526.3978239496314	526.3978239496314		526.3978239496314	1669.0757166073795		-1016.5055425121584	831.2442684161788	1093.796958298462	1366.1377000148868	1668.6522526481094	1991.388609186315	2320.263432219111	2665.6657307344617	-1016.5055425121584	-517.7348285569343	-520.6965749376697	-520.6965749376697	544.1443884475526	526.3311486634375	986.2347018312201	986.2347018312201	2021.2272556277944	356.52211713333475	1668.6522526481094	-1040.45	535.2660920023986	526.3311486634375	982.3471641883939	-554.4998582088585						-549.5	208. AMP11: AMP2- -species	-1040.45	AG	-759.9882003001278	-691.4920862697047	-622.9959722392816	-554.4998582088585	-1.949320033462223	-486.00374417843534	-417.50763014801225	-349.01151611758917	-554.4998582088587	-486.00374417843557	-349.01151611758917	-417.5076301480125	-691.492030325727	-622.9959162953039	-554.4998022648807	-486.0036882344576	-417.50757420403454	-554.4895092997749	-499.93913347808723	-510.85390102299624	-564.2159574920951	-499.93907314866755	-510.85384159331596	-564.2159574920951	-564.2159574920951	536.8854418829379	519.7614133753322	520.2121366814379	520.1652374943915	519.9138241362307	-564.2159574920951	536.8854418829379	519.7614133753322	520.2121366814379	520.1652374943915	519.9138241362307	526.3799354582134	526.3311486634375	526.3799354582134	526.3311486634375	-35.559804282036566	561.957628231668	550.0821350422578	538.2066418528476	526.3311486634375	514.4556554740276	502.58016228461736	490.7046690952073	561.957628231668	550.0821350422578	538.2066418528476	526.3311486634375	514.4556554740276	502.58016228461736	490.7046690952073	507.2923367779916	512.4457245535426	517.5935230417545	520.1652374943915	522.7354480547335	526.3311486634375	527.871215404585	533.000540903416	538.1231403633325	548.347024414845	558.540594055973	507.2923367779916	512.4457245535426	517.5935230417545	520.1652374943915	522.7354480547335	526.3311486634375	527.871215404585	533.000540903416	538.1231403633325	548.347024414845	529.2928950441728	526.6920407124403	526.3311486634375	526.0640704889222	525.8523421326834	529.2928950441728	526.6920407124403	526.3311486634375	526.0640704889222	525.8523421326834	526.3311486634375	526.3311486634375	526.3311486634375	526.3311486634375	526.3311486634375	526.3311486634375	526.3311486634375	526.3311486634375	526.3311486634375	526.3311486634375	519.8044452010275	-521.1753220387435	543.5518054920013	525.7385657078862	525.9502904068789	526.2173639680746	529.1790591896954	968.4699217638786	519.8044452010275	-618.2653291757802	-618.2653291757802	544.1214115693134	-525.2036381229998		1.4164295761406889	-0.7082147880703444	-527.3282824872108	-518.2245049388829	16.69902959182273	26.358001876145114	-526.3350869030323	-525.2036381229998	-518.060440560634	17.841611147761913			-525.2036381229998	0.001		-1040.45
209. AMP12: HAMP- -species	AMP12: HAMP- -species	HAMP- -species	C10H13N5O7P-	238	209	HAMP- -species	250				10	13	5	7	1	0	0	-1		-10	30	70	346.12		£	-		-	-	-1069.5	-	-	-		-	-	-	-1078.86	-		-1078.86	-	-	-	-	£		-	-1629.97	-1623.6	-	-		-1629.97	-	-	-	-	-	-	-	-	-	-	361.4	-	-	0.001	-17.813239784115144	-1078.86	-1078.86	AG	-208.7816	-49.9	-870.0783999999999		AMP12: HAMP- -species	-1629.97	AG	530.0100863780782	529.9434110918843	529.9434110918843	-549.7038386538753	-549.7038386538753		-100	-549.7038386538754	-549.7038386538754	-0.8096889262641842	-577.3648527031613		5.244813749557579	7.643642518297655				3.9678016437200085	4.955971193040831			530.0100863780782	530.0100863780782		530.0100863780782	1672.6879790358262		-1056.6788160321985	817.0432910605102	1085.5337275374986	1363.8122158486287	1672.264515076556	2000.9386182094668	2335.751187836968	2687.091232947024	-1056.6788160321985	-516.343875914039	-517.0843125092229	-517.0843125092229	547.7566508759994	529.9434110918843	989.846964259667	989.846964259667	2024.8395180562413	360.13437956178154	1672.264515076556	-1078.86	540.050900239208	529.9434110918843	985.9594266168406	-549.7150499720492							209. AMP12: HAMP- -species	-1078.86	AG	-772.3274205709243	-698.1232970379659	-623.9191735050075	-549.7150499720492	-1.964154222092022	-475.51092643909084	-401.3068029061324	-327.1026793731741	-549.7150499720494	-475.51092643909107	-327.1026793731741	-401.30680290613276	-698.1232830519717	-623.9191595190133	-549.715035986055	-475.5109124530966	-401.3067889201383	-549.7038386538753	-495.09433300646987	-506.02241032603155	-560.2408241955555	-495.09431792411493	-506.0223954686115	-560.2408241955555	-560.2408241955555	540.8605751794775	523.7365466718717	523.849227498398	523.8023283113516	523.7394749718114	-560.2408241955555	540.8605751794775	523.7365466718717	523.849227498398	523.8023283113516	523.7394749718114	529.9921978866602	529.9434110918843	529.9921978866602	529.9434110918843	-17.746564497921327	547.7566508759995	541.8189042812945	535.8811576865894	529.9434110918843	524.0056644971794	518.0679179024742	512.1301713077692	547.7566508759995	541.8189042812945	535.8811576865894	529.9434110918843	524.0056644971794	518.0679179024742	512.1301713077692	511.0015927400198	516.1229438408004	521.2428976197458	523.8023283113516	526.3613830298837	529.9434110918843	531.478329024239	536.5936645558396	541.7073185777112	551.9292979043742	562.143698628442	511.0015927400198	516.1229438408004	521.2428976197458	523.8023283113516	526.3613830298837	529.9434110918843	531.478329024239	536.5936645558396	541.7073185777112	551.9292979043742	530.6838476870681	530.033634104135	529.9434110918843	529.8766415482554	529.8237094591957	530.6838476870681	530.033634104135	529.9434110918843	529.8766415482554	529.8237094591957	529.9434110918843	529.9434110918843	529.9434110918843	529.9434110918843	529.9434110918843	529.9434110918843	529.9434110918843	529.9434110918843	529.9434110918843	529.9434110918843	523.6300566606793	-517.2039992844913	547.5231282462536	529.7098884621385	529.7628196368865	529.8295880271855	530.5700118325907	972.2955332235304	523.6300566606793	-618.2653291757802	-618.2653291757802	544.1214115693134	-523.844907287218		2.1246443642110333	-0.1770536970175861	-526.1466053484467	-518.2245049388829	9.652768497369776	26.358001876145114	-526.3350869030323	-523.844907287218	-518.060440560634	10.313230543274901			-523.844907287218	0.001		-1078.86
210. AMP13: H2amp -species	AMP13: H2amp -species	H2amp -species	C10H14N5O7P	239	210	H2amp -species	251				10	14	5	7	1	0	0	0		-10	30	70	347.12		£	-		-	-	-1109.5	-	-	-		-	-	-	-1101.63	-		-1101.63	-	-	-	-	£		-	-1648.07	-1641.9	-	-		-1648.07	-	-	-	-	-	-	-	-	-	-	377.1	-	-	0.001	-17.813239784115144	-1101.63	-1101.63	AG	-208.7816	-49.9	-892.8484000000001	-892.8484000000001	AMP13: H2amp -species	-1648.07	AG	549.3567900551977	549.2901147690038	549.2901147690038	-530.8975458605047	-530.8975458605047		-100	-530.8975458605047	-530.8975458605047	0	-559.3690972591506		-14.101889927561956	0.004217387343588132				-15.378902033399527	0.002021775506333049			549.3567900551977	549.3567900551977		549.3567900551977	1692.0346827129458		-1079.6367751131982	818.5767549535146	1093.004938025208	1377.2211729310434	1691.6112187536758	2026.2230684812916	2366.9733847034977	2724.2511764082583	-1079.6367751131982	-497.7376088321033	-497.7376088321033	-497.7376088321033	567.103354553119	549.2901147690038	1009.1936679367865	1009.1936679367865	2044.186221733361	379.4810832389011	1691.6112187536758	-1101.63	558.8563306234884	549.2901147690038	1005.3061302939602	-530.9096195877688							210. AMP13: H2amp -species	-1101.63	AG	-770.6460186942496	-690.733885658756	-610.8217526232625	-530.9096195877688	-2.0347463481293717	-450.9974865522752	-371.08535351678154	-291.1732204812879	-530.909619587769	-450.9974865522754	-291.1732204812879	-371.08535351678177	-690.7338856587562	-610.8217526232627	-530.909619587769	-450.9974865522754	-371.08535351678177	-530.8975458605047	-474.38671017594675	-485.6958816457711	-542.2450687515449	-474.38671017594675	-485.6958816457711	-542.2450687515449	-542.2450687515449	558.8563306234881	541.7323021158824	541.7323021158824	541.685402928836	541.685402928836	-542.2450687515449	558.8563306234881	541.7323021158824	541.7323021158824	541.685402928836	541.685402928836	549.3389015637797	549.2901147690038	549.3389015637797	549.2901147690038	0.06667528619379937	549.2901147690039	549.2901147690039	549.2901147690039	549.2901147690038	549.290114769004	549.2901147690039	549.2901147690039	549.2901147690039	549.2901147690039	549.2901147690039	549.2901147690038	549.290114769004	549.2901147690039	549.2901147690039	525.8422532618198	532.1795131286265	538.5167729954326	541.685402928836	544.8540328622394	549.2901147690038	551.1912927290458	557.5285525958523	563.8658124626589	576.5403321962715	589.2148519298848	525.8422532618198	532.1795131286265	538.5167729954326	541.685402928836	544.8540328622394	549.2901147690038	551.1912927290458	557.5285525958523	563.8658124626589	576.5403321962715	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	549.2901147690038	541.5759714923942	-497.7376088321033	566.9895186986415	549.1762789145264	549.1762789145264	549.1762789145264	549.1762789145264	990.2414480552452	541.5759714923942	-618.2653291757802	-618.2653291757802	544.1214115693134	-505.6249694064309		2.4787517582462053	0	-508.10372116467715	-518.2245049388829	0.006203786952608365	26.358001876145114	-526.3350869030323	-505.6249694064309	-518.060440560634	0.006628262668999542			-505.6249694064309	0.001		-1101.63
211. AMP14: MgAMP	AMP14: MgAMP	MgAMP	C10H12N5O7PMg	240	211	MgAMP	252				10	12	5	7	1	0	1	0		-12	28	70	369.43		£	-		-	-	-1501.3	-	-	-		-	-	-	-1511.77	-		-1511.68	-	-	-	-	£		-	-2091.07	-2085	-	-		-2091.07	-	-	-	-	-	-	-	-	-	-	168.8	-	-	0.001	-17.813239784115144	-1511.68	-1511.68	AG	0				AMP14: MgAMP	-2091.07	AG	530.1468517042857	530.0801764180918	530.0801764180918	-1003.1202836991749	-546.820283699175		-100	-556.820283699175	-546.820283699175	0	-576.9072017870384							3.831036317512485	4.689953370817676			530.1468517042857	530.1468517042857		530.1468517042857	1672.8247443620337		-1488.3605970149254	834.993296170833	1097.5459860531164	1369.8867277695413	1672.4012804027639	1995.1376369409695	2324.0124599737655	2669.414758489116	-1488.3605970149254	-989.5898830597013	-989.5898830597013	-516.9475471830153	547.8934162022069	530.0801764180918	989.9837295858745	989.9837295858745	2024.9762833824489	360.27114488798907	1672.4012804027639	-1511.68	542.9375759761399	530.0801764180918	986.0961919430481	-546.8283742351173							211. AMP14: MgAMP	-1511.68	AG	-752.3167163263865	-683.8206022959635	-615.3244882655404	-546.8283742351173	-1.9694940436217032	-478.3322602046941	-409.836146174271	-341.3400321438479	-546.8283742351174	-478.3322602046943	-341.3400321438479	-409.8361461742712	-683.8206022959637	-615.3244882655406	-546.8283742351174	-478.3322602046943	-409.8361461742712	-546.820283699175	-492.26831645742965	-503.16694487020044	-556.5467318914951	-492.26831645742965	-503.18557325577865	-556.5467318914951	-559.7831732794326	541.3182260956004	524.1941975879946	524.1941975879946	524.1472984009482	524.1472984009482	-559.7831732794326	541.3182260956004	524.1941975879946	524.1941975879946	524.1472984009482	524.1472984009482	530.1289632128677	530.0801764180918	530.1289632128677	530.0801764180918	-35.559804282036566	565.7066559863223	553.8311627969122	541.9556696075019	530.0801764180918	518.2046832286819	506.3291900392717	494.4536968498617	565.7066559863223	553.8311627969122	541.9556696075019	530.0801764180918	518.2046832286819	506.3291900392717	494.4536968498617	511.78713586523196	516.7312008795186	521.675265893805	524.1472984009482	526.6193309080913	530.0801764180918	531.5633959223777	536.5074609366642	541.4515259509508	551.3396559795231	561.2277860080961	511.78713586523196	516.7312008795186	521.675265893805	524.1472984009482	526.6193309080913	530.0801764180918	531.5633959223777	536.5074609366642	541.4515259509508	551.3396559795231	530.0801764180918	530.0801764180918	530.0801764180918	530.0801764180918	530.0801764180918	530.0801764180918	530.0801764180918	530.0801764180918	530.0801764180918	530.0801764180918	512.2669366339767	524.1424298233868	530.0801764180918	536.0179230127968	541.9556696075019	512.2669366339767	524.1424298233868	530.0801764180918	536.0179230127968	541.9556696075019	524.0378669645064	-513.5070537012061	551.2200738295387	533.4068340454236	529.9663405636144	529.9663405636144	529.9663405636144	972.7033435273574	524.0378669645064	-618.2653291757802	-618.2653291757802	544.1214115693134	-517.5682474258875		2.8328591522813777	0	-520.4011065781689						-518.060440560634	0.8199200251698304			-517.5682474258875			-1511.68
212. AMP15: amp-blend (H+, AG)	AMP15: amp-blend (H+, AG)	amp-reactant (H+, AG)		241	212	amp-reactant (H+, AG)	253				10	?	5	7	1	0	0	?							£	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	£		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	AG	0				AMP15: amp-reactant (H+, AG)	-	AG						-554.83															526.1942247615831		526.1942247615831		526.1942247615831	1668.872117419331		-1079.6370107200862	815.9697779500846	1085.3320070912491	1362.9854742450011	1668.1330558836632	1991.3365345285483	2320.2586402583484	2665.6652935695984	-1079.6370107200862	-518.8544346094886	-521.2157717021158	-521.2157717021158	543.6251916831064	525.8119518989913	985.715505066774	985.715505066774	2020.7080588633485	356.00292036888857	1668.1330558836632	-1101.6302541648008	534.9300028414884	525.8119518989913	981.8279674239477	-554.8359473697687	1.0000107192649437	-548.5	0.002399141936582614	2.5558923749416502	2.5534932330050677		212. AMP15: amp-reactant (H+, AG)	-	AG	-773.3562109853211	-698.4034729877549	-625.2260226965319	-554.8359473697687	-1.9483780336440646	-486.0394629338647	-417.5112251085213	-349.0118758466899	-554.835947369769	-486.0394629338649	-349.0118758466899	-417.5112251085215	-698.4034570534984	-625.2259916867192	-554.8358967464959	-486.03940759013096	-417.51116922534715	-554.825489078786	-500.26761260854715	-511.18404792700505	-564.6706552063688	-500.2675578949182	-511.1839940556936	-564.6706552063688	-564.6706552063688	536.4307441686642	519.3067156610584	519.697460076823	519.6505608897766	519.4334321684552	-564.6706552063688	536.4307441686642	519.3067156610584	519.697460076823	519.6505608897766	519.4334321684552	525.8607386937672	525.8119518989913	525.8607386937672	525.8119518989913	-20.488913003990774	546.6831377655739	541.6171838350449	535.0544160829619	525.8119518989913	514.403580816261	502.5753703238545	490.70423193034367	546.6831377655739	541.6171838350449	535.0544160829619	525.8119518989913	514.403580816261	502.5753703238545	490.70423193034367	506.7902255950047	511.93815449672155	517.0810499316615	519.6505608897766	522.218750907847	525.8119518989913	527.3510711667394	532.4778072087869	537.5987430565752	547.8223028145621	558.0198473042514	506.7902255950047	511.93815449672155	517.0810499316615	519.6505608897766	522.218750907847	525.8119518989913	527.3510711667394	532.4778072087869	537.5987430565752	547.8223028145621	528.1732889916185	526.1193737347245	525.8119518989913	525.581509845027	525.397143761914	528.1732889916185	526.1193737347245	525.8119518989913	525.581509845027	525.397143761914	525.8119518989913	525.8119518989913	525.8119518989913	525.8119518989913	525.8119518989913	525.8119518989913	525.8119518989913	525.8119518989913	525.8119518989913	525.8119518989913	519.3240462947927	-521.6305278876285	543.0965996431163	525.2833598590012	525.4677223628555	525.6981599522122	528.0594531371411	967.9895228576438	519.3240462947927	-625.2259916867192	-625.2259916867192	517.6496943336673																0.001		-
213. AMP16: amp-omniblend (H+Mg, AG)	AMP16: amp-omniblend (H+Mg, AG)	amp-omnireactant (H+Mg, AG)		242	213	amp-omnireactant (H+Mg, AG)	254				10	?	5	7	1	0	?	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	AG	0				AMP16: amp-omnireactant (H+Mg, AG)	-	AG																					525.4709571527585		525.4709571527585		525.4709571527585	1668.1488498105066		-1488.3605970149254	815.96862611077	1085.314105016549	1362.8368340336415	1667.7253858512365	1990.8521160851687	2319.765762822243	2665.1716303709163	-1488.3605970149254	-989.5898830597013	-989.5898830597013	-521.6234417345426	543.2175216506797	525.4042818665646	985.3078350343472	985.3078350343472	2020.3003888309217	355.59525033646185	1667.7253858512365	-1511.68	534.8338519742448	525.4042818665646	981.420297391521	-554.9320982370124		-548.5		2.594679197825409		-549.5	213. AMP16: amp-omnireactant (H+Mg, AG)	-	AG	-773.356721801049	-698.4103730978982	-625.2712734064023	-554.9320982370124	-1.9469103676326345	-486.1477326417063	-417.6208761903234	-349.12166700032503	-554.9320982370125	-486.1477326417065	-349.12166700032503	-417.6208761903236	-698.4103572079327	-625.271242957509	-554.9320495396827	-486.1476796631382	-417.62082272517017	-554.921730066879	-500.36407887360247	-511.27983690513935	-564.7624781147534	-500.3640262482304	-511.2804937356264	-564.7624781147534	-564.9938058201673	536.1075935548657	518.98356504726	519.3231159876846	519.2762168006382	519.088398687616	-564.9938058201673	536.1075935548657	518.98356504726	519.3231159876846	519.2762168006382	519.088398687616	525.4530686613405	525.4042818665646	525.4530686613405	525.4042818665646	-21.21102877350063	546.6819859262591	541.599281760345	534.905775871602	525.4042818665646	513.9191623728813	502.0824928877488	490.2105687316616	546.6819859262591	541.599281760345	534.905775871602	525.4042818665646	513.9191623728813	502.0824928877488	490.2105687316616	506.48019289652933	511.60326728760873	516.7201395997619	519.2762168006382	521.8307025488201	525.4042818665646	526.9348428913823	532.0324497904137	537.12341983087	547.2850880815779	557.4192409647865	506.48019289652933	511.60326728760873	516.7201395997619	519.2762168006382	521.8307025488201	525.4042818665646	526.9348428913823	532.0324497904137	537.12341983087	547.2850880815779	527.2294461929376	525.6625621411877	525.4042818665646	525.2074360423517	525.0480822405557	527.2294461929376	525.6625621411877	525.4042818665646	525.2074360423517	525.0480822405557	512.2564565045028	523.1209391129203	525.4042818665646	525.7718886558362	525.8082732381978	512.2564565045028	523.1209391129203	525.4042818665646	525.7718886558362	525.8082732381978	518.9790068938022	-521.7223671292409	543.004760401504	525.1915206173888	525.0936417848064	525.2904832614963	527.1156103384602	967.6444834566532	518.9790068938022	-625.271242957509	-625.271242957509	517.5535415404805										-526.3350869030323					-526.3350869030323			-
214. AMP17	AMP17			243	214																		0																																																		0				AMP17																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												214. AMP17																																											0
215. AMP2- -speciesAMP21:	AMP2- -speciesAMP21:	AMP2- -species	C10H12N5O7P2-	244	215	AMP2- -species	256				10	12	5	7	1	0	0	-2		-10	30	70	345.12		£	-		-	-	-1029.6	-	-	-		-	-	-	-1040.45	-		-1040.45	-	-	-	-	£		-	-1635.37	-1628	-	-		-1635.37	-	-	-	-	-	-	-	-	-	-	214.5	-	-	0.001	-17.813239784115144	-1029.6	-1029.6	O	0				AMP2- -speciesAMP21:	-1628	O	537.3878876759437	537.3212123897498		-543.6395092997748				-543.6395092997748		-3.238755705056737		539.266673843327	1.8787861673832822	2.072115706951254	3.5153480004246673		539.6250857410671	2.23719806512338	2.465699481153142	4.762309140589996		537.3878876759437	537.3878876759437		537.3878876759437	1680.0657803336917		-1005.515478785846	842.2343321424912	1104.7870220247746	1377.1277637411995	1679.6423163744216	2002.3786729126277	2331.2534959454238	2676.6557944607744	-1005.515478785846	-506.7447648306219	-509.7065112113573	-509.7065112113573	555.1344521738649	537.3212123897498	997.2247655575325	997.2247655575325	2032.2173193541068	367.51218085964706	1679.6423163744216	-1029.6	546.1160920023988	537.3212123897498	993.3372279147061	-543.6498582088584							215. AMP2- -speciesAMP21:	-1029.6	O	-749.1382003001277	-680.6420862697046	-612.1459722392815	-543.6498582088584	-1.9884816110252546	-475.1537441784352	-406.6576301480121	-338.16151611758903	-543.6498582088585	-475.15374417843543	-338.16151611758903	-406.65763014801234	-680.6420303257269	-612.1459162953038	-543.6498022648806	-475.1536882344575	-406.6575742040344	-543.6395092997748	-488.9140538201966	-499.8638372966838	-553.3659574920949	-488.91399349077693	-499.86377786700353		-553.3659574920949	547.7354418829381	530.6114133753323	531.062136681438	531.0152374943916	530.7638241362308							537.3699991845257	537.3212123897498			-35.55980428203668	572.9476919579804	561.0721987685703	549.19670557916	537.3212123897498	525.44571920034	513.5702260109298	501.6947328215198								517.8505373481745	523.1206448956526	528.3851631557911	531.0152374943916	533.6438079406971	537.3212123897498	538.8962950624757	544.1423403332336	549.3816595650768	559.8389831604431	570.2659923454249											540.2829587704853	537.6821044387527	537.3212123897498	537.0541342152345	536.8424058589958						537.3212123897498	537.3212123897498	537.3212123897498	537.3212123897498	537.3212123897498						530.6544452010277	-510.1852583124311	554.5418692183138	536.7286294341986	536.9403541331914	537.207427694387	540.1691229160078	979.3199217638787	530.6544452010277	-612.5853291757801	-612.5853291757801	549.8014115693135	-514.2135743966874		1.4164295761406889	-0.7082147880703444	-516.3382187608984	-514.2127312231918	1.0003401902078433	3.0037729484068154	-516.939259579166	-514.2135743966874					-514.2135743966874	0.001		-1029.6
216. AMP22: HAMP- -species	AMP22: HAMP- -species	HAMP- -species	C10H13N5O7P-	245	216	HAMP- -species	257				10	13	5	7	1	0	0	-1		-10	30	70	346.12		£	-		-	-	-1069.5	-	-	-		-	-	-	-1078.86	-		-1078.86	-	-	-	-	£		-	-1629.97	-1623.6	-	-		-1629.97	-	-	-	-	-	-	-	-	-	-	361.4	-	-	0.001	-17.813239784115144	-1069.5	-1069.5	O	0				AMP22: HAMP- -species	-1623.6	O	539.4904284877545	539.4237532015605		-540.3438386538754				-540.3438386538755		-0.8096889262641842			-0.22375464442745852	0.916888598493143				0.1346572533126391	1.0558225422278362			539.4904284877545	539.4904284877545		539.4904284877545	1682.1683211455024		-1047.1984739225222	826.5236331701865	1095.014069647175	1373.292557958305	1681.7448571862324	2010.418960319143	2345.231529946644	2696.5715750567	-1047.1984739225222	-506.86353380436276	-507.6039703995466	-507.6039703995466	557.2369929856757	539.4237532015605	999.3273063693432	999.3273063693432	2034.3198601659176	369.6147216714578	1681.7448571862324	-1069.5	549.4109002392079	539.4237532015605	995.4397687265168	-540.3550499720493							216. AMP22: HAMP- -species	-1069.5	O	-762.9674205709244	-688.763297037966	-614.5591735050076	-540.3550499720493	-1.998399901168057	-466.15092643909094	-391.9468029061325	-317.7426793731742	-540.3550499720495	-466.15092643909117	-317.7426793731742	-391.94680290613286	-688.7632830519718	-614.5591595190134	-540.3550359860551	-466.1509124530967	-391.9467889201384	-540.3438386538754	-485.5839053693746	-496.5420682163553	-550.8808241955556	-485.58389028701964	-496.5420533589352		-550.8808241955556	550.2205751794774	533.0965466718716	533.2092274983979	533.1623283113515	533.0994749718113							539.4725399963364	539.4237532015605			-17.746564497921327	557.2369929856758	551.2992463909708	545.3614997962657	539.4237532015605	533.4860066068557	527.5482600121504	521.6105134174454								520.1108800115275	525.3325162037049	530.5527550740475	533.1623283113515	535.7715255755818	539.4237532015605	540.9887566613343	546.2043772843318	551.4183163976005	561.8408659070574	572.2558368139187											540.1641897967444	539.5139762138112	539.4237532015605	539.3569836579317	539.3040515688721						539.4237532015605	539.4237532015605	539.4237532015605	539.4237532015605	539.4237532015605						532.9900566606792	-507.72365717481506	557.0034703559297	539.1902305718146	539.2431617465628	539.3099301368617	540.050353942267	981.6555332235303	532.9900566606792	-612.5853291757801	-612.5853291757801	549.8014115693135	-514.3645651775417		2.1246443642110333	-0.1770536970175861	-516.6662632387704	-514.2127312231918	1.0631637441702921	3.0037729484068154	-516.939259579166	-514.3645651775417					-514.3645651775417	0.001		-1069.5
217. AMP23: H2amp-species	AMP23: H2amp-species	H2amp-species	C10H14N5O7P	246	217	H2amp-species	258				10	14	5	7	1	0	0	0		-10	30	70	347.12		£	-		-	-	-1109.5	-	-	-		-	-	-	-1101.63	-		-1101.63	-	-	-	-	£		-	-1648.07	-1641.9	-	-		-1648.07	-	-	-	-	-	-	-	-	-	-	377.1	-	-	0.001	-17.813239784115144	-1109.5	-1109.5	O	0				AMP23: H2amp-species	-1641.9	O	540.9217053662828	540.8550300800889		-538.7675458605046				-538.7675458605046		0			-1.6550315229558237	0.5263436949802701				-1.296619625215726	0.5927097475814995			540.9217053662828	540.9217053662828		540.9217053662828	1683.599598024031		-1088.071859802113	810.1416702645997	1084.5698533362934	1368.7860882421282	1683.1761340647608	2017.7879837923765	2358.538300014583	2715.8160917193436	-1088.071859802113	-506.17269352101823	-506.17269352101823	-506.17269352101823	558.668269864204	540.8550300800889	1000.7585832478716	1000.7585832478716	2035.7511370444458	371.04599854998617	1683.1761340647608	-1109.5	550.9863306234885	540.8550300800889	996.8710456050453	-538.7796195877687							217. AMP23: H2amp-species	-1109.5	O	-778.5160186942495	-698.6038856587559	-618.6917526232623	-538.7796195877687	-2.0039758107037398	-458.86748655227507	-378.95535351678143	-299.0432204812878	-538.7796195877689	-458.8674865522753	-299.0432204812878	-378.95535351678166	-698.6038856587561	-618.6917526232626	-538.7796195877689	-458.8674865522753	-378.95535351678166	-538.7675458605046	-482.96306603709036	-494.13096633468604	-550.1150687515448	-482.96306603709036	-494.13096633468604		-550.1150687515448	550.9863306234882	533.8623021158825	533.8623021158825	533.8154029288361	533.8154029288361							540.9038168748648	540.8550300800889			0.06667528619379937	540.855030080089	540.855030080089	540.855030080089	540.8550300800889	540.8550300800891	540.855030080089	540.855030080089								519.1495130303925	525.0158689897703	530.8822249491473	533.8154029288361	536.7485809085249	540.8550300800889	542.6149368679022	548.4812928272797	554.347648786657	566.0803607054113	577.8130726241665											540.8550300800889	540.8550300800889	540.8550300800889	540.8550300800889	540.8550300800889						540.8550300800889	540.8550300800889	540.8550300800889	540.8550300800889	540.8550300800889						533.7059714923943	-506.17269352101823	558.5544340097266	540.7411942256115	540.7411942256115	540.7411942256115	540.7411942256115	982.3714480552453	533.7059714923943	-612.5853291757801	-612.5853291757801	549.8014115693135	-514.0600540953459		2.4787517582462053	0	-516.5388058535921	-514.2127312231918	0.9402690140286797	3.0037729484068154	-516.939259579166	-514.0600540953459					-514.0600540953459	0.001		-1109.5
218. AMP24: MgAMP	AMP24: MgAMP	MgAMP	C10H12N5O7PMg	247	218	MgAMP	259				10	12	5	7	1	0	1	0		-12	28	70	369.43		£	-		-	-	-1501.3	-	-	-		-	-	-	-1511.77	-		-1511.68	-	-	-	-	£		-	-2091.07	-2085	-	-		-2091.07	-	-	-	-	-	-	-	-	-	-	168.8	-	-	0.001	-17.813239784115144	-1501.3	-1501.3	O	0				AMP24: MgAMP	-2085	O	540.7003214342875	540.6336461480936		-992.7402836991748				-546.4402836991749		0								-1.0752356932204066	0.6480773696275179			540.7003214342875	540.7003214342875		540.7003214342875	1683.3782140920355		-1477.8071272849236	845.5467659008348	1108.0994557831182	1380.440197499543	1682.9547501327656	2005.6911066709713	2334.5659297037673	2679.968228219118	-1477.8071272849236	-979.0364133296995	-979.0364133296995	-506.39407745301355	558.4468859322087	540.6336461480936	1000.5371993158763	1000.5371993158763	2035.5297531124506	370.82461461799085	1682.9547501327656	-1501.3	553.31757597614	540.6336461480936	996.6496616730499	-536.4483742351172							218. AMP24: MgAMP	-1501.3	O	-741.9367163263864	-673.4406022959633	-604.9444882655403	-536.4483742351172	-2.007926106972051	-467.95226020469397	-399.4561461742709	-330.9600321438478	-536.4483742351173	-467.9522602046942	-330.9600321438478	-399.4561461742711	-673.4406022959636	-604.9444882655405	-536.4483742351173	-467.9522602046942	-399.4561461742711	-536.4402836991749	-481.67147929492756	-492.61347514019866	-546.166731891495	-481.67147929492756	-492.63210352577687		-549.4031732794325	551.6982260956005	534.5741975879947	534.5741975879947	534.5272984009483	534.5272984009483							540.6824329428695	540.6336461480936			-35.559804282036566	576.2601257163241	564.384632526914	552.5091393375037	540.6336461480936	528.7581529586837	516.8826597692735	505.00716657986345								521.8057405943954	526.8943637170166	531.9829868396376	534.5272984009483	537.0716099622589	540.6336461480936	542.1602330848798	547.248856207501	552.3374793301224	562.5147255753641	572.6919718206067											540.6336461480936	540.6336461480936	540.6336461480936	540.6336461480936	540.6336461480936						522.8204063639785	534.6958995533886	540.6336461480936	546.5713927427986	552.5091393375037						534.4178669645065	-502.95358397120435	561.7735435595405	543.9603037754254	540.5198102936162	540.5198102936162	540.5198102936162	983.0833435273576	534.4178669645065	-612.5853291757801	-612.5853291757801	549.8014115693135	-507.0147776958857		2.8328591522813777	0	-509.8476368481671										-507.0147776958857			-1501.3
219. AMP25: amp-blend(H+)	AMP25: amp-blend(H+)	amp-reactant(H+)		248	219	amp-reactant(H+)	260				10	?	5	7	1	0	0	?							£	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	£		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	O	0				AMP25: amp-reactant(H+)	-	O																					536.1502814602134		536.1502814602134		536.1502814602134	1678.8281741179615		-1088.071859973336	810.1383225582283	1084.5327330419045	1368.3404704262496	1678.3731483968372	2002.2789985229974	2331.2446515277097	2676.6549903991317	-1088.071859973336	-509.33492608067326	-510.9756791889419	-510.9756791889419	553.8652841962803	536.0520444121652	995.9555975799478	995.9555975799478	2030.9481513765222	366.24301288206243	1678.3731483968372	-1109.500000243541	545.2732952431011	536.0520444121652	992.0680599371215	-544.4926549681561		-549.5		-2.0199402297211457		549.3	219. AMP25: amp-reactant(H+)	-	O	-778.5207122155888	-698.651986883	-619.2649116595619	-544.4926549681561	-1.984678629855107	-475.2218955199942	-406.6642182537166	-338.16217258932227	-544.4926549681563	-475.2218955199944	-338.16217258932227	-406.66421825371685	-698.6519865848851	-619.264906397693	-544.4926125129886	-475.22184073289856	-406.6641624212954	-544.4819714985372	-489.66098966466654	-500.627629891358	-554.5868531622714	-489.6609421181387	-500.627583361694		-554.5868531622714	546.5145462127616	529.3905177051558	529.6837448371268	529.6368456500804	529.4751382672487							536.100831206941	536.0520444121652			-4.701400913504131	540.8516823737175	540.8179097857004	540.4094122642102	536.0520444121652	525.3460448107098	513.5613815932159	501.69392875987734								516.1397751575134	521.5619751758417	526.9525400120389	529.6368456500804	532.3143271620082	536.0520444121652	537.6503011957924	542.963351244703	548.2561590690208	558.7902930564386	569.2679084961197											537.6927975204339	536.2868374660891	536.0520444121652	535.8723468685695	535.7263908132156						536.0520444121652	536.0520444121652	536.0520444121652	536.0520444121652	536.0520444121652						529.36574109041	-511.30129139253063	553.4258361382142	535.6125963540991	535.7585490569895	535.938242499956	537.5789616659565	978.0312176532611	529.36574109041	-619.264906397693	-619.264906397693	527.9929785671748										-516.939259579166					-516.939259579166	0.001		-
220. AMP26: amp-omniblend(H+, Mg2+)	AMP26: amp-omniblend(H+, Mg2+)	amp-omnireactant(H+, Mg2+)		249	220	amp-omnireactant(H+, Mg2+)	261				10	?	5	7	1	0	?	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	O	0				AMP26: amp-omnireactant(H+, Mg2+)	-	O																					535.7560965318603		535.7560965318603		535.7560965318603	1678.4339891896084		-1477.8071272849236	810.13832100592	1084.5325487349778	1368.321727143684	1678.0105252303383	2001.720924707502	2330.667998147657	2676.076666138764	-1477.8071272849236	-979.0364133296995	-979.0364133296995	-511.3383023554407	553.5026610297815	535.6894212456664	995.592974413449	995.592974413449	2030.5855282100233	365.88038971556364	1678.0105252303383	-1501.3	545.1785309877718	535.6894212456664	991.7054367706228	-544.5874192234854		-548.5		-1.5783173043310603		-549.5	220. AMP26: amp-omnireactant(H+, Mg2+)	-	O	-778.5207131817067	-698.6520818159983	-619.2725811652062	-544.5874192234854	-1.9837834617916488	-475.3505328809528	-406.7960057415119	-338.2942675305469	-544.5874192234855	-475.35053288095304	-338.2942675305469	-406.79600574151215	-698.6520815178948	-619.2725759195916	-544.5873783606554	-475.35048086437877	-406.7959527997928	-544.5768330534644	-489.75783012990644	-500.7235306854542	-554.6685030740879	-489.7577844049888	-500.72419539052004		-554.8756450188374	546.2257543561956	529.1017258485898	529.3609571218246	529.3140579347782	529.1715372958761							535.7382080404423	535.6894212456664			-5.095584289548924	540.8516808214092	540.8177254787735	540.3906689816447	535.6894212456664	524.7879709952146	512.984728213163	501.1156044995091								515.8996535265921	521.2891066371161	526.6464264572766	529.3140579347782	531.9748921251501	535.6894212456664	537.2778022014857	542.5582939127629	547.819224148834	558.2920911150223	568.7122400073599											537.0322432967646	535.8909250089747	535.6894212456664	535.533425440451	535.4056484307947						522.8085173877498	533.5640867383339	535.6894212456664	536.0167049751823	536.048802310118						529.0621361699547	-511.3853210246334	553.3418065061114	535.5285667219963	535.4196227675255	535.5756147144068	536.9184074422872	977.7276127328057	529.0621361699547	-619.2725759195916	-619.2725759195916	527.8982127195078																		-
221. AMP27	AMP27			250	221		262																0																																																		0				AMP27																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												221. AMP27																																											0
222. AMP31: H2amp-species	AMP31: H2amp-species	H2amp-species	C10H14N5O7P	251	222	H2amp-species	263	C00020			10	14	5	7	1	0	0	0		-10	30	70	347.12	-1099.3																																												0.001	-17.813239784115144	-1099.3	-1099.3	E	0				AMP31: H2amp-species	-1623.6	E<O	550.7956949688321																					550.7956949688321	550.7956949688321		550.7956949688321	1693.4735876265802		-1078.1978701995638	820.015659867149	1094.4438429388424	1378.6600778446777	1693.0501236673101	2027.661973394926	2368.412289617132	2725.6900813218926	-1078.1978701995638	-496.29870391846896	-496.29870391846896	-496.29870391846896	568.5422594667533	550.7290196826382	1010.6325728504208	1010.6325728504208	2045.6251266469953	380.91998815253544	1693.0501236673101	-1099.3	561.1863306234885			-528.5796195877687							222. AMP31: H2amp-species	-1099.3	E	-768.3160186942495	-688.4038856587558	-608.4917526232623	-528.5796195877687	-2.0420297615681613	-448.667486552275	-368.7553535167814	-288.84322048128774			-288.84322048128774																														550.7956949688321															530.0287013584156	535.623381986584	541.218062614752	544.0154029288361	546.8127432429203	550.7290196826382	552.4074238710886	558.002104499257	563.596785127425	574.7861463837612	585.9755076400979
223. AMP32	AMP32			252	223		264																0																																																		0				AMP32																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												223. AMP32																																											0
224. AMPCYCLIC	AMPCYCLIC			253	224																		0																																																		0				AMPCYCLIC																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												224. AMPCYCLIC																																											0
225. AMPcyclic11: cyclicamp-1 -species with 7 H is what Alberty used	AMPcyclic11: cyclicamp-1 -species with 7 H is what Alberty used	cyclicamp-1 -species with 7 H is what Alberty used	C10H10N5O6P 1-	254	225	cyclicamp-1 -species with 7 H is what Alberty used	265		60-92-4		10	7	5	6	1	0	0	-1		-14	26	66	324.12		£	-		-	-	-	-	-	-		-	-	-	-	-		-629.68	-	-	-	-	£		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-629.68	-629.68	A	0				AMPcyclic11: cyclicamp-1 -species with 7 H is what Alberty used	-1623.6	XA	595.4973709424115	595.4402206971025	595.4402206971025	-345.1234618565164	-345.1234618565164		-100	-345.1234618565164	-345.1234618565164	-0.8096889262641842	-367.9212518096423											595.4973709424115	595.4973709424115		595.4973709424115	1738.1752636001595		-589.676511822908	953.793059802189	1198.5325099003571	1453.0600118326672	1737.7613246817746	2042.6844414358648	2353.746024684546	2681.3350834157814	-589.676511822908	-298.72692868236055	-299.4673652775444	-299.4673652775444	613.2534604812176	595.4402206971025	1055.3437738648852	1055.3437738648852	2090.3363276614596	425.6311891669998	1737.7613246817746	-629.68	588.955601460929	595.4402206971025	1051.4562362220588	-345.1294987201485							225. AMPcyclic11: cyclicamp-1 -species with 7 H is what Alberty used	-629.68	A	-464.9976982733889	-425.0416317556421	-385.0855652378953	-345.1294987201485	-2.725431680429253	-305.17343220240167	-265.21736568465485	-225.26129916690803	-345.1294987201486	-305.1734322024018	-225.26129916690803	-265.21736568465496	-425.0416177696477	-385.08555125190094	-345.1294847341541	-305.1734182164073	-265.2173516986605	-345.1234618565164	-280.67292076580696	-293.5662033170668	-350.7972233020365	-280.67290568345203	-293.56618845964675	-350.7972233020365	-350.7972233020365	593.0039761622776	575.8799476546718	575.9926284811983	575.9524291780157	575.8895758384755	-350.7972233020365	593.0039761622776	575.8799476546718	575.9926284811983	575.9524291780157	575.8895758384755	595.4820379497675	595.4402206971025	595.4820379497675	595.4402206971025	-89.00904867526663	684.5064196176781	654.817686644153	625.1289536706279	595.4402206971025	565.7514877235773	536.062754750052	506.3740217765268	684.5064196176781	654.817686644153	625.1289536706279	595.4402206971025	565.7514877235773	536.062754750052	506.3740217765268	535.3460504013624	551.5896587842715	567.8318698453455	575.9524291780157	584.0726125376117	595.4402206971025	600.3118158140958	616.5494086278248	632.7853199318251	665.2518138227456	697.7107291110701	535.3460504013624	551.5896587842715	567.8318698453455	575.9524291780157	584.0726125376117	595.4402206971025	600.3118158140958	616.5494086278248	632.7853199318251	665.2518138227456	596.1806572922864	595.5304437093531	595.4402206971025	595.3734511534736	595.3205190644139	596.1806572922864	595.5304437093531	595.4402206971025	595.3734511534736	595.3205190644139	595.4402206971025	595.4402206971025	595.4402206971025	595.4402206971025	595.4402206971025	595.4402206971025	595.4402206971025	595.4402206971025	595.4402206971025	595.4402206971025	575.7957905896919	-299.58705205281285	613.0362001163969	595.2229603322818	595.27589150703	595.3426598973289	596.0830837027341	1024.461267152543	575.7957905896919	-385.08555125190094	-385.08555125190094	588.8216177696477	-302.84766266654196		1.0623221821055167	-0.1770536970175861	-304.08703854566505											0.001	-	-629.68
226. AMPcyclic12: cyclicamp-1 -species with 10 H is correct	AMPcyclic12: cyclicamp-1 -species with 10 H is correct	cyclicamp-1 -species with 10 H is correct		255	226	cyclicamp-1 -species with 10 H is correct	266				10	10	5	6	1	0	0	-1		-11	29	69	327.12		-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-629.68	-629.68	A	37.656	9	-667.3359999999999		AMPcyclic12: cyclicamp-1 -species with 10 H is correct	-1623.6	X	720.1900494312175	720.1328991859085	720.1328991859085	-222.82365025519596	-222.82365025519596		-100	-222.82365025519593	-222.82365025519593	-0.8096889262641842	-248.05305225640183											720.1900494312175	720.1900494312175		720.1900494312175	1862.8679420889655		-589.676511822908	1025.0460189386495	1287.598708820933	1559.9394505373582	1862.4540031705806	2185.190359708786	2514.0651827415822	2859.467481256933	-589.676511822908	-174.0342501935545	-174.77468678873834	-174.77468678873834	737.9461389700236	720.1328991859085	1180.0364523536912	1180.0364523536912	2215.0290061502656	550.3238676558058	1862.4540031705806	-629.68	711.2528258349786	720.1328991859085	1176.1489147108648	-222.83227434609887		-351				-352.1	226. AMPcyclic12: cyclicamp-1 -species with 10 H is correct	-629.68	A	-394.07255942215664	-336.99246439680405	-279.91236937145146	-222.83227434609887	-4.231982671920459	-165.75217932074628	-108.67208429539363	-51.5919892700411	-222.83227434609904	-165.75217932074645	-51.5919892700411	-108.67208429539386	-336.99245041080974	-279.91235538545715	-222.83226036010456	-165.75216533475196	-108.67207030939937	-222.82365025519596	-152.1546867553318	-166.29315471690393	-230.92902374879606	-152.15467167297686	-166.29313985948386	-230.92902374879606	-230.92902374879606	712.8721757155181	695.7481472079123	695.8608280344387	695.8206287312561	695.7577753917159	-230.92902374879606	712.8721757155181	695.7481472079123	695.8608280344387	695.8206287312561	695.7577753917159	720.1747164385736	720.1328991859085	720.1747164385736	720.1328991859085	-35.56932932292125	755.7593787541388	743.8838855647288	732.0083923753187	720.1328991859085	708.2574059964985	696.3819128070883	684.5064196176783	755.7593787541388	743.8838855647288	732.0083923753187	720.1328991859085	708.2574059964985	696.3819128070883	684.5064196176783	645.1632521721745	665.4272596680548	685.6898698421004	695.8206287312561	705.9510116473377	720.1328991859085	726.2106140367931	746.4686059634937	766.7249163804653	807.2322084973282	847.7319220115955	645.1632521721745	665.4272596680548	685.6898698421004	695.8206287312561	705.9510116473377	720.1328991859085	726.2106140367931	746.4686059634937	766.7249163804653	807.2322084973282	720.8733357810924	720.2231221981592	720.1328991859085	720.0661296422796	720.01319755322	720.8733357810924	720.2231221981592	720.1328991859085	720.0661296422796	720.01319755322	720.1328991859085	720.1328991859085	720.1328991859085	720.1328991859085	720.1328991859085	720.1328991859085	720.1328991859085	720.1328991859085	720.1328991859085	720.1328991859085	695.6639901429323	-174.8943735640068	737.7288786052029	719.9156388210878	719.968569995836	720.0353383861349	720.7757621915401	1144.3294667057835	695.6639901429323	-279.91235538545715	-279.91235538545715	711.1188421436973	-179.8451328722347		1.593483273158275	-0.1770536970175861	-181.61566984241057
227. AMPcyclic13: cyclic AMP	AMPcyclic13: cyclic AMP	cyclic AMP	C10H11N5O6P	256	227	cyclic AMP	267				10	11	5	6	1	0	0	0		-11	29	69	328.12	-831.3																																												0.001	-17.813239784115144	-831.3	-831.3	E	0				AMPcyclic13: cyclic AMP	-1641.9	E<OAMP	553.4964126756691	553.4392624303601	721.132899185909	-382.867357461825																		553.4964126756691	553.4964126756691		553.4964126756691	1696.1743053334171		0	269.2866401845108	543.7148232562042	827.9310581620393	1142.321103984672	1476.9329537122876	1817.6832699344939	2174.9610616392547	0	0	0	0	0	0	459.90355316778266	459.90355316778266	1494.896106964357	-169.80903153010263	1142.321103984672												227. AMPcyclic13: cyclic AMP	-831.3	E																																									553.4964126756691
334. aspartate51: L-asparate +	aspartate51: L-asparate +	L-asparate +	C4H8NO4+	363	334	L-asparate +	373				4	8	1	4	0	0	0	-1		-2	14	22	134.05	-737.2	-	-		-	-	-	-	-	-		-	-731.69	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-737.2	-737.2	E	0				aspartate51: L-asparate +	-947.42496	E<XX	193.73995924340514																					193.73995924340514	193.73995924340514		193.73995924340514	537.2698981342104		-728.7388243501593	231.64547603934756	327.15469838414236	426.47287918479833	537.1838800025585	654.841833318136	774.5679154356837	900.8581857038508	-728.7388243501593	-396.22501504667656	-396.9654516418604	-396.9654516418604	211.51509886398088	193.70185907986573	193.70185907986573	193.70185907986573	607.6988805984955	274.75785289960356	537.1838800025585	-737.2	210.83964285858633			-411.883757262132							334. aspartate51: L-asparate +	-737.2	E	-548.8759853229782	-503.21190930269614	-457.5478332824141	-411.883757262132	-1.4703753324268738	-366.2196812418499	-320.5556052215679	-274.8915292012858			-274.8915292012858																														193.73995924340514															194.00225870138416	193.92301034989913	193.84236467657897	193.80149564205186	193.76025063445084	193.70185907986573	193.67659717654067	193.59133325587567	193.50438782548164	193.32516824761353	193.1383700671498
335. ATP	ATP			364	335																		0																																																		0				ATP																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												335. ATP																																											0
336. ATP11: ATP4- -species	ATP11: ATP4- -species	ATP4- -species	C10H12N5O13P3 4-	365	336	ATP4- -species	375				10	12	5	13	3	0	0	-4		-10	30	70	503.05999999999995		£	-		-	-	-2771.1	-	-	-		-	-	-	-2768.1	-		-2768.1	-	-	-	-	£		-	-3619.21	-3609.3	-	-		-3619.21	-	-	-	-	-	-	-	-	-	-	182.8	-	-	0.001	-17.813239784115144	-2768.1	-2768.1	A page 118, G	0				ATP11: ATP4- -species	-3619.21	A page 118, G	-287.0482535436937	-287.1720790751966	-287.1720790751966	-2291.855776414945	-2291.855776414945		-100	-2291.855776414945	-2291.855776414945	-12.955022820226947	-2318.7062531148713	-280.10458387220325	6.943669671490454	14.771057457750443	23.469710984665937		-286.0102648459442	1.0379886977494834	1.5200145747775875	148.82288646556694		-287.0482535436937	-287.0482535436937		-287.0482535436937	1775.8860833629824		-2733.8443568673483	932.9301166382245	1195.54010180346	1468.4694501918145	1774.9561312450405	2107.3734615241306	2447.8655472771393	2805.1191187247146	-2733.8443568673483	-2235.0736429121243	-2246.9206284350657	-2246.9206284350657	-269.3588392910815	-287.1720790751966	1092.5385804281514	1092.5385804281514	2127.531134224726	462.82599573026596	1774.9561312450405	-2768.1	-268.0150749316938	-287.1720790751966	1080.8759674996722	-2291.8661253240284							336. ATP11: ATP4- -species	-2768.1	A page 118, G	-2497.354467415298	-2428.858353384875	-2360.3622393544515	-2291.8661253240284	-0.8747534812910984	-2223.3700112936053	-2154.8738972631822	-2086.377783232759	-2291.866125324029	-2223.370011293606	-2086.377783232759	-2154.8738972631827	-2428.8581296089633	-2360.36201557854	-2291.865901548117	-2223.369787517694	-2154.873673487271	-2291.855776414945	-2225.178075561445	-2238.5143741126544	-2301.5822246072653	-2225.177834243766	-2238.5141363939333	-2301.5822246072653	-2301.5822246072653	-256.67962576791797	-273.80365427552374	-272.0007610511009	-272.0878595413301	-273.09351297397325	-2301.5822246072653	-256.67962576791797	-273.80365427552374	-272.0007610511009	-272.0878595413301	-273.09351297397325	-287.0814750277556	-287.1720790751966	-287.0814750277556	-287.1720790751966	-249.2615314461095	-37.786722097584196	-120.91517442345472	-204.04362674932568	-287.1720790751966	-370.3005314010667	-453.42898372693764	-536.5574360528086	-37.78672209758419	-120.9151744234547	-204.04362674932568	-287.1720790751966	-370.3005314010667	-453.42898372693764	-536.5574360528086	-240.77141196932274	-253.28108104216085	-265.81310726435606	-272.0878595413301	-278.3686273874841	-287.1720790751966	-290.94877816311964	-303.5546963428381	-316.18751867821527	-341.5384228222502	-367.0105846078234	-240.77141196932274	-253.28108104216085	-265.813107264356	-272.0878595413301	-278.3686273874841	-287.1720790751966	-290.94877816311964	-303.5546963428381	-316.18751867821527	-341.5384228222502	-275.3250935522552	-285.72851087918536	-287.1720790751966	-288.2403917732578	-289.08730519821313	-275.3250935522552	-285.72851087918536	-287.1720790751966	-288.2403917732578	-289.08730519821313	-287.1720790751966	-287.1720790751966	-287.1720790751966	-287.1720790751966	-287.1720790751966	-287.1720790751966	-287.1720790751966	-287.1720790751966	-287.1720790751966	-287.1720790751966	-273.2965327795537	-2248.835616839361	-271.48523713940676	-289.2984769235219	-288.451578127551	-287.3832838827685	-275.5365029962851	1072.6998969089996	-273.2965327795537	-2358.960067712976	-2358.960067712976	-263.0978919226252	-2244.667096842401		-0.7082147880703444	-2.8328591522813777	-2246.7917412066117	-2241.854901757463	3.1093904714830445	14.170657988414984	-2248.427046912086	-2244.667096842401	-2245.733057001065	0.6505068285507373	74.55715672035657	-2256.4212439334487	-2244.667096842401	0.001		-2768.1	.
337. ATP12: HATP3- -species	ATP12: HATP3- -species	HATP3- -species	C10H13N5O13P3 3-	366	337	HATP3- -species	376				10	13	5	13	3	0	0	-3		-10	30	70	504.05999999999995		£	-		-	-	-2811	-	-	-		-	-	-	-2811.48	-		-2811.48	-	-	-	-	£		-	-3612.91	-3605.2	-	-		-3612.91	-	-	-	-	-	-	-	-	-	-	349.4	-	-	0.001	-17.813239784115144	-2811.48	-2811.48	A page 118, G	0				ATP12: HATP3- -species	-3612.91	A page 118, G	-285.68050165217085	-285.80432718367376	-285.80432718367376	-2288.801350063989	-2288.801350063989		-100	-2288.8013500639895	-2288.8013500639895	-7.287200336377658	-2316.462364113275		5.575917779967597	8.690863741909657				-0.32976319377337404	0.8754432287413881			-285.68050165217085	-285.68050165217085		-285.68050165217085	1777.2538352545052		-2779.223887305048	916.4846287456319	1185.0323605055723	1463.8994554886324	1776.3238831365634	2114.678960010358	2461.108792358072	2824.300110400353	-2779.223887305048	-2238.8889471868883	-2245.552876543543	-2245.552876543543	-267.99108739955864	-285.80432718367376	1093.9063323196742	1093.9063323196742	2128.898886116249	464.1937476217888	1776.3238831365634	-2811.48	-264.9615109898284	-285.80432718367376	1082.243719391195	-2288.812561382163							337. ATP12: HATP3- -species	-2811.48	A page 118, G	-2511.424931981038	-2437.2208084480794	-2363.0166849151215	-2288.812561382163	-0.8751839681097981	-2214.6084378492046	-2140.404314316246	-2066.200190783288	-2288.812561382163	-2214.6084378492046	-2066.200190783288	-2140.4043143162467	-2437.2206825741296	-2363.016559041171	-2288.8124355082127	-2214.6083119752543	-2140.4041884422963	-2288.801350063989	-2222.105954857111	-2235.44858742186	-2299.3383356056693	-2222.105819115917	-2235.448453705079	-2299.3383356056693	-2299.3383356056693	-254.43573676632195	-271.5597652739277	-270.54563783518984	-270.63273632541905	-271.1984163812808	-2299.3383356056693	-254.43573676632195	-271.5597652739277	-270.54563783518984	-270.63273632541905	-271.1984163812808	-285.7137231362327	-285.80432718367376	-285.7137231362327	-285.80432718367376	-231.44829166199403	-54.232209990176806	-131.42291572134232	-208.61362145250783	-285.80432718367376	-362.99503291483927	-440.1857386460048	-517.3764443771705	-54.2322099901768	-131.42291572134232	-208.61362145250783	-285.80432718367376	-362.99503291483927	-440.1857386460048	-517.3764443771705	-239.08657337771814	-251.695526706568	-264.31705593193203	-270.63273632541905	-276.95180047657	-285.80432718367376	-289.6003997632438	-302.26349321471463	-314.94172025374326	-340.3461327855203	-365.81875274066283	-239.08657337771814	-251.695526706568	-264.317055931932	-270.63273632541905	-276.95180047657	-285.80432718367376	-289.6003997632438	-302.26349321471463	-314.94172025374326	-340.3461327855203	-279.1403978270192	-284.99232007341755	-285.80432718367376	-286.40525307633345	-286.8816418778707	-279.1403978270192	-284.99232007341755	-285.80432718367376	-286.40525307633345	-286.8816418778707	-285.80432718367376	-285.80432718367376	-285.80432718367376	-285.80432718367376	-285.80432718367376	-285.80432718367376	-285.80432718367376	-285.80432718367376	-285.80432718367376	-285.80432718367376	-271.40152806402875	-2246.630057520959	-269.2796778210045	-287.0929176051196	-286.6165370323862	-286.01562151969586	-279.3518072710491	1074.5949016245245	-271.40152806402875	-2358.960067712976	-2358.960067712976	-263.0978919226252	-2247.8064081362077		0.7082147880703444	-1.593483273158275	-2250.1081061974364	-2241.854901757463	11.032115679759244	14.170657988414984	-2248.427046912086	-2247.8064081362077	-2245.733057001065	2.3079978693130108	74.55715672035657	-2256.4212439334487	-2247.8064081362077	0.001		-2811.48
338. ATP13: H2ATP2- -species	ATP13: H2ATP2- -species	H2ATP2- -species	C10H14N5O13P32-	367	338	H2ATP2- -species	377				10	14	5	13	3	0	0	-2		-10	30	70	505.05999999999995		£	-		-	-	-2851	-	-	-		-	-	-	-2838.18	-		-2838.18	-	-	-	-	£		-	-3627.91	-3621.7	-	-		-3627.91	-	-	-	-	-	-	-	-	-	-	388.7	-	-	0.001	-17.813239784115144	-2838.18	-2838.18	A page 118, G	0				ATP13: H2ATP2- -species	-3627.91	A page 118, G	-267.58499642074514	-267.70882195224806	-267.70882195224806	-2270.686301565561	-2270.686301565561		-100	-2270.6863015655613	-2270.6863015655613	-3.238755705056737	-2299.1578529642065		-12.519587451458108	0.007789785005835707				-18.42526842519908	5.916060810503078E-4			-267.58499642074514	-267.58499642074514		-267.58499642074514	1795.349340485931		-2806.394791212477	916.7668941929426	1191.252372547588	1476.0572141253526	1794.419388367989	2138.7122118364887	2491.079790778908	2860.2088554158936	-2806.394791212477	-2224.495624931382	-2227.457371312117	-2227.457371312117	-249.89558216813293	-267.70882195224806	1112.0018375511	1112.0018375511	2146.9943913476745	482.2892528532145	1794.419388367989	-2838.18	-246.84732490049032	-267.70882195224806	1100.3392246226208	-2270.698375292825							338. ATP13: H2ATP2- -species	-2838.18	A page 118, G	-2510.4347743993058	-2430.5226413638125	-2350.6105083283187	-2270.698375292825	-0.8821574017349452	-2190.786242257331	-2110.874109221838	-2030.9619761863444	-2270.6983752928254	-2190.7862422573317	-2030.9619761863444	-2110.874109221838	-2430.5225854198347	-2350.610452384341	-2270.6983193488477	-2190.786186313354	-2110.87405327786	-2270.686301565561	-2202.189371679835	-2215.8944506565394	-2282.033824456601	-2202.189311350415	-2215.8943912268587	-2282.033824456601	-2282.033824456601	-237.13122561725368	-254.25525412485945	-253.80453081875407	-253.89162930898328	-254.14304266714407	-2282.033824456601	-237.13122561725368	-254.25525412485945	-253.80453081875407	-253.89162930898328	-254.14304266714407	-267.618217904807	-267.70882195224806	-267.618217904807	-267.70882195224806	-213.63505187787902	-53.94994454286611	-125.20290367932662	-196.45586281578758	-267.70882195224806	-338.96178108870856	-410.21474022516907	-481.4676993616298	-53.949944542866106	-125.20290367932661	-196.45586281578758	-267.70882195224806	-338.96178108870856	-410.21474022516907	-481.4676993616298	-225.13306374973575	-236.63226248444312	-248.13705050649114	-253.89162930898328	-259.64771200377066	-267.70882195224806	-271.16453116417824	-282.68779217560615	-294.2177792259489	-317.2990681949555	-340.4106715743451	-225.13306374973575	-236.63226248444312	-248.13705050649114	-253.89162930898328	-259.64771200377066	-267.70882195224806	-271.16453116417824	-282.68779217560615	-294.2177792259489	-317.2990681949555	-264.7470755715127	-267.34792990324524	-267.70882195224806	-267.9759001267636	-268.1876284830024	-264.7470755715127	-267.34792990324524	-267.70882195224806	-267.9759001267636	-268.1876284830024	-267.70882195224806	-267.70882195224806	-267.70882195224806	-267.70882195224806	-267.70882195224806	-267.70882195224806	-267.70882195224806	-267.70882195224806	-267.70882195224806	-267.70882195224806	-254.34621997644035	-2227.936118413191	-250.58573871323642	-268.39897849735155	-268.18725379835917	-267.9201802371632	-264.9584850155426	1091.6502097121129	-254.34621997644035	-2358.960067712976	-2358.960067712976	-263.0978919226252	-2233.09120029378		1.7705369701758613	-0.7082147880703444	-2235.569952052026	-2241.854901757463	0.029151837172695913	14.170657988414984	-2248.427046912086	-2233.09120029378	-2245.733057001065	0.006098773801346714	74.55715672035657	-2256.4212439334487	-2233.09120029378	0.001		-2838.18
339. ATP14: MgATP2-	ATP14: MgATP2-	MgATP2-	C10H12N5O13P3Mg2-	368	339	MgATP2-	378				10	12	5	13	3	0	1	-2		-12	28	70	527.3699999999999		£	-		-	-	-3242.8	-	-	-		-	-	-	-3258.77	-		-3258.68	-	-	-	-	£		-	-4063.31	-4057.2	-	-		-4063.31	-	-	-	-	-	-	-	-	-	-	240.9	-	-	0.001	-17.813239784115144	-3258.68	-3258.68	A page 118, G	0				ATP14: MgATP2-	-4063.31	A page 118, G	-297.971414731409	-298.09524026291194	-298.09524026291194	-2753.359039404231	-2297.059039404231		-100	-2307.0590394042315	-2297.0590394042315	-3.238755705056737	-2327.1459574920946					-288.2423115476499		11.961149885464806	124.59562654346831			-297.971414731409	-297.971414731409		-297.971414731409	1764.962922175267		-3226.295093073956	922.0069554505092	1184.6169406157446	1457.5462890040992	1764.0329700573252	2096.4503003364152	2436.942386089424	2794.1959575369997	-3226.295093073956	-2727.524379118732	-2730.4861254994676	-2257.843789622781	-280.2820004787968	-298.09524026291194	1081.615419240436	1081.615419240436	2116.60797303701	451.90283454255064	1764.0329700573252	-3258.68	-273.21607954783826	-298.09524026291194	1069.952806311957	-2297.067129940173							339. ATP14: MgATP2-	-3258.68	A page 118, G	-2502.5554720314426	-2434.0593580010195	-2365.563243970596	-2297.067129940173	-0.8702817994095063	-2228.57101590975	-2160.0749018793267	-2091.5787878489036	-2297.0671299401733	-2228.5710159097503	-2091.5787878489036	-2160.074901879327	-2434.059302057042	-2365.5631880266187	-2297.0670739961956	-2228.5709599657725	-2160.0748459353495	-2297.059039404231	-2231.429077911008	-2244.54199384072	-2306.7854875965513	-2231.429017581588	-2244.5605627966174	-2306.7854875965513	-2310.0219289844886	-265.11933014514125	-282.243358652747	-281.79263534664165	-281.87973383687086	-282.13114719503164	-2310.0219289844886	-265.11933014514125	-282.243358652747	-281.79263534664165	-281.87973383687086	-282.13114719503164	-298.0046362154709	-298.09524026291194	-298.0046362154709	-298.09524026291194	-249.2615314461095	-48.70988328529952	-131.83833561117004	-214.966787937041	-298.09524026291194	-381.223692588782	-464.35214491465297	-547.4805972405235	-48.70988328529951	-131.83833561117004	-214.966787937041	-298.09524026291194	-381.223692588782	-464.35214491465297	-547.4805972405235	-248.12468123017374	-261.6224747838603	-275.1258576248889	-281.87973383687086	-288.6351139411485	-298.09524026291194	-302.1505279205362	-315.6723837509442	-329.2009656202657	-356.279444227233	-383.38823724458234	-248.12468123017374	-261.6224747838603	-275.12585762488885	-281.87973383687086	-288.6351139411485	-298.09524026291194	-302.1505279205362	-315.6723837509442	-329.2009656202657	-356.279444227233	-295.1334938821766	-297.73434821390913	-298.09524026291194	-298.36231843742746	-298.5740467936663	-295.1334938821766	-297.73434821390913	-298.09524026291194	-298.36231843742746	-298.5740467936663	-315.90848004702696	-304.03298685761695	-298.09524026291194	-292.15749366820694	-286.2197470735015	-315.90848004702696	-304.03298685761695	-298.09524026291194	-292.15749366820694	-286.2197470735015	-282.3343245043279	-2254.8820432420453	-277.5316635420909	-295.344903326206	-298.57367210902305	-298.3065985478271	-295.34490332620646	1063.6621051842253	-282.3343245043279	-2358.960067712976	-2358.960067712976	-263.0978919226252	-2256.210958272988		2.1246443642110333	-0.7082147880703444	-2259.04381742527						-2245.733057001065	68.49342503415163	74.55715672035657	-2256.4212439334487	-2256.210958272988			-3258.68
340. ATP15: MgHATP-	ATP15: MgHATP-	MgHATP-	10H13N5O13P3Mg-	369	340	MgHATP-	379				10	13	5	13	3	0	1	-1		-12	28	70	528.3699999999999		£	-		-	-	-3282.8	-	-	-		-	-	-	-3287.59	-		-3287.5	-	-	-	-	£		-	-4063.01	-4057.8	-	-		-4063.02	-	-	-	-	-	-	-	-	-	-	338.5	-	-	0.001	-17.813239784115144	-3287.5	-3287.5	A page 118, G	0				ATP15: MgHATP-	-4063.02	A page 118, G	-284.1775038038851	-284.301329335388	-284.301329335388	-2738.9833687583323	-2282.683368758332		-100	-2292.6833687583317	-2282.6833687583317	-0.8096889262641842	-2313.5808241955556							-1.8327610420591327	0.4774348943376224			-284.1775038038851	-284.1775038038851		-284.1775038038851	1778.756833102791		-3256.286718094919	917.9876265939176	1186.535358353858	1465.4024533369181	1777.8268809848491	2116.1819578586437	2462.611790206358	2825.8031082486386	-3256.286718094919	-2715.9517779767593	-2716.692214571943	-2244.049878695257	-266.4880895512729	-284.301329335388	1095.40933016796	1095.40933016796	2130.401883964534	465.6967454700746	1777.8268809848491	-3287.5	-258.8412713110299	-284.301329335388	1083.7467172394809	-2282.6923217033645							340. ATP15: MgHATP-	-3287.5	A page 118, G	-2505.3046923022393	-2431.1005687692814	-2356.896445236323	-2282.6923217033645	-0.8755077497295697	-2208.488198170406	-2134.2840746374477	-2060.0799511044893	-2282.6923217033645	-2208.488198170406	-2060.0799511044893	-2134.2840746374477	-2431.100554783287	-2356.8964312503285	-2282.69230771737	-2208.4881841844117	-2134.2840606514533	-2282.683368758332	-2216.2547168155434	-2229.528854644678	-2293.2203543000123	-2216.2547017331885	-2229.547468172836	-2293.2203543000123	-2296.4567956879496	-251.55419684860226	-268.67822535620803	-268.56554452968135	-268.65264301991056	-268.71549635945075	-2296.4567956879496	-251.55419684860226	-268.67822535620803	-268.56554452968135	-268.65264301991056	-268.71549635945075	-284.21072528794696	-284.301329335388	-284.21072528794696	-284.301329335388	-231.44829166199403	-52.72921214189105	-129.91991787305656	-207.11062360422207	-284.301329335388	-361.4920350665535	-438.682740797719	-515.8734465288845	-52.72921214189104	-129.91991787305656	-207.11062360422207	-284.301329335388	-361.4920350665535	-438.682740797719	-515.8734465288845	-236.05802630789088	-249.09481612045033	-262.13300325484636	-268.65264301991056	-275.17265875804964	-284.301329335388	-288.2138536770358	-301.2566590587756	-314.30114595024486	-340.39544845026427	-366.49732955287845	-236.05802630789088	-249.09481612045033	-262.1330032548463	-268.65264301991056	-275.17265875804964	-284.301329335388	-288.2138536770358	-301.2566590587756	-314.30114595024486	-340.39544845026427	-283.56089274020417	-284.2111063231374	-284.301329335388	-284.36809887901666	-284.4210309680767	-283.56089274020417	-284.2111063231374	-284.301329335388	-284.36809887901666	-284.4210309680767	-302.114569119503	-290.239075930093	-284.301329335388	-278.363582740683	-272.425836145978	-302.114569119503	-290.239075930093	-284.301329335388	-278.363582740683	-272.425836145978	-268.9187130446762	-2240.729071988716	-263.3786922887616	-281.19193207287674	-284.57949437993796	-284.5127259896391	-283.77230218423404	1077.077716643877	-268.9187130446762	-2358.960067712976	-2358.960067712976	-263.0978919226252	-2244.6705789381294		2.8328591522813777	-0.1770536970175861	-2247.6804917874283						-2245.733057001065	0.6514212125580446	74.55715672035657	-2256.4212439334487	-2244.6705789381294			-3287.5
341. ATP16: Mg2ATP	ATP16: Mg2ATP	Mg2ATP	10H12N5O13P3Mg2	370	341	Mg2ATP	380				10	12	5	13	3	0	2	0		-14	26	70	551.68		£	-		-	-	-3714.6	-	-	-		-	-	-	-3729.52	-		-3729.33	-	-	-	-	£		-	-4519.51	-4514.6	-	-		-4519.51	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3729.33	-3729.33	A page 118, G	0				ATP16: Mg2ATP	-4519.51	A page 118, G	-293.59891892376174	-293.72274445526466	-293.72274445526466	-3201.4098138036316	-2288.8098138036316		-100	-2308.809813803632	-2288.809813803632	0	-2322.1331732794324							7.588654077817523	21.35377561816098			-293.59891892376174	-293.59891892376174		-293.59891892376174	1769.3354179829144		-3697.52667952373	926.3794512581565	1188.989436423392	1461.9187848117465	1768.4054658649725	2100.8227961440625	2441.3148818970712	2798.5684533446465	-3697.52667952373	-3198.755965568506	-3198.755965568506	-2253.471293815134	-275.90950467114953	-293.72274445526466	1085.9879150480833	1085.9879150480833	2120.9804688446575	456.2753303501979	1768.4054658649725	-3729.33	-264.96459557409776	-293.72274445526466	1074.3253021196042	-2288.8156459664324							341. ATP16: Mg2ATP	-3729.33	A page 118, G	-2494.303988057702	-2425.807874027279	-2357.3117599968555	-2288.8156459664324	-0.8717245229246972	-2220.3195319360093	-2151.823417905586	-2083.327303875163	-2288.815645966433	-2220.3195319360098	-2083.327303875163	-2151.8234179055867	-2425.807874027279	-2357.311759996856	-2288.815645966433	-2220.3195319360098	-2151.8234179055867	-2288.8098138036316	-2223.1239258241085	-2236.2315696349315	-2298.536261995952	-2223.1239258241085	-2236.2688264060876	-2298.536261995952	-2305.009144771827	-260.10654593247955	-277.2305744400853	-277.2305744400853	-277.31767293031453	-277.31767293031453	-2305.009144771827	-260.10654593247955	-277.2305744400853	-277.2305744400853	-277.31767293031453	-277.31767293031453	-293.6321404078236	-293.72274445526466	-293.6321404078236	-293.72274445526466	-249.2615314461095	-44.337387477652236	-127.46583980352275	-210.59429212939372	-293.72274445526466	-376.8511967811347	-459.9796491070057	-543.1081014328767	-44.33738747765223	-127.46583980352274	-210.59429212939372	-293.72274445526466	-376.8511967811347	-459.9796491070057	-543.1081014328767	-243.14044058666963	-256.8113335241271	-270.48222646158604	-277.31767293031453	-284.15311939904353	-293.72274445526466	-297.8240123365017	-311.49490527395966	-325.1657982114174	-352.5075840863356	-379.84936996125066	-243.14044058666963	-256.8113335241271	-270.482226461586	-277.31767293031453	-284.15311939904353	-293.72274445526466	-297.8240123365017	-311.49490527395966	-325.1657982114174	-352.5075840863356	-293.72274445526466	-293.72274445526466	-293.72274445526466	-293.72274445526466	-293.72274445526466	-293.72274445526466	-293.72274445526466	-293.72274445526466	-293.72274445526466	-293.72274445526466	-329.34922402349514	-305.5982376446751	-293.72274445526466	-281.84725126585465	-269.97175807644464	-329.34922402349514	-305.5982376446751	-293.72274445526466	-281.84725126585465	-269.97175807644464	-277.5209027408496	-2246.5903068515154	-269.239927151561	-287.05316693567613	-293.93415389929453	-293.93415389929453	-293.93415389929453	1068.4755269477037	-277.5209027408496	-2358.960067712976	-2358.960067712976	-263.0978919226252	-2247.9520995228827		3.5410739403517226	0	-2251.4931734632346					-2248.427046912086	-2245.733057001065	2.447707001981799	74.55715672035657	-2256.4212439334487	-2248.427046912086			-3729.33
342. ATP17: atp-blend H, AG]	ATP17: atp-blend H, AG]	atp-reactant H, AG]		371	342	atp-reactant H, AG]	381				10	?	5	13	3	0	0	?							£	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	£		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A page 118, G	0				ATP17: atp-reactant H, AG]	-	A page 118, G						-2292.5															-288.2423115476499	0	-288.2423115476499		-288.2423115476499	1774.6920253590263		-2806.3948342779095	914.9017422465201	1184.805653829338	1463.51943238968	1773.8279544842167	2107.246617686976	2447.853713639019	2805.118037763346	-2806.3948342779095	-2239.3769841184594	-2248.0488051958896	-2248.0488051958896	-270.4870160519052	-288.3002558360203	1091.4104036673275	1091.4104036673275	2126.4029574639017	461.6978189694421	1773.8279544842167	-2838.1800520747056	-268.6500941471167	-288.3002558360203	1079.7477907388486	-2292.501144539451	1.00000049925385	-2293.7	4.617020131828129E-4	-0.4836128445279857	-0.4840745465411685	-2293.4	342. ATP17: atp-reactant H, AG]	-	A page 118, G	-2512.702327060138	-2437.4601058943954	-2363.7596106192054	-2292.501144539451	-0.8742673205489038	-2223.441309150813	-2154.881119601875	-2086.378506409889	-2292.5011445394516	-2223.4413091508136	-2086.378506409889	-2154.8811196018755	-2437.5976191462546	-2363.894183975899	-2292.6301783543877	-2223.5682523210185	-2155.0077936890752	-2292.490600634625	-2225.8087204711996	-2239.1464716296828	-2302.424893064639				-2302.424893064639	-257.5222942252918	-274.64632273289754	-273.0977844188301	-273.1848829090593	-274.0419048485282							-288.20965178857927	-288.3002558360203			-232.42721505836136	-55.81509648928853	-131.64962239757674	-208.99364455146022	-288.3002558360203	-370.42737523822103	-453.44081736505757	-536.5585170141775								-241.79073445827288	-254.33321347200055	-266.8958321730797	-273.1848829090593	-279.4792012942054	-288.3002558360203	-292.0839768445882	-304.71085484529726	-317.36056971954616	-342.7316474068117	-368.2039309065416											-279.6284347585901	-287.1067831186802	-288.3002558360203	-289.20765175503243	-289.9407621815067						-288.3002558360203	-288.3002558360203	-288.3002558360203	-288.3002558360203	-288.3002558360203						-274.24495388352926							1071.751475805024	-274.24495388352926	-2363.7594602276695	-2363.7594602276695	-286.0642493148683		-2378.18								-2248.427046912086					-2248.427046912086	0.001		-
343. ATP18: atp-omniblend (HMg, AG)	ATP18: atp-omniblend (HMg, AG)	atp-omnireactant (HMg, AG)		372	343	atp-omnireactant (HMg, AG)	382				10	?	5	13	3	0	?	?							£	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	£		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A page 118, G	0				ATP18: atp-omnireactant (HMg, AG)	-	A page 118, G																					-298.411884273884	0	-298.411884273884		-298.411884273884	1764.5224526327922	48.38727334123314	-3697.52667952373	914.1492576896728	1182.2873774438035	1456.8896505559567	1763.5925005148501	2096.030406699101	2436.5243756286327	2793.778118790198	-3697.52667952373	-3198.755965568506	-3198.755965568506	-2258.284259165256	-280.7224700212718	-298.53570980538694	1081.174949697961	1081.174949697961	2116.1675034945356	451.4623650000756	1763.5925005148501	-3729.33	-273.6626504106608	-298.53570980538694	1069.512336769482	-2297.5137008029956		-2297.9		-0.1558313405160069		-2299.1	343. ATP18: atp-omnireactant (HMg, AG)	-	A page 118, G	-2512.8650992670323	-2438.1849129161737	-2366.648434739681	-2297.5137008029956	-0.8701152971712042	-2228.9441091336166	-2160.4405306949366	-2091.9436690317834	-2297.513700802996	-2228.944109133617	-2091.9436690317834	-2160.440530694937	-2438.320279911128	-2366.777760230849	-2297.640687491354	-2229.0707877853242	-2160.5671775574697	-2297.5053510757075	-2231.7557824140436	-2244.890135208307	-2307.262708854299				-2310.439044183534	-265.5364453441868	-282.6604738517926	-282.2312560633973	-282.31835455362653	-282.5544114643201							-298.4451057579459	-298.53570980538694			-241.84430322774818	-56.56758104613584	-134.1678987831113	-215.62342638518365	-298.53570980538694	-381.6435862260961	-464.7701553754444	-547.8984359873255								-248.6161661728814	-262.0802568683234	-275.56763259946996	-282.31835455362653	-289.07308752228823	-298.53570980538694	-302.5930693047391	-316.12518925007583	-329.66785822753457	-356.7810153599264	-383.9278349408896											-296.26326871995656	-298.2196825665229	-298.53570980538694	-298.77747543630977	-298.9745076036755						-329.36019533165006	-306.6602373444678	-298.53570980538694	-292.6715461260379	-289.19435390051854						-282.75759113314484							1063.2388385554084	-282.75759113314484	-2366.648351461078	-2366.648351461078	-291.07693376841496															-2256.4212439334487	0.001		-
344. ATP20	ATP20			373	344																		0																																																		0				ATP20																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												344. ATP20																																											0
345. ATP21: ATP4- -species	ATP21: ATP4- -species	ATP4- -species	C10H12N5O13P3 4-	374	345	ATP4- -species	384				10	12	5	13	3	0	0	-4		-10	30	70	503.05999999999995		£	-		-	-	-2771.1	-	-	-		-	-	-	-2768.1	-		-2768.1	-	-	-	-	£		-	-3619.21	-3609.3	-	-		-3619.21	-	-	-	-	-	-	-	-	-	-	182.8	-	-	0.001	-17.813239784115144	-2771.1	-2771.1	O	-252.7136	-60.4	-2518.3864	-839.4621333333333	ATP21: ATP4- -species	-3609.3	O	-290.5678577697546	-290.6916833012575		-2294.855776414945				-2294.855776414945		-12.955022820226947		-285.74342450052256	4.824433269232031	6.493851976489131	7.570573087679141		-282.81676297328517	7.751094796469431	22.799906057479802	27.32888481822408		-290.5678577697546	-290.5678577697546		-290.5678577697546	1772.3664791369215		-2737.363961093409	929.4105124121636	1192.020497577399	1464.9498459657536	1771.4365270189796	2103.853857298069	2444.3459430510784	2801.5995144986537	-2737.363961093409	-2238.5932471381852	-2250.4402326611266	-2250.4402326611266	-272.8784435171424	-290.6916833012575	1089.0189762020905	1089.0189762020905	2124.0115299986646	459.30639150420507	1771.4365270189796	-2771.1	-271.0150749316938	-290.6916833012575	1077.3563632736114	-2294.8661253240284							345. ATP21: ATP4- -species	-2771.1	O	-2500.354467415298	-2431.858353384875	-2363.3622393544515	-2294.8661253240284	-0.873383525704042	-2226.3700112936053	-2157.8738972631822	-2089.377783232759	-2294.866125324029	-2226.370011293606	-2089.377783232759	-2157.8738972631827	-2431.8581296089633	-2363.36201557854	-2294.865901548117	-2226.369787517694	-2157.873673487271	-2294.855776414945	-2228.8275808440208	-2242.0339783387153	-2304.5822246072653	-2228.827339526342	-2242.033740619994		-2304.5822246072653	-259.67962576791797	-276.80365427552374	-275.0007610511009	-275.0878595413301	-276.09351297397325							-290.60107925381647	-290.6916833012575			-249.2615314461095	-41.30632632364509	-124.43477864951561	-207.56323097538657	-290.6916833012575	-373.820135627128	-456.94858795299854	-540.0770402788695								-242.68890316502933	-255.63157575958462	-268.5966055034979	-275.0878595413301	-281.5851291483422	-290.6916833012575	-294.5982834456954	-307.63720514713106	-320.7030310042254	-346.91994219169425	-373.25811102070315											-278.8446977783161	-289.24811510524626	-290.6916833012575	-291.7599959993187	-292.606909424274						-290.6916833012575	-290.6916833012575	-290.6916833012575	-290.6916833012575	-290.6916833012575						-276.2965327795537	-2252.355221065422	-275.00484136546766	-292.8180811495828	-291.9711823536119	-290.9028881088294	-279.056107222346	1069.6998969089996	-276.2965327795537	-2355.6317343796427	-2355.6317343796427	-259.769558589292	-2248.186701068462		-0.7082147880703444	-2.8328591522813777	-2250.3113454326726	-2247.4937423857823	1.3225165295784336	3.093006229727612	-2250.2928406219685	-2248.186701068462	-2242.539555128406	9.757468663006586	23.547801984945846	-2250.3706609067344	-2248.186701068462	0.001		-2771.1	.
346. ATP22: HATP3- -species	ATP22: HATP3- -species	HATP3- -species	C10H13N5O13P3 3-	375	346	HATP3- -species	385				10	13	5	13	3	0	0	-3		-10	30	70	504.05999999999995		£	-		-	-	-2811	-	-	-		-	-	-	-2811.48	-		-2811.48	-	-	-	-	£		-	-3612.91	-3605.2	-	-		-3612.91	-	-	-	-	-	-	-	-	-	-	349.4	-	-	0.001	-17.813239784115144	-2811	-2811	O	0				ATP22: HATP3- -species	-3605.2	O	-285.491496118044	-285.6153216495469		-2288.321350063989				-2288.321350063989		-7.287200336377658			-0.2519283824785816	0.90692572060531				2.674733144758818	2.941663374910302			-285.491496118044	-285.491496118044		-285.491496118044	1777.442840788632		-2779.034881770921	916.6736342797587	1185.2213660396992	1464.0884610227592	1776.5128886706902	2114.867965544485	2461.2977978921986	2824.4891159344797	-2779.034881770921	-2238.6999416527615	-2245.363871009416	-2245.363871009416	-267.8020818654318	-285.6153216495469	1094.095337853801	1094.095337853801	2129.0878916503752	464.3827531559157	1776.5128886706902	-2811	-264.4815109898284	-285.6153216495469	1082.432724925322	-2288.332561382163							346. ATP22: HATP3- -species	-2811	O	-2510.944931981038	-2436.74080844808	-2362.5366849151214	-2288.332561382163	-0.8752403820423699	-2214.1284378492046	-2139.924314316246	-2065.7201907832878	-2288.332561382163	-2214.1284378492046	-2065.7201907832878	-2139.924314316246	-2436.7406825741296	-2362.536559041171	-2288.3324355082127	-2214.1283119752543	-2139.924188442296	-2288.321350063989	-2221.9896979394525	-2235.259581887733	-2298.8583356056693	-2221.989562198258	-2235.259448170952		-2298.8583356056693	-253.95573676632193	-271.0797652739277	-270.0656378351898	-270.152736325419	-270.7184163812808							-285.52471760210585	-285.6153216495469			-231.44829166199403	-54.04320445604994	-131.23391018721546	-208.42461591838097	-285.6153216495469	-362.8060273807124	-439.99673311187837	-517.1874388430437								-238.0003349071498	-250.85178362422744	-263.71580823781835	-270.152736325419	-276.59304817068363	-285.6153216495469	-289.4841428455852	-302.3897316852829	-315.3104541125389	-341.1998574207715	-367.15746815236866											-278.95139229289236	-284.8033145392907	-285.6153216495469	-286.2162475422066	-286.69263634374386						-285.6153216495469	-285.6153216495469	-285.6153216495469	-285.6153216495469	-285.6153216495469						-270.92152806402873	-2246.441051986832	-269.09067228687763	-286.90391207099276	-286.4275314982593	-285.826615985569	-279.16280173692223	1075.0749016245245	-270.92152806402873	-2355.6317343796427	-2355.6317343796427	-259.769558589292	-2247.617402602081		0.7082147880703444	-1.593483273158275	-2249.9191006633096	-2247.4937423857823	1.0511491237048693	3.093006229727612	-2250.2928406219685	-2247.617402602081	-2242.539555128406	7.755331903463226	23.547801984945846	-2250.3706609067344	-2247.617402602081	0.001		-2811
347. ATP23: H2ATP2- -species	ATP23: H2ATP2- -species	H2ATP2- -species	C10H14N5O13P32-	376	347	H2ATP2- -species	386				10	14	5	13	3	0	0	-2		-10	30	70	505.05999999999995		£	-		-	-	-2851	-	-	-		-	-	-	-2838.18	-		-2838.18	-	-	-	-	£		-	-3627.91	-3621.7	-	-		-3627.91	-	-	-	-	-	-	-	-	-	-	388.7	-	-	0.001	-17.813239784115144	-2851	-2851	O	0				ATP23: H2ATP2- -species	-3621.7	O	-281.1709196137691	-281.29474514527203		-2283.506301565561				-2283.506301565561		-3.238755705056737			-4.57250488675345	0.16979539058470025				-1.64584335951605	0.5148262923553322			-281.1709196137691	-281.1709196137691		-281.1709196137691	1781.763417292907		-2819.9807144055007	903.1809709999186	1177.666449354564	1462.471290932329	1780.833465174965	2125.1262886434647	2477.493867585884	2846.6229322228696	-2819.9807144055007	-2238.081548124406	-2241.043294505141	-2241.043294505141	-263.4815053611569	-281.29474514527203	1098.415914358076	1098.415914358076	2133.40846815465	468.70332966019055	1780.833465174965	-2851	-259.6673249004905	-281.29474514527203	1086.7533014295968	-2283.518375292825							347. ATP23: H2ATP2- -species	-2851	O	-2523.254774399306	-2443.3426413638126	-2363.430508328319	-2283.518375292825	-0.8768694297992179	-2203.606242257332	-2123.694109221838	-2043.7819761863445	-2283.5183752928256	-2203.606242257332	-2043.7819761863445	-2123.694109221838	-2443.342585419835	-2363.430452384341	-2283.518319348848	-2203.606186313354	-2123.6940532778603	-2283.506301565561	-2215.966775671115	-2229.4803738495634	-2294.853824456601	-2215.9667153416954	-2229.4803144198827		-2294.853824456601	-249.95122561725384	-267.0752541248596	-266.62453081875424	-266.71162930898345	-266.96304266714424							-281.204141097831	-281.29474514527203			-213.63505187787902	-67.5358677358901	-138.7888268723506	-210.0417860088111	-281.29474514527203	-352.54770428173254	-423.80066341819304	-495.05362255465377								-236.35739043093685	-248.49485849316375	-260.63791584273133	-266.71162930898345	-272.7868466675308	-281.29474514527203	-284.94193515545794	-297.10346549440584	-309.27172187226813	-333.62954949631427	-358.0176915307434											-278.3329987645367	-280.9338530962692	-281.29474514527203	-281.56182331978755	-281.7735516760264						-281.29474514527203	-281.29474514527203	-281.29474514527203	-281.29474514527203	-281.29474514527203						-267.1662199764405	-2241.5220416062148	-264.1716619062604	-281.9849016903755	-281.77317699138314	-281.5061034301872	-278.54440820856655	1078.8302097121127	-267.1662199764405	-2355.6317343796427	-2355.6317343796427	-259.769558589292	-2246.6771234868042		1.7705369701758613	-0.7082147880703444	-2249.1558752450505	-2247.4937423857823	0.7193405764443088	3.093006229727612	-2250.2928406219685	-2246.6771234868042	-2242.539555128406	5.307263066815354	23.547801984945846	-2250.3706609067344	-2246.6771234868042	0.001		-2851
348. ATP24: MgATP2-	ATP24: MgATP2-	MgATP2-	C10H12N5O13P3Mg2-	377	348	MgATP2-	387				10	12	5	13	3	0	1	-2		-12	28	70	527.3699999999999		£	-		-	-	-3242.8	-	-	-		-	-	-	-3258.77	-		-3258.68	-	-	-	-	£		-	-4063.31	-4057.2	-	-		-4063.31	-	-	-	-	-	-	-	-	-	-	240.9	-	-	0.001	-17.813239784115144	-3242.8	-3242.8	O	0				ATP24: MgATP2-	-4057.2	O	-281.69818984460755	-281.82201537611047		-2737.4790394042316				-2291.179039404232		-3.238755705056737						-290.96346828113514		-1.1185731286776104	0.6368460599792881			-281.69818984460755	-281.69818984460755		-281.69818984460755	1781.2361470620685		-3210.0218681871543	938.2801803373106	1200.890165502546	1473.8195138909007	1780.3061949441267	2112.7235252232167	2453.2156109762254	2810.469182423801	-3210.0218681871543	-2711.2511542319303	-2714.2129006126656	-2241.5705647359796	-264.00877559199535	-281.82201537611047	1097.8886441272375	1097.8886441272375	2132.8811979238117	468.1760594293521	1780.3061949441267	-3242.8	-257.3360795478386	-281.82201537611047	1086.2260311987584	-2281.1871299401732							348. ATP24: MgATP2-	-3242.8	O	-2486.6754720314425	-2418.1793580010194	-2349.6832439705963	-2281.1871299401732	-0.8765124587337141	-2212.69101590975	-2144.194901879327	-2075.698787848904	-2281.1871299401737	-2212.6910159097506	-2075.698787848904	-2144.1949018793275	-2418.179302057042	-2349.683188026619	-2281.187073996196	-2212.690959965773	-2144.19484593535	-2281.1790394042314	-2215.0575468025054	-2228.2687689539184	-2290.9054875965517	-2215.0574864730856	-2228.287337909816		-2294.141928984489	-249.2393301451416	-266.36335865274737	-265.912635346642	-265.9997338368712	-266.251147195032							-281.7314113286694	-281.82201537611047			-249.2615314461095	-32.43665839849805	-115.56511072436857	-198.69356305023953	-281.82201537611047	-364.95046770198053	-448.0789200278515	-531.207372353722								-233.06389974434472	-246.23400589236303	-259.4097013277234	-265.9997338368712	-272.59127023831473	-281.82201537611047	-285.7789968120337	-298.97316523677347	-312.1740597004276	-338.5971634960575	-365.05058170207076											-278.8602689953751	-281.46112332710766	-281.82201537611047	-282.089093550626	-282.3008219068648						-299.6352551602255	-287.7597619708155	-281.82201537611047	-275.88426878140547	-269.9465221867						-266.45432450432827	-2238.608818355244	-261.2584386552894	-279.07167843940454	-282.3004472222216	-282.0333736610256	-279.071678439405	1079.542105184225	-266.45432450432827	-2355.6317343796427	-2355.6317343796427	-259.769558589292	-2239.9377333861867		2.1246443642110333	-0.7082147880703444	-2242.7705925384685						-2242.539555128406	0.35009068197323406	23.547801984945846	-2250.3706609067344	-2239.9377333861867			-3242.8
349. ATP25: MgHATP-	ATP25: MgHATP-	MgHATP-	10H13N5O13P3Mg-	378	349	MgHATP-	388				10	13	5	13	3	0	1	-1		-12	28	70	528.3699999999999		£	-		-	-	-3282.8	-	-	-		-	-	-	-3287.59	-		-3287.5	-	-	-	-	£		-	-4063.01	-4057.8	-	-		-4063.02	-	-	-	-	-	-	-	-	-	-	338.5	-	-	0.001	-17.813239784115144	-3282.8	-3282.8	O	0				ATP25: MgHATP-	-4057.8	O	-279.4984328664374	-279.6222583979403		-2734.2833687583325				-2287.983368758332		-0.8096889262641842								-3.3183301068477817	0.26221269678229187			-279.4984328664374	-279.4984328664374		-279.4984328664374	1783.4359040402387		-3251.607647157471	922.6666975313653	1191.2144292913058	1470.0815242743658	1782.5059519222968	2120.8610287960914	2467.290861143805	2830.4821791860863	-3251.607647157471	-2711.2727070393116	-2712.0131436344955	-2239.3708077578094	-261.8090186138252	-279.6222583979403	1100.0884011054077	1100.0884011054077	2135.0809549019823	470.3758164075223	1782.5059519222968	-3282.8	-254.1412713110301	-279.6222583979403	1088.4257881769286	-2277.9923217033647							349. ATP25: MgHATP-	-3282.8	O	-2500.6046923022395	-2426.4005687692816	-2352.196445236323	-2277.9923217033647	-0.8773049275875334	-2203.7881981704063	-2129.584074637448	-2055.3799511044895	-2277.9923217033647	-2203.7881981704063	-2055.3799511044895	-2129.584074637448	-2426.400554783287	-2352.1964312503287	-2277.9923077173703	-2203.788184184412	-2129.5840606514535	-2277.9833687583323	-2211.580878143734	-2224.8497837072305	-2288.5203543000125	-2211.580863061379	-2224.8683972353883		-2291.7567956879498	-246.85419684860244	-263.9782253562082	-263.86554452968153	-263.95264301991074	-264.01549635945094							-279.53165435049925	-279.6222583979403			-231.44829166199403	-48.05014120444334	-125.24084693560886	-202.43155266677437	-279.6222583979403	-356.8129641291058	-434.00366986027177	-511.1943755914368								-231.31442409423966	-244.36865479226003	-257.42428281211653	-263.95264301991074	-270.4813792007798	-279.6222583979403	-283.54001500522645	-296.6002612724272	-309.662189049356	-335.7913733202964	-361.92813619383105											-278.88182180275646	-279.5320353856897	-279.6222583979403	-279.68902794156895	-279.741960030629						-297.4354981820553	-285.5600049926453	-279.6222583979403	-273.6845118032353	-267.74676520852984						-264.2187130446764	-2236.0500010512683	-258.6996213513139	-276.51286113542903	-279.90042344249025	-279.8336550521914	-279.09323124678633	1081.7777166438768	-264.2187130446764	-2355.6317343796427	-2355.6317343796427	-259.769558589292	-2239.9915080006813		2.8328591522813777	-0.1770536970175861	-2243.00142084998						-2242.539555128406	0.3577679698568697	23.547801984945846	-2250.3706609067344	-2239.9915080006813			-3282.8
350. ATP26: Mg2ATP	ATP26: Mg2ATP	Mg2ATP	10H12N5O13P3Mg2	379	350	Mg2ATP	389				10	12	5	13	3	0	2	0		-14	26	70	551.68		£	-		-	-	-3714.6	-	-	-		-	-	-	-3729.52	-		-3729.33	-	-	-	-	£		-	-4519.51	-4514.6	-	-		-4519.51	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3714.6	-3714.6	O	0				ATP26: Mg2ATP	-4514.6	O	-278.4736816270985	-278.5975071586014		-3186.6798138036315				-2294.079813803632		0								-4.343081346186693	0.17343033671705957			-278.4736816270985	-278.4736816270985		-278.4736816270985	1784.4606552795776		-3682.4014422270666	941.5046885548197	1204.1146737200552	1477.0440221084098	1783.5307031616358	2115.9480334407253	2456.4401191937345	2813.69369064131	-3682.4014422270666	-3183.6307282718426	-3183.6307282718426	-2238.3460565184705	-260.78426737448626	-278.5975071586014	1101.1131523447466	1101.1131523447466	2136.105706141321	471.4005676468612	1783.5307031616358	-3714.6	-250.23459557409774	-278.5975071586014	1089.4505394162675	-2274.0856459664324							350. ATP26: Mg2ATP	-3714.6	O	-2479.5739880577016	-2411.0778740272785	-2342.5817599968555	-2274.0856459664324	-0.8775447696435577	-2205.5895319360093	-2137.093417905586	-2068.597303875163	-2274.085645966433	-2205.5895319360097	-2068.597303875163	-2137.0934179055866	-2411.077874027279	-2342.581759996856	-2274.085645966433	-2205.5895319360097	-2137.0934179055866	-2274.0798138036316	-2207.89987920328	-2221.106332338268	-2283.806261995952	-2207.89987920328	-2221.1435891094243		-2290.279144771827	-245.37654593247953	-262.5005744400853	-262.5005744400853	-262.5876729303145	-262.5876729303145							-278.50690311116034	-278.5975071586014			-249.2615314461095	-29.212150180988964	-112.34060250685948	-195.46905483273045	-278.5975071586014	-361.7259594844719	-444.8544118103424	-527.9828641362134								-229.23385162138396	-242.57538014495572	-255.91690866852886	-262.5876729303145	-269.25843719210064	-278.5975071586014	-282.5999657156731	-295.9414942392453	-309.2830227628177	-335.966079809964	-362.6491368571085											-278.5975071586014	-278.5975071586014	-278.5975071586014	-278.5975071586014	-278.5975071586014						-314.22398672683187	-290.47300034801185	-278.5975071586014	-266.7220139691914	-254.8465207797814						-262.79090274084956	-2231.465069554852	-254.11468985489773	-271.92792963901286	-278.80891660263126	-278.80891660263126	-278.80891660263126	1083.2055269477037	-262.79090274084956	-2355.6317343796427	-2355.6317343796427	-259.769558589292	-2232.82686222622		3.5410739403517226	0	-2236.367936166572					-2250.2928406219685	-2242.539555128406	0.01987969983057428	23.547801984945846	-2250.3706609067344	-2250.2928406219685			-3714.6
351. ATP27: atp-blend [H,O]	ATP27: atp-blend [H,O]	atp-reactant [H,O]		380	351	atp-reactant [H,O]	390				10	?	5	13	3	0	0	?							£	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	£		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	O	0				ATP27: atp-reactant [H,O]	-	O																					-290.96346828113514		-290.96346828113514		-290.96346828113514	1771.970868625541		-2819.980714571792	903.1702049877631	1177.5442527207117	1460.8948781033575	1771.0866143255066	2103.8244149538564	2444.3432833640427	2801.5992722727087	-2819.980714571792	-2241.1959979096287	-2250.7901453545996	-2250.7901453545996	-273.2283562106154	-291.0415959947305	1088.6690635086175	1088.6690635086175	2123.6616173051916	458.95647881073205	1771.0866143255066	-2851.000000243541	-271.2103401118828	-291.0415959947305	1077.0064505801383	-2295.0613905042173		-2293.7	925.8173349105343	0.5491787424955425	-925.2681561680388		351. ATP27: atp-reactant [H,O]	-	O	-2523.2722392340033	-2443.5321769666884	-2365.8651492317113	-2295.0613905042173	-0.8732219236117202	-2226.387968893707	-2157.875675971325	-2089.377960931697	-2295.061390504218	-2226.3879688937072	-2089.377960931697	-2157.8756759713256	-2443.6790576674025	-2366.00247012008	-2295.1889356721517	-2226.5146896320166	-2158.0023268870764	-2295.05096809165	-2228.9929352550034	-2242.2048483987624	-2304.8612033091076				-2304.8612033091076	-259.9586044697602	-277.08263297736596	-275.39138375581155	-275.47848224604076	-276.41727309646166							-290.9509919472895	-291.0415959947305			-223.4168345330897	-67.54663374804542	-138.91102350620304	-211.61819883778273	-291.0415959947305	-373.84957797134086	-456.9512476400343	-540.0772825048145								-243.19932044820968	-256.0868728568481	-269.00679945951094	-275.47848224604076	-281.9578186332159	-291.0415959947305	-294.9391498019887	-307.9504454577683	-320.9917201013536	-347.1656792041263	-373.46602662535093											-281.44744854975954	-289.70298219792625	-291.0415959947305	-292.047993758721	-292.8536718776241						-291.0415959947305	-291.0415959947305	-291.0415959947305	-291.0415959947305	-291.0415959947305													1069.3761240893482		-2365.8650138788594	-2365.8650138788594	-288.6244812246352										-2250.2928406219685					-2250.2928406219685	0.001		-
352. ATP28: atp-omniblend [HMg, O]	ATP28: atp-omniblend [HMg, O]	atp-omnireactant [HMg, O]		381	352	atp-omnireactant [HMg, O]	391				10	?	5	13	3	0	?	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	O	0				ATP28: atp-omnireactant [HMg, O]	-	O																					-291.01701448851225		-291.01701448851225		-291.01701448851225	1771.917322418164		-3682.4014422270666	903.1692509560394	1177.5340322433367	1460.8179898728297	1770.9873703002218	2103.7363707408967	2444.2565768072136	2801.512690436053	-3682.4014422270666	-3183.6307282718426	-3183.6307282718426	-2250.889389379884	-273.32760023590004	-291.14084002001516	1088.5698194833326	1088.5698194833326	2123.5623732799068	458.8572347854472	1770.9873703002218	-3714.6	-271.2225647278516	-291.14084002001516	1076.907206554854	-2295.0736151201863		-2297.9		-1.1401508158723899			352. ATP28: atp-omnireactant [HMg, O]	-	O	-2523.272505138505	-2443.534741809497	-2365.87893373632	-2295.0736151201863	-0.8731992679575672	-2226.3986590437685	-2157.8861903978695	-2089.388457562622	-2295.073615120187	-2226.398659043769	-2089.388457562622	-2157.88619039787	-2443.6816121149623	-2366.0162377502097	-2295.2011666086264	-2226.5253806054034	-2158.0128413978828	-2295.0632037817645	-2229.0045869192695	-2242.216547566752	-2304.873976855556				-2304.9129512830787	-260.0103524437313	-277.13438095133705	-275.4812814025138	-275.568379892743	-276.48344449705803							-291.0502359725741	-291.14084002001516			-223.46942670874307	-67.54758777976916	-138.9212439835782	-211.69508706831058	-291.14084002001516	-373.9376221843003	-457.0379541968631	-540.1638643414701								-243.2692606053593	-256.16479663142536	-269.09272439598374	-275.568379892743	-282.05165042192016	-291.14084002001516	-295.0406690092963	-308.0592937830928	-321.1073879315427	-347.2928103095468	-373.6006381678942											-283.19548597044917	-289.8563955262221	-291.14084002001516	-292.11943273995956	-292.90856568862324						-314.233913718453	-292.96291152909544	-291.14084002001516	-291.0494565784775	-291.0423022458871													1069.3099484237146		-2365.878798996625	-2365.878798996625	-288.63670668094466															-2250.3706609067344			-
353. ATP30	ATP30			382	353		392																0																																																		0				ATP30																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												353. ATP30																																											0
354. ATP31: H4ATP -species	ATP31: H4ATP -species	H4ATP -species	C10H16N5O13P3	383	354	H4ATP -species	393				10	16	5	13	3	0	0	0		-10	30	70	507.05999999999995	-2877.5	£	-		-	-	-2851	-	-	-		-	-	-	-2838.18	-		-2838.18	-	-	-	-	£		-	-3627.91	-3621.7	-	-		-3627.91	-	-	-	-	-	-	-	-	-	-	388.7	-	-	0.001	-17.813239784115144	-2877.5	-2877.5	E	0				ATP31: H4ATP -species	-3621.7	E<OX	-222.6472981333915																					-222.6472981333915	-222.6472981333915		-222.6472981333915	1840.2870387732846		-2847.547291631729	926.0781129120658	1212.4390844561217	1509.1194192232963	1839.3570866553428	2195.525403313253	2559.7684754450815	2940.7730332714777	-2847.547291631729	-2182.5196730247635	-2182.5196730247635	-2182.5196730247635	-204.95788388077926	-222.77112366489442	1156.9395358384534	1156.9395358384534	2191.9320896350278	527.226951140568	1839.3570866553428	-2877.5	-201.39708627940104			-2225.2481366717357							354. ATP31: H4ATP -species	-2877.5	E	-2499.232592793428	-2407.904440752864	-2316.5762887122996	-2225.2481366717357	-0.8999449569402174	-2133.9199846311712	-2042.5918325906073	-1951.263680550043			-1951.263680550043																														-222.6472981333915															-184.97050597796573	-195.18688913659457	-205.40327229522435	-210.51146387453855	-215.61965545385365	-222.77112366489442	-225.8360386124832	-236.0524217711125	-246.2688049297416	-266.70157124700205	-287.1343375642605
387. Ca	Ca			420	387																		0																																																		0				Ca																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												387. Ca																																											0
388. Ca (cr)	Ca (cr)	Ca (cr)	Ca	421	388	Ca (cr)	434				0	0	0	0	0	0	0	0	Ca	0	0	0	0		£	0		-	-	-	-	-	-		-	-	0	0	0		-	-	-	0	0	£		0	0	-	0	-		-	-	-	-	5.002	-	-	41.588942016002505	41.588942016002505	41.42	-	41.59	-	-	1	0	0	0	GZ	0				Ca (cr)	0	GZ	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							388. Ca (cr)	0	GZ	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	0	0	0	0	0		0	0	0													0
389. Ca(OH)2 (ai)	Ca(OH)2 (ai)	Ca(OH)2 (ai)	CaO2H2	422	389	Ca(OH)2 (ai)	438				0	2	0	2	0	0	0	0	Ca	-2	-2	-2	34	-	£	-868.07		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-1002.82	£		-	-	-	-	-		-	-	-	-118.6	10.029	-910.8291731801864	-986.0952665129741	83.38574559745884	-252.44371401236867	-74.5	-	-	-	-	0.001	-17.813239784115144	-868.07	-868.07	Z	0				Ca(OH)2 (ai)	-1002.82	Z	-493.07201754867566	-493.09106763044537	-493.09106763044537	-786.5367922657864	-786.5367922657864		-100	-786.5367922657864	-786.5367922657864	0	-805.2818954721122											-493.07201754867566	-493.07201754867566		-493.07201754867566	-493.07201754867566		-862.6465554251216	-457.4645880622151	-469.3400812516252	-481.21557444103524	-493.09106763044537	-504.9665608198555	-516.8420540092657	-528.7175471986757	-862.6465554251216	-779.5181030992509	-779.5181030992509	-779.5181030992509	-475.27782784633024	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-868.07	-475.17681702360784	-493.09106763044537	-493.09106763044537	-786.538517083967		-				-	389. Ca(OH)2 (ai)	-868.07	Z	-820.7865740991786	-809.370555094108	-797.9545360890376	-786.538517083967	-0.3731114156027559	-775.1224980788965	-763.7064790738259	-752.2904600687555	-786.538517083967	-775.1224980788966	-752.2904600687555	-763.706479073826	-809.3705550941081	-797.9545360890376	-786.538517083967	-775.1224980788966	-763.706479073826	-786.5367922657864	-775.6118716077519	-777.7978563583463	-788.1578669645064	-775.6118716077519	-777.7978563583463	-788.1578669645064	-788.1578669645064	-473.5574671430684	-490.68149565067415	-490.68149565067415	-490.6948954184017	-490.6948954184017	-788.1578669645064	-473.5574671430684	-490.68149565067415	-490.68149565067415	-490.6948954184017	-490.6948954184017	-493.07712854622366	-493.09106763044537	-493.07712854622366	-493.09106763044537	-35.607429486460546	-457.4645880622151	-469.3400812516252	-481.21557444103524	-493.09106763044537	-504.9665608198555	-516.8420540092657	-528.7175471986757	-457.4645880622151	-469.3400812516252	-481.21557444103524	-493.09106763044537	-504.9665608198555	-516.8420540092657	-528.7175471986757	-485.7028699766442	-487.69968015334723	-489.6964903300503	-490.6948954184017	-491.69330050675325	-493.09106763044537	-493.69011068345634	-495.6869208601593	-497.68373103686235	-501.6773513902686	-505.6709717436746	-485.7028699766442	-487.69968015334723	-489.69649033005027	-490.6948954184017	-491.69330050675325	-493.09106763044537	-493.69011068345634	-495.6869208601593	-497.68373103686235	-501.6773513902686	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-493.09106763044537	-490.7261615430994	-779.5181030992509	-475.31035237618096	-493.1235921602961	-493.1235921602961	-493.1235921602961	-493.1235921602961	-490.7261615430994	-490.7261615430994	-797.9545360890376	-797.9545360890376	-475.22148291603304	-780.6448688955835		0.3541073940351722	0	-780.9989762896187	0	5.795140876223479E136	5.795140876223479E136	-780.6448688955835	-780.6448688955835								-868.07
390. Ca2+ (aq)	Ca2+ (aq)	Ca2+ (aq)	Ca 2+	423	390	Ca2+ (aq)	435				0	0	0	0	0	0	0	2	Ca	-2	-2	-2	0	-	£	-553.58		-	-553.6	-	-	-	-		-	-	-	-552.8	-552.8		-	-	-	-542.8	-542.83	£		-543	-543	-	-	-		-	-	-	-	-	-	-	-	-	-53.1	-	-56.2	-	-	0.001	-17.813239784115144	-552.8	-552.8	C	0				Ca2+ (aq)	-543	C	-573.9694184975689	-573.9694184975689	-573.9694184975689	-556.0387557050567	-556.0387557050567		-100	-556.0387557050567	-556.0387557050567	-3.238755705056737	-573.1627842126625											-573.9694184975689	-573.9694184975689		-573.9694184975689	-573.9694184975689		-553.1944323327184	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-553.1944323327184	-553.1944323327184	-556.1561787134538	-556.1561787134538	-556.1561787134538	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-552.8	-556.0387557050567	-573.9694184975689	-573.9694184975689	-556.0387557050567		-				-	390. Ca2+ (aq)	-552.8	C	-556.0387557050567	-556.0387557050567	-556.0387557050567	-556.0387557050567	0.03224714574036501	-556.0387557050567	-556.0387557050567	-556.0387557050567	-556.0387557050567	-556.0387557050567	-556.0387557050567	-556.0387557050567	-556.0386997610788	-556.0386997610788	-556.0386997610788	-556.0386997610788	-556.0386997610788	-556.0387557050567	-556.785681795688	-556.6349852442079	-556.0387557050567	-556.7856214662683	-556.6349258145276	-556.0387557050567	-556.0387557050567	-556.0387557050567	-573.1627842126625	-572.7120609065568	-572.7120609065568	-572.9634742647175	-556.0387557050567	-556.0387557050567	-573.1627842126625	-572.7120609065568	-572.7120609065568	-572.9634742647175	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	0	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-570.1198183728349	-571.1524878973324	-572.1907467091693	-572.7120609065568	-573.2348789962391	-573.9694184975689	-574.285168946436	-575.3419007476537	-576.4053585877858	-578.55358913637	-580.7321340953395	-570.1198183728349	-571.1524878973324	-572.1907467091693	-572.7120609065568	-573.2348789962391	-573.9694184975689	-574.285168946436	-575.3419007476537	-576.4053585877858	-578.55358913637	-571.0076721168335	-573.6085264485661	-573.9694184975689	-574.2364966720842	-574.448225028323	-571.0076721168335	-573.6085264485661	-573.9694184975689	-574.2364966720842	-574.448225028323	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-573.9694184975689	-572.9634217634789	-556.6349258145276	-556.6349258145276	-574.4481655986427	-574.23644089965	-573.9693673384544	-571.0076721168335	-572.9634217634789	-572.9634217634789	-556.0386997610788	-556.0386997610788	-556.0386997610788	-553.9026471207887		-0.7082147880703444	-0.7082147880703444	-553.9026471207887													-552.8
391. Ca2+ (aq)	Ca2+ (aq)	Ca2+ (aq)	Ca 2+	424	391	Ca2+ (aq)	436				0	0	0	0	0	0	0	2	Ca	-2	-2	-2	0	-	£	-553.58		-	-553.6	-	-	-	-		-	-	-	-552.8	-552.8		-	-	-	-542.8	-542.83	£		-543	-543	-	-	-		-	-	-	-	-	-	-	-	-	-53.1	-	-	-	-	0.001	-17.813239784115144	-553.58	-553.58	Z	0				Ca2+ (aq)	-542.83	Z	-574.7876542849242	-574.7876542849242	-574.7876542849242	-556.8187557050568	-556.8187557050568		-100	-556.8187557050568	-556.8187557050568	-3.238755705056737	-573.9427842126626											-574.7876542849242	-574.7876542849242		-574.7876542849242	-574.7876542849242		-554.0126681200737	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-554.0126681200737	-554.0126681200737	-556.9744145008091	-556.9744145008091	-556.9744145008091	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-553.58	-556.8187557050568	-574.7876542849242	-574.7876542849242	-556.8187557050568		-				-	391. Ca2+ (aq)	-553.58	Z	-556.8187557050568	-556.8187557050568	-556.8187557050568	-556.8187557050568	0.03227064174071288	-556.8187557050568	-556.8187557050568	-556.8187557050568	-556.8187557050568	-556.8187557050568	-556.8187557050568	-556.8187557050568	-556.8186997610788	-556.8186997610788	-556.8186997610788	-556.8186997610788	-556.8186997610788	-556.8187557050568	-557.6134765298824	-557.4532210315632	-556.8187557050568	-557.6134162004627	-557.4531616018829	-556.8187557050568	-556.8187557050568	-556.8187557050568	-573.9427842126626	-573.4920609065568	-573.4920609065568	-573.7434742647176	-556.8187557050568	-556.8187557050568	-573.9427842126626	-573.4920609065568	-573.4920609065568	-573.7434742647176	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	0	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-570.8201604825114	-571.8846931631384	-572.9548151311046	-573.4920609065568	-574.0308105743039	-574.7876542849242	-575.1129636806304	-576.2015586379773	-577.2968796342391	-579.5088364950823	-581.7511077663106	-570.8201604825114	-571.8846931631384	-572.9548151311046	-573.4920609065568	-574.0308105743039	-574.7876542849242	-575.1129636806304	-576.2015586379773	-577.2968796342391	-579.5088364950823	-571.8259079041889	-574.4267622359214	-574.7876542849242	-575.0547324594395	-575.2664608156783	-571.8259079041889	-574.4267622359214	-574.7876542849242	-575.0547324594395	-575.2664608156783	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-574.7876542849242	-573.743421763479	-557.4531616018829	-557.4531616018829	-575.266401385998	-575.0546766870053	-574.7876031258097	-571.8259079041889	-573.743421763479	-573.743421763479	-556.8186997610788	-556.8186997610788	-556.8186997610788	-554.7208829081441		-0.7082147880703444	-0.7082147880703444	-554.7208829081441	-554.7208829081441	1	1	-554.7208829081441	-554.7208829081441								-553.58
392. CAPROATE	CAPROATE			425	392		439																0																																																		0				CAPROATE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												392. CAPROATE																																											0
393. Caproate-	Caproate-	caproate-	C6H11O2 -	426	393	caproate-	440		54467-93-5		6	11	0	2	0	0	0	-1		8	32	32	115.06		£	-		[-335.96]	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	£		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-335.96	-335.96	T-estimated	-338.0672	-80.8	2.1072000000000344		Caproate-	-419.95	*1.25 X	410.33258283186603	410.31353275009633	444.21217437344023	111.66295361191078	111.66295361191078		-100	111.66295361191081	111.66295361191081	-0.8096889262641842	85.6230142613449											410.33258283186603	410.33258283186603		410.33258283186603	1031.3925971843114		-332.57955391581413	448.3087805944185	633.1368402745461	823.6783376384653	1031.309065028041	1249.3602211643424	1470.5135705035996	1701.5132020687856	-332.57955391581413	124.62693387647465	123.8864972812908	123.8864972812908	428.12677253421145	410.31353275009633	410.31353275009633	410.31353275009633	1031.309065028041	1031.309065028041	1031.309065028041	-335.96	423.01516717227673	444.21217437344023	444.21217437344023	111.65346711191756							393. Caproate-	-335.96	T-estimated	-76.71084647174592	-13.922741943858112	48.865362584029754	111.65346711191756	2.67505455446863	174.4415716398055	237.22967616769336	300.0177806955811	111.6534671119174	174.44157163980526	300.0177806955811	237.22967616769313	-13.9227279578638	48.86537657002407	111.65348109791188	174.44158562579975	237.2296901536876	111.66295361191078	180.99922399454044	167.12679434692143	102.74704276895068	180.99923907689538	167.1268092043415	102.74704276895068	102.74704276895068	417.3474425903887	400.22341408278294	400.3360949093094	400.3226951415818	400.2598418020416	102.74704276895068	417.3474425903887	400.22341408278294	400.3360949093094	400.3226951415818	400.2598418020416	444.22611345766194	444.21217437344023	444.22611345766194	444.21217437344023	90.8130869472318	319.51949588463424	361.0837220475696	402.6479482105049	444.21217437344023	485.77640053637566	527.340626699311	568.9048528622463	319.51949588463424	361.0837220475696	402.6479482105049	444.21217437344023	485.77640053637566	527.340626699311	568.9048528622463	308.80602071143505	345.41374735574163	382.0200766782133	400.3226951415818	418.62493763187666	444.24742857434586	455.2282591697583	491.8299702448849	528.4299998102825	601.6247302239983	674.8118820351177	308.8794669633217	345.45781510687357	382.0347659285906	400.3226951415818	418.6102483814994	444.21217437344023	455.18419141862637	491.75652399299827	528.3271750576413	601.4631484698475	444.95261096862407	444.30239738569094	444.21217437344023	444.1454048298114	444.0924727407517	444.95261096862407	444.30239738569094	444.21217437344023	444.1454048298114	444.0924727407517	444.21217437344023	444.21217437344023	444.21217437344023	444.21217437344023	444.21217437344023	444.21217437344023	444.21217437344023	444.21217437344023	444.21217437344023	444.21217437344023	400.2285888026536	157.66545212936626	461.8732028524362	444.05996306832105	444.11289424306926	444.17966263336814	444.92008643877335	400.2285888026536	400.2285888026536	48.86537657002407	48.86537657002407	422.97051526584585	118.2526682996282		1.7705369701758613	-0.1770536970175861	116.30507763243475													-335.96
394. CARBON	CARBON			416	394		429																0																																																		0				CARBON																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												394. CARBON																																											0
395. Carbon 1: graphite species	Carbon 1: graphite species	C graphite species	C	417	395	C graphite species	430				1	0	0	0	0	0	0	0		0	4	4	12.01	-	-	0		-	-	-	0	-	-		-	-	0	0	0		-	-	0	0	0	£		0	0	-	0	-		-	-	-	-	0.69	-	-	5.736979206525735	0	-	5.74	5.74	-	-	1	0	0	0	GTZM0	0				Carbon 1: graphite species	0	Z	0	0	0	0	0			0	0	0	0											0	0		0	103.51000239207424		0	27.1146543888547	50.991959975053405	75.8215051752174	103.49925537965744	132.91374370855178	162.84526423793875	194.41783180498052	0	0	0	0	0	0	0	0	103.49925537965744	103.49925537965744	103.49925537965744	0	0	0	0	0		-				-	395. Carbon 1: graphite species	0	GTZM0	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	0	0	0	0	0		0	0	0													0
396. Carbon 2: diamond	Carbon 2: diamond	C diamond	C	418	396	C diamond	431				1	0	0	0	0	0	0	0		0	4	4	12.01		£	2.9		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	1.895	£		-	-	-	-	-		-	0.444	1.857696	-	-	-	-	-	-	2.377	-	-	-	-	1	0	2.9	2.9	Z	0				Carbon 2: diamond	1.895	Z	2.940449438202247	2.940449438202247	2.940449438202247	2.9	2.9		-100	2.9	2.9	0	2.9											2.940449438202247	2.940449438202247		2.940449438202247	106.45045183027649		2.940449438202247	30.055103827056946	53.932409413255655	78.76195461341965	106.43970481785969	135.85419314675403	165.785713676141	197.35828124318277	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	106.43970481785969	106.43970481785969	106.43970481785969	2.9	2.9	2.940449438202247	2.940449438202247	2.9							396. Carbon 2: diamond	2.9	Z	2.9	2.9	2.9	2.9	0.013948082138705901	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.950561797752809	2.940449438202247	2.9	2.950561797752809	2.940449438202247	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.9	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	0	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.8157303370786515	2.849438202247191	2.8831460674157303	2.9	2.9168539325842695	2.940449438202247	2.950561797752809	2.9842696629213483	3.017977528089887	3.0853932584269663	3.1528089887640447	2.8157303370786515	2.849438202247191	2.8831460674157303	2.9	2.9168539325842695	2.940449438202247	2.950561797752809	2.9842696629213483	3.017977528089887	3.0853932584269663	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.9	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.940449438202247	2.9	2.9	2.9	2.9	2.9	2.940449438202247		0	0	2.940449438202247													2.9
397. Carbon 3: C (g)	Carbon 3: C (g)	C (g)	C	419	397	C (g)	432				1	0	0	0	0	0	0	0		0	4	4	12.01		£	671.257		-	-	-	-	-	-		-	-	669.578	-	671.254		-	-	-	716.68	716.682	£		716.68	-	-	715.00376	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	671.257	671.257	Z	0				Carbon 3: C (g)	716.682	Z	651.6154858573404	651.6154858573404	651.6154858573404	671.257	671.257		-100	671.257	671.257	0	654.1329714923942											651.6154858573404	651.6154858573404		651.6154858573404	755.1254882494147		669.4287256414556	678.7301402461951	702.6074458323939	727.4369910325579	755.1147412369979	784.5292295658923	814.4607500952792	846.033317662321	669.4287256414556	669.4287256414556	669.4287256414556	669.4287256414556	669.4287256414556	651.6154858573404	651.6154858573404	651.6154858573404	755.1147412369979	755.1147412369979	755.1147412369979	671.257	671.257	651.6154858573404	651.6154858573404	671.257							397. Carbon 3: C (g)	671.257	Z	671.257	671.257	671.257	671.257	-0.029260796003109844	671.257	671.257	671.257	671.257	671.257	671.257	671.257	671.257	671.257	671.257	671.257	671.257	671.257	668.9716570518194	669.4287256414556	671.257	668.9716570518194	669.4287256414556	671.257	671.257	671.257	654.1329714923942	654.1329714923942	654.1329714923942	654.1329714923942	671.257	671.257	654.1329714923942	654.1329714923942	654.1329714923942	654.1329714923942	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	0	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	659.3777332320894	657.2798285362113	655.1819238403332	654.1329714923942	653.0840191444552	651.6154858573404	650.9861144485769	648.8882097526989	646.7903050568208	642.5944956650646	638.3986862733084	659.3777332320894	657.2798285362113	655.1819238403332	654.1329714923942	653.0840191444552	651.6154858573404	650.9861144485769	648.8882097526989	646.7903050568208	642.5944956650646	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	654.1329714923942	669.4287256414556	669.4287256414556	651.6154858573404	651.6154858573404	651.6154858573404	651.6154858573404	654.1329714923942	654.1329714923942	671.257	671.257	671.257	669.4287256414556		0	0	669.4287256414556													671.257
398. CARBON DIOXIDE (CO2)	CARBON DIOXIDE (CO2)			487	398		517																0																																																		0				CARBON DIOXIDE (CO2)																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												398. CARBON DIOXIDE (CO2)																																											0
399. carbon dioxide11: H2CO3 species	carbon dioxide11: H2CO3 species	H2CO3 species	CH2O3	488	399	H2CO3 species	518				1	2	0	3	0	0	0	0		-4	0	0	62.01	-	-148.94	-623.08	-623.1649600000001	-623.16	-	-	-	-	-		-	-	-	-	-		-623.11	-	-	-	-699.65	-167.22	-699.6484800000001	-	-	-	-	-		-699.63	-	-	-	-	-	-	-	-	187.4	-	-	-	-	0.001	-17.813239784115144	-623.11	-623.11	A	-622.9976	-148.9	-0.11239999999997963		carbon dioxide11: H2CO3 species	-699.63	A	-98.3260074052279	-98.3545825278824	-98.35458252788239	-541.5767922657864	-541.5767922657864		-100	-541.5767922657864	-541.5767922657864	0	-560.3218954721121	-95.88242972699861	2.443577678229289	2.579483968521125	19.257081392070592							-98.3260074052279	-98.3260074052279		-98.3260074052279	5.1839949868463435		-620.030207949019	0.013030997432810665	0.13935020481138594	1.2179090261552403	5.1446728517750415	10.808174801849134	16.988708952415863	24.810290140637505	-620.030207949019	-536.9017556231482	-536.9017556231482	-536.9017556231482	-80.54134274376725	-98.3545825278824	-98.3545825278824	-98.3545825278824	5.1446728517750415	5.1446728517750415	5.1446728517750415	-623.11	-74.53596699342825	-98.3545825278824	-98.3545825278824	-541.578517083967		-				-	399. carbon dioxide11: H2CO3 species	-623.11	A	-575.8265740991785	-564.410555094108	-552.9945360890375	-541.578517083967	-0.8184455174945884	-530.1624980788964	-518.7464790738259	-507.33046006875543	-541.578517083967	-530.1624980788965	-507.33046006875543	-518.746479073826	-564.4105550941081	-552.9945360890375	-541.578517083967	-530.1624980788965	-518.746479073826	-541.5767922657864	-533.5814372626237	-535.1815088822436	-543.1978669645064	-533.5814372626237	-535.1815088822436	-543.1978669645064	-543.1978669645064	-71.29726723234933	-88.4212957399551	-88.4212957399551	-88.4413953915464	-88.4413953915464	-543.1978669645064	-71.29726723234933	-88.4212957399551	-88.4212957399551	-88.4413953915464	-88.4413953915464	-98.33367390154987	-98.3545825278824	-98.33367390154986	-98.35458252788239	-71.224384013806	-27.10162339142189	-50.85260977024202	-74.60359614906216	-98.3545825278824	-122.10556890670264	-145.8565552855229	-169.60754166434302	-27.101623391421885	-50.85260977024201	-74.60359614906214	-98.35458252788239	-122.10556890670263	-145.8565552855229	-169.60754166434302	-67.78892219084673	-76.04991147112658	-84.31090075140659	-88.4413953915464	-92.57189003168644	-98.3545825278824	-100.83287931196651	-109.0938685922463	-117.35485787252614	-133.87683643308645	-150.39881499364608	-67.78892219084673	-76.04991147112656	-84.31090075140659	-88.4413953915464	-92.57189003168644	-98.35458252788239	-100.83287931196651	-109.0938685922463	-117.35485787252614	-133.87683643308645	-98.3545825278824	-98.3545825278824	-98.3545825278824	-98.3545825278824	-98.3545825278824	-98.35458252788239	-98.35458252788239	-98.35458252788239	-98.35458252788239	-98.35458252788239	-98.3545825278824	-98.3545825278824	-98.3545825278824	-98.3545825278824	-98.3545825278824	-98.35458252788239	-98.35458252788239	-98.35458252788239	-98.35458252788239	-98.35458252788239	-88.48829457859301	-536.9017556231482	-80.59012953854335	-98.40336932265849	-98.40336932265849	-98.40336932265849	-98.40336932265849	-88.48829457859301	-88.48829457859301	-552.9945360890375	-552.9945360890375	-74.60296583206605	-538.0285214194809		0.3541073940351722	0	-538.382628813516											0.001		-623.11
400. carbon dioxide12: HCO3- species	carbon dioxide12: HCO3- species	HCO3- species	CHO3 -	489	400	HCO3- species	519				1	1	0	3	0	0	0	-1		-4	0	0	61.01	-	-140.26	-586.77	-586.84784	-586.85	-586.8	-	-586.93	-	-140.29	-586.97336	-	-	-	-	-586.8452338		-586.77	-	-689.93	-692	-691.99	-165.39	-691.99176	-689.93	-	-	-	-	-	-691.99	-	-	-	-	-	-	-	-	91.2	98.4	-	-	-	0.001	-17.813239784115144	-586.77	-586.77	A	-586.5968	-140.2	-0.17319999999995161		carbon dioxide12: HCO3- species	-691.99	A	-103.13554690324307	-103.16412202589757	-103.16412202589756	-546.8130850591573	-546.8130850591573		-100	-546.8130850591574	-546.8130850591574	-0.8096889262641842	-564.7476509161231		7.253117176244459	16.65431971268943								-103.13554690324307	-103.13554690324307		-103.13554690324307	0.37445548883117397		-582.5350846889149	13.01673128353288	7.205303896206338	2.346116122845075	0.33513335375987197	0.06088870912896027	0.3036762649906848	2.18751085850721	-582.5350846889149	-540.9708585259796	-541.7112951211634	-541.7112951211634	-85.35088224178241	-103.16412202589757	-103.16412202589757	-103.16412202589757	0.33513335375987197	0.33513335375987197	0.33513335375987197	-586.77	-79.77139737770881	-103.16412202589757	-103.16412202589757	-546.8139474682475		Cannot estimate				-	400. carbon dioxide12: HCO3- species	-586.77	A	-563.9379759758534	-558.2299664733181	-552.5219569707829	-546.8139474682475	-0.8113882292491599	-541.1059379657123	-535.3979284631771	-529.6899189606418	-546.8139474682476	-541.1059379657123	-529.6899189606418	-535.3979284631771	-558.2299524873237	-552.5219429847884	-546.8139334822532	-541.1059239797179	-535.3979144771827	-546.8130850591573	-539.5101048692662	-540.9708733833997	-547.6236224085173	-539.5100897869113	-540.9708585259796	-547.6236224085173	-547.6236224085173	-75.7230226763603	-92.84705118396607	-92.73437035743973	-92.75447000903102	-92.81732334857122	-547.6236224085173	-75.7230226763603	-92.84705118396607	-92.73437035743973	-92.75447000903102	-92.81732334857122	-103.14321339956504	-103.16412202589757	-103.14321339956503	-103.16412202589756	-89.03762379792124	-14.097923105321819	-43.78665607884707	-73.47538905237232	-103.16412202589757	-132.85285499942282	-162.54158797294807	-192.2303209464733	-14.097923105321815	-43.78665607884706	-73.47538905237231	-103.16412202589756	-132.85285499942282	-162.54158797294807	-192.2303209464733	-71.07450808578085	-79.74543598283306	-88.41776120172037	-92.75447000903102	-97.09155478941561	-103.16412202589757	-105.7668877928927	-114.4438312591251	-123.12245623508599	-140.4850349040883	-157.85519217568637	-71.07450808578085	-79.74543598283304	-88.41776120172037	-92.75447000903102	-97.09155478941561	-103.16412202589756	-105.7668877928927	-114.4438312591251	-123.12245623508599	-140.4850349040883	-102.42368543071373	-103.07389901364687	-103.16412202589757	-103.23089156952645	-103.28382365858616	-102.42368543071372	-103.07389901364685	-103.16412202589756	-103.23089156952643	-103.28382365858614	-103.16412202589757	-103.16412202589757	-103.16412202589757	-103.16412202589757	-103.16412202589757	-103.16412202589756	-103.16412202589756	-103.16412202589756	-103.16412202589756	-103.16412202589756	-92.86420941030815	-541.8309818964318	-85.51935581182693	-103.33259559594207	-103.27966442119397	-103.21289603089498	-102.47247222548982	-92.86420941030815	-92.86420941030815	-552.5219429847884	-552.5219429847884	-79.8383822303523	-541.7112951211634		0	-0.1770536970175861	-541.888348818181											0.001		-586.77
401. carbon dioxide13: CO32-species	carbon dioxide13: CO32-species	CO32-species	CO3 2-	490	401	CO32-species	520				1	0	0	3	0	0	0	-2		-4	0	0	60.01		-126.17	-527.81	-527.8952800000001	-527.9	-527.8	-	-527.98	-	-		-	-	-	-	-527.8997738		-527.81	-	-675.23	-677.1	-677.14	-161.84	-677.13856	-675.23	-	-	-	-		-677.14	-	-	-	-	-	-	-	-	-56.9	-50	-	-	-	0.001	-17.813239784115144	-527.81	-527.81	A	0				carbon dioxide13: CO32-species	-677.14	A	-86.18573487252482	-86.21430999517932	-86.2143099951793	-531.0487557050567	-531.0487557050567		-100	-531.0487557050567	-531.0487557050567	-3.238755705056737	-548.1727842126625		-9.69669485447379	0.023277710860038773								-86.18573487252482	-86.18573487252482		-86.18573487252482	17.324267519549423		-521.7997367097098	47.77978309836625	36.03060911633471	25.23367474826845	17.28494538447812	11.072954145142205	5.377995106298812	1.3240831051103328	-521.7997367097098	-521.7997367097098	-524.7614830904452	-524.7614830904452	-68.40107021106417	-86.21430999517932	-86.21430999517932	-86.21430999517932	17.28494538447812	17.28494538447812	17.28494538447812	-527.81	-64.00620561451797	-86.21430999517932	-86.21430999517932	-531.0487557050567							401. carbon dioxide13: CO32-species	-527.81	A	-531.0487557050567	-531.0487557050567	-531.0487557050567	-531.0487557050567	-0.8377065496404399	-531.0487557050567	-531.0487557050567	-531.0487557050567	-531.0487557050567	-531.0487557050567	-531.0487557050567	-531.0487557050567	-531.0486997610788	-531.0486997610788	-531.0486997610788	-531.0486997610788	-531.0486997610788	-531.0487557050567	-523.7898122669274	-525.2402896211993	-531.0487557050567	-523.7897519375076	-525.240230191519	-531.0487557050567	-531.0487557050567	-59.148155972899644	-76.27218448050542	-75.8214611743997	-75.841560825991	-76.09297418415179	-531.0487557050567	-59.148155972899644	-76.27218448050542	-75.8214611743997	-75.841560825991	-76.09297418415179	-86.19340136884679	-86.21430999517932	-86.19340136884678	-86.2143099951793	-106.85086358203637	20.665128709511556	-14.961350858718696	-50.58783042694895	-86.21430999517932	-121.84078956340957	-157.46726913163994	-193.0937486998702	20.66512870951156	-14.961350858718692	-50.58783042694894	-86.2143099951793	-121.84078956340956	-157.46726913163994	-193.0937486998702	-54.258919171069124	-62.88774834404667	-71.52216680436354	-75.841560825991	-80.16245873991356	-86.21430999517932	-88.80890833859053	-97.4617997882881	-106.12141727690047	-123.46196712244512	-140.83283137837455	-54.25891917106912	-62.88774834404666	-71.52216680436354	-75.841560825991	-80.16245873991356	-86.2143099951793	-88.80890833859053	-97.4617997882881	-106.12141727690047	-123.46196712244512	-83.25256361444397	-85.8534179461765	-86.21430999517932	-86.48138816969461	-86.69311652593345	-83.25256361444396	-85.85341794617649	-86.2143099951793	-86.4813881696946	-86.69311652593343	-86.21430999517932	-86.21430999517932	-86.21430999517932	-86.21430999517932	-86.21430999517932	-86.2143099951793	-86.2143099951793	-86.2143099951793	-86.2143099951793	-86.2143099951793	-76.13982086995975	-525.240230191519	-68.92860410691412	-86.74184389102926	-86.53011919203654	-86.26304563084092	-83.30135040922006	-76.13982086995975	-76.13982086995975	-531.0486997610788	-531.0486997610788	-64.07314850917783	-522.5079514977801		-0.7082147880703444	-0.7082147880703444	-522.5079514977801											0.001		-527.81
402. carbon dioxide14: co2-blend (aq)	carbon dioxide14: co2-blend (aq)	co2-reactant (aq)		491	402	co2-reactant (aq)	521				1	?	0	3	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	£		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				carbon dioxide14: co2-reactant (aq)	-	A						-547.1										-103.51000239207424					-103.51000239207424		-103.51000239207424		-103.51000239207424	0		-620.0302086179904	0	0	0	0	0	0	0	-620.0302086179904	-541.410681030941	-542.0464284749232	-542.0464284749232	-85.68601559554229	-103.49925537965744	-103.49925537965744	-103.49925537965744	0	0	0	-623.1100010660471	-80.05837377837084	-103.49925537965744	-103.49925537965744	-547.1009238689096	1.0000016886655265	-547.8	3.7268451955746256E-4	-0.28200413429613946	-0.28237681881569693	547.8	402. carbon dioxide14: co2-reactant (aq)	-	A	-575.8469768647647	-564.6074013469259	-554.4879669843932	-547.1009238689096	-0.8108027278402546	-541.1777700879726	-535.7960479678012	-532.1796920297032	-547.1009238689096	-541.1777700879726	-532.1796920297032	-535.7960479678012	-564.607400279239	-554.4879606520702	-547.1009113255997	-541.1777555612236	-535.7960278143211	-547.0999698576869	-539.7311049145867	-541.2038187714033	-548.0106865308443	-539.731091021425	-541.2038051516259	-548.0106865308443	-548.0106865308443	-76.11008679868726	-93.23411530629303	-93.13758639601748	-93.15768604760878	-93.21144478104316	-548.0106865308443	-76.11008679868726	-93.23411530629303	-93.13758639601748	-93.15768604760878	-93.21144478104316	-103.47834675332491	-103.49925537965744	-103.4783467533249	-103.49925537965743	-76.39534800321954	-27.1146543888547	-50.991959975053405	-75.8215051752174	-103.49925537965744	-132.91374370855178	-162.84526423793875	-194.41783180498052	-27.114654388854696	-50.99195997505339	-75.82150517521738	-103.49925537965743	-132.91374370855178	-162.84526423793875	-194.41783180498052	-71.66082866967595	-80.25117799781435	-88.85286837721664	-93.15768604760878	-97.46500593832225	-103.49925537965744	-106.0867295580095	-114.71722591199546	-123.35573992445275	-140.6541266738374	-157.97717644134784	-71.66082866967595	-80.25117799781434	-88.85286837721664	-93.15768604760878	-97.46500593832225	-103.49925537965743	-106.0867295580095	-114.71722591199546	-123.35573992445275	-140.6541266738374	-102.86350793567519	-103.42029927876234	-103.49925537965744	-103.55793860143162	-103.60461044317785	-102.86350793567517	-103.42029927876233	-103.49925537965743	-103.5579386014316	-103.60461044317783	-103.49925537965744	-103.49925537965744	-103.49925537965744	-103.49925537965744	-103.49925537965744	-103.49925537965743	-103.49925537965743	-103.49925537965743	-103.49925537965743	-103.49925537965743	-93.25833271948615	-542.1517704196876	-85.84014433508271	-103.65338411919785	-103.6067131195797	-103.5480309539978	-102.91229473045128	-93.25833271948615	-93.25833271948615	-547.1	-547.1	-547.1																0.001		-
403. carbon dioxide15: CO2g-species (g)	carbon dioxide15: CO2g-species (g)	CO2g-species (g)	CO2	492	403	CO2g-species (g)	523		12438-9		1	0	0	2	0	0	0	0		-4	0	0	44.01		-94.258	-394.359	-394.375472	-394.359	-	-	-394.37	-	-94.26	-394.38384	-	-	-394.40476	-394.37	-394.37		-394.36	-	-393.51	-393.51	-393.509	-94.051	-393.509384	-393.51	-393.51	-	-393.521936	-94.052	-393.513568	-393.509	-94.051	-393.509384	-47.33	25.714	-394.39115067755364	-393.5235157171928	213.7980917631924	2.9100619163536123	213.74	213.68	213.785	-	-	0.001	-17.813239784115144	-394.36	-394.36	A	0				carbon dioxide15: CO2g-species (g)	-393.509	A	-107.94816566525574	-107.96721574702545	-110.22894302599694	-394.36	-394.36	-394.36	0	-394.36	-394.36	0	-413.6582473959674											-107.94816566525574	-107.94816566525574		-107.94816566525574	-4.438163273181502		-394.39425121583093	-11.861329500681624	-11.735010293303105	-10.6564514719593	-6.7296876463394995	-1.0661856962653076	5.114348454301421	12.935929642523007	-394.39425121583093	-394.39425121583093	-394.39425121583093	-394.39425121583093	-90.1539759629103	-110.22894302599694	-110.22894302599694	-110.22894302599694	-6.7296876463394995	-6.7296876463394995	-6.7296876463394995	-394.36	-82.99829993964084	-110.22894302599694	-110.22894302599694	-394.36	1	-386	0	3.3723860075706575	3.3723860075706575		403. carbon dioxide15: CO2g-species (g)	-394.36	A	-394.36	-394.36	-394.36	-394.36	-0.726269992734416	-394.36	-394.36	-394.36	-394.36	-394.36	-394.36	-394.36	-394.36	-394.36	-394.36	-394.36	-394.36	-394.36	-394.4028140197887	-394.39425121583093	-394.36	-394.4028140197887	-394.39425121583093	-394.36	-394.36	-79.75960017856198	-99.05784757452936	-99.05784757452936	-99.07124734225691	-99.07124734225691	-394.36	-79.75960017856198	-99.05784757452936	-99.05784757452936	-99.07124734225691	-99.07124734225691	-110.21500394177524	-110.22894302599694	-110.21500394177524	-110.22894302599694	-68.97218177571942	-38.97598388953632	-62.72697026835651	-86.4779566471767	-110.22894302599694	-133.97992940481709	-157.73091578363733	-181.48190216245752	-38.97598388953632	-62.72697026835651	-86.4779566471767	-110.22894302599694	-133.97992940481709	-157.73091578363733	-181.48190216245752	-75.82604800113202	-85.12412773758194	-94.422207474032	-99.07124734225691	-103.72028721048194	-110.22894302599694	-113.01836694693193	-122.31644668338194	-131.61452641983186	-150.2106858927321	-168.806845365632	-75.82604800113201	-85.12412773758194	-94.422207474032	-99.07124734225691	-103.72028721048194	-110.22894302599694	-113.01836694693193	-122.31644668338193	-131.61452641983186	-150.2106858927321	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-110.22894302599694	-99.10251346695462	-394.39425121583093	-90.18650049276101	-110.26146755584766	-110.26146755584766	-110.26146755584766	-110.26146755584766	-99.10251346695462	-99.10251346695462	-394.36	-394.36	-83.04296583206605	-394.39425121583093		0	0	-394.39425121583093													-394.36
404. carbon dioxide20	carbon dioxide20			493	404		524																0																																																		0				carbon dioxide20																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												404. carbon dioxide20																																											0

1000. H YDROGEN	H YDROGEN			1043	1000		1088																0																																																		0				H YDROGEN																														0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1000. H YDROGEN																																											0
1001. H YDRON (PROTON)	H YDRON (PROTON)			1047	1001		1092																0																																																		0				H YDRON (PROTON)																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1001. H YDRON (PROTON)																																											0
1002. H+ pHc=1 M	H+ pHc=1 M	H+	H+	1048	1002	H+	1094				0	1	0	0	0	0	0	1		0	0	0	1		0	0	0	-39.87	0	0	0	0	-		-	-	-	0	0		-	-	0	0	0	0	0	0	0	0	-	-		-285.83	-	-	-	-	-	-	-	-	-	0	0	-	-	1	0	0	0	W	0				H+	0	W	40.823789567751504	40.823789567751504	40.823789567751504	39.95691494084263	39.95691494084263		-100	39.95691494084264	39.95691494084264	-0.8096889262641842	39.14637759148262											40.823789567751504	40.823789567751504		40.823789567751504	40.823789567751504		0	23.01054978363635	28.9482963783414	34.88604297304645	40.823789567751504	46.76153616245655	52.6992827571616	58.63702935186665	0	41.56422616293535	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	0	39.95605253175234	40.823789567751504	40.823789567751504	39.95605253175234							1002. H+	0	W	22.832024024146566	28.540033526681825	34.24804302921708	39.95605253175234	0.021717286393834526	45.6640620342876	51.37207153682286	57.08008103935812	39.95605253175232	45.66406203428758	57.08008103935812	51.37207153682284	28.54004751267629	34.24805701521155	39.956066517746805	45.66407602028207	51.37208552281732	39.95691494084263	41.96625099187755	41.56421130551527	39.14637759148262	41.96626607423248	41.56422616293535	39.14637759148262	39.14637759148262	39.14637759148262	39.14637759148262	39.259058418009054	39.259058418009054	39.19620507846885	39.14637759148262	39.14637759148262	39.14637759148262	39.259058418009054	39.259058418009054	39.19620507846885	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	17.813239784115154	23.01054978363635	28.9482963783414	34.88604297304645	40.823789567751504	46.76153616245655	52.6992827571616	58.63702935186665	23.01054978363635	28.9482963783414	34.88604297304645	40.823789567751504	46.76153616245655	52.6992827571616	58.63702935186665	35.992388744157246	37.30011348594576	38.60644090589947	39.259058418009054	39.9112999570449	40.823789567751504	41.2146195924086	42.51632876501711	43.81635642789692	46.41108303657669	48.998231042660166	35.992388744157246	37.30011348594576	38.60644090589947	39.259058418009054	39.9112999570449	40.823789567751504	41.2146195924086	42.51632876501711	43.81635642789692	46.41108303657669	41.56422616293535	40.91401258000221	40.823789567751504	40.75702002412268	40.70408793506298	41.56422616293535	40.91401258000221	40.823789567751504	40.75702002412268	40.70408793506298	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	39.19621820377852	40.704102792483056	40.704102792483056	40.704102792483056	40.757033967231244	40.82380235753014	41.56422616293535	39.19621820377852	39.19621820377852	34.24805701521155	34.24805701521155	39.956066517746805	40.8237895677515		0	-0.1770536970175861	40.64673587073391											1		0
1003. H+ pHc=1 M	H+ pHc=1 M	H+	H+	1049	1003	H+	1095				0	1	0	0	0	0	0	1		0	0	0	1		0	0	0	-39.87	0	0	0	-	-		-	-	-	0	0		-	-	0	0	0	0	0	0	0	0	-	-		-285.83	-	-	-	-	-	-	-	-	-	-	0	-	-	1	0	0	0	C	0				H+	0	C	40.823789567751504	40.823789567751504	40.823789567751504	39.95691494084263	39.95691494084263		-100	39.95691494084264	39.95691494084264	-0.8096889262641842	39.14637759148262											40.823789567751504	40.823789567751504		40.823789567751504	40.823789567751504		0	23.01054978363635	28.9482963783414	34.88604297304645	40.823789567751504	46.76153616245655	52.6992827571616	58.63702935186665	0	41.56422616293535	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	0	39.95605253175234	40.823789567751504	40.823789567751504	39.95605253175234							1003. H+	0	C	22.832024024146566	28.540033526681825	34.24804302921708	39.95605253175234	0.021717286393834526	45.6640620342876	51.37207153682286	57.08008103935812	39.95605253175232	45.66406203428758	57.08008103935812	51.37207153682284	28.54004751267629	34.24805701521155	39.956066517746805	45.66407602028207	51.37208552281732	39.95691494084263	41.96625099187755	41.56421130551527	39.14637759148262	41.96626607423248	41.56422616293535	39.14637759148262	39.14637759148262	39.14637759148262	39.14637759148262	39.259058418009054	39.259058418009054	39.19620507846885	39.14637759148262	39.14637759148262	39.14637759148262	39.259058418009054	39.259058418009054	39.19620507846885	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	17.813239784115154	23.01054978363635	28.9482963783414	34.88604297304645	40.823789567751504	46.76153616245655	52.6992827571616	58.63702935186665	23.01054978363635	28.9482963783414	34.88604297304645	40.823789567751504	46.76153616245655	52.6992827571616	58.63702935186665	35.992388744157246	37.30011348594576	38.60644090589947	39.259058418009054	39.9112999570449	40.823789567751504	41.2146195924086	42.51632876501711	43.81635642789692	46.41108303657669	48.998231042660166	35.992388744157246	37.30011348594576	38.60644090589947	39.259058418009054	39.9112999570449	40.823789567751504	41.2146195924086	42.51632876501711	43.81635642789692	46.41108303657669	41.56422616293535	40.91401258000221	40.823789567751504	40.75702002412268	40.70408793506298	41.56422616293535	40.91401258000221	40.823789567751504	40.75702002412268	40.70408793506298	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	40.823789567751504	39.19621820377852	40.704102792483056	40.704102792483056	40.704102792483056	40.757033967231244	40.82380235753014	41.56422616293535	39.19621820377852	39.19621820377852	34.24805701521155	34.24805701521155	39.956066517746805	40.8237895677515		0	-0.1770536970175861	40.64673587073391											1		0
1004. H+ pHc=7.0	H+ pHc=7.0	H+	H+	1050	1004	H+	1096				0	1	0	0	0	0	0	1		0	0	0	1		0	0	0	-39.87	0	0	0	-	-		-	-	-	0	0		-	-	0	0	0	0	0	0	0	0	-	-		-285.83	-	-	-	-	-	-	-	-	-	-	0	-	-	1	0	-39.87	-39.87	T	-39.748000000000005	-9.5	-0.12199999999999278		H+	0	<-W	-0.6509060552570493	-0.6509060552570493	-0.6509060552570494	0.08691494084263496	0.08691494084263485		-100	0.08691494084263951	0.08691494084263951	-0.8096889262641842	-0.7236224085173764											-0.6509060552570493	-0.6509060552570493		-0.6509060552570493	-0.6509060552570493		-41.47469562300855	-18.4641458393722	-12.52639924466715	-6.588652649962103	-0.6509060552570493	5.286840539447997	11.224587134153044	17.162333728858098	-41.47469562300855	0.08953053992679827	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-39.87	0.0860525317523465	-0.6509060552570493	-0.6509060552570493	0.0860525317523465							1004. H+	-39.87	T	-17.03797597585343	-11.329966473318175	-5.621956970782915	0.0860525317523465	-8.564054676860803	5.794062034287609	11.502071536822863	17.210081039358126	0.08605253175232519	5.794062034287587	17.210081039358126	11.502071536822841	-11.329952487323707	-5.621942984788449	0.08606651774680596	5.794076020282068	11.502085522817323	0.08691494084263496	0.0903814631168659	0.0895156825067207	-0.7236224085173762	0.09039654547179143	0.08953053992679594	-0.7236224085173764	-0.7236224085173762	-0.7236224085173762	-0.7236224085173762	-0.6109415819909438	-0.6109415819909438	-0.673794921531147	-0.7236224085173764	-0.7236224085173764	-0.7236224085173764	-0.6109415819909438	-0.6109415819909438	-0.6737949215311468	-0.6509060552570493	-0.6509060552570493	-0.6509060552570494	-0.6509060552570494	17.81323978411515	-18.4641458393722	-12.52639924466715	-6.588652649962103	-0.6509060552570493	5.286840539447997	11.224587134153044	17.162333728858098	-18.4641458393722	-12.52639924466715	-6.588652649962103	-0.6509060552570494	5.286840539447997	11.224587134153044	17.162333728858098	-0.5344953745749315	-0.5640169852935489	-0.594935917846963	-0.6109415819909438	-0.6273232192086617	-0.6509060552570493	-0.6612499363520842	-0.6967871162507117	-0.734005805878018	-0.813771902212508	-0.9011166011432832	-0.5344953745749315	-0.5640169852935489	-0.594935917846963	-0.6109415819909438	-0.6273232192086619	-0.6509060552570494	-0.6612499363520842	-0.6967871162507117	-0.734005805878018	-0.8137719022125081	0.08953053992679827	-0.5606830430063418	-0.6509060552570493	-0.7176755988858715	-0.7706076879455719	0.08953053992679827	-0.5606830430063418	-0.6509060552570494	-0.7176755988858715	-0.7706076879455719	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570493	-0.6509060552570494	-0.6509060552570494	-0.6509060552570494	-0.6509060552570494	-0.6509060552570494	-0.6737817962214739	-0.7705928305254967	-0.7705928305254967	-0.7705928305254967	-0.7176616557773071	-0.65089326547841	0.08953053992679827	-0.6737817962214739	-0.6737817962214739	-5.621942984788449	-5.621942984788449	0.08606651774680596	-0.6509060552570531		0	-0.1770536970175861	-0.8279597522746392											1		-39.87
1005a. standard biochem potential, i.e. H+(aq) pHc=7 -> pHa=; corrected pH of DK$34	standard biochem potential, i.e. H+(aq) pHc=7 -> pHa=; corrected pH of DK$34	H+(aq) implicit		0	1005a	H+(aq) implicit	1093				0	1	0	0	0	0	0	1		0	0	0	1		-	-		-	-	-	-	-	-		-	-	-	-	-		0	-	-	-	-	-		-	-	-	-	-		0	-	-	-	-	-	-	-	-	-	-	-	-	-	1.0E-7	-41.56422616293534	0	0	A	0				H+(aq) implicit	0	A	-0.7404365951838443	-0.7404365951838443	0	39.95691494084263	0			39.95691494084264	0	-0.8096889262641842	0											-0.7404365951838443	-0.7404365951838443		-0.7404365951838443	-0.7404365951838443		0	0	0	0	0	0	0	0	0	41.56422616293535	40.823789567751504	40.823789567751504	40.823789567751504	0	0	0	0	0	0	0	0	0	0	0							1005. H+(aq) implicit	0	A	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	-0.7404365951838443	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	40.8237895677515				40.64673587073391
1005b. Control: H+(aq) implicit; pHc=6.87 -> pHa=7; corrected pH of DL$34. Should=0. Adjustment of column 55 (BY)	Control: H+(aq) implicit; pHc=6.87 -> pHa=7; corrected pH of DL$34. Should=0. Adjustment of column 55 (BY)	H+(aq) implicit		1051	1005b	H+(aq) implicit	1093				0	1	0	0	0	0	0	1		0	0	0	1		-	-		-	-	-	-	-	-		-	-	-	-	-		0	-	-	-	-	-		-	-	-	-	-		0	-	-	-	-	-	-	-	-	-	-	-	-	-	1.3326003768964284E-7	-40.8237895677515	0	0	A	0				H+(aq) implicit	0	A	0	0	0	39.95691494084263	0			39.95691494084264	0	-0.8096889262641842	0											0	0		0	0		0	0	0	0	0	0	0	0	0	41.56422616293535	40.823789567751504	40.823789567751504	40.823789567751504	0	0	0	0	0	0	0	0	0	0	0							1005. H+(aq) implicit	0	A	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	0	0	0	0	40.8237895677515				40.64673587073391
1005c. Control: actual biochem potential at pHc where pHa=7; corrected pH of DL$34	Control: actual biochem potential at pHc where pHa=7; corrected pH of DL$34	H+(aq) implicit		1051	1005c	H+(aq) implicit	1093				0	1	0	0	0	0	0	1		0	0	0	1		-	-		-	-	-	-	-	-		-	-	-	-	-		0	-	-	-	-	-		-	-	-	-	-		0	-	-	-	-	-	-	-	-	-	-	-	-	-	1.0E-7	-41.56422616293534	0	0	A	0				H+(aq) implicit	0	A	-0.7404365951838443	-0.7404365951838443	0	39.95691494084263	0			39.95691494084264	0	-0.8096889262641842	0											-0.7404365951838443	-0.7404365951838443	0.7404365951838475	3.219646771412954E-15	3.219646771412954E-15		0	0	0	0	0	0	0	0	0	41.56422616293535	40.823789567751504	40.823789567751504	40.823789567751504	0	0	0	0	0	0	0	0	0	0	0							1005. H+(aq) implicit	0	A	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	3.219646771412954E-15	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	40.8237895677515				40.64673587073391
1006. h2aq-species (ao)	h2aq-species (ao)	h2aq-species (ao)	H2	1044	1006	h2aq-species (ao)	1090				0	2	0	0	0	0	0	0		2	2	2	2		4.2	17.6	17.5728	-	-	-	17.73	-	-		-	-	-	-	-		17.6	-	-4.04	-	-4.2	-1	-4.184	-	-	-	-	-		-4.2	-	-	-	-	-	-	-	-	57.7	57.7	-	-	-	0.001	-17.813239784115144	17.6	17.6	AZ	0				h2aq-species (ao)	-4.2	AZW	83.79262324106799	83.79262324106799	83.79262324106799	99.13320773421364	99.13320773421364	99.13	-0.003235781719324038	99.13320773421364	99.13320773421364	0	80.38810452788783											83.79262324106799	83.79262324106799		83.79262324106799	83.79262324106799		18.47741069931243	48.166143672837684	60.04163686224778	71.91713005165786	83.79262324106799	95.66811643047808	107.54360961988817	119.41910280929827	18.47741069931243	101.60586302518313	101.60586302518313	101.60586302518313	101.60586302518313	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	17.6	99.13148291603306	83.79262324106799	83.79262324106799	99.13148291603306	1.0000149593062955	99.1	-5.982015885555755E-4	-0.012700065252087082	-0.012101863663531507	98.9	1006. h2aq-species (ao)	17.6	AZ	64.88342590082149	76.29944490589202	87.71546391096254	99.13148291603306	-0.15473247472710047	110.54750192110359	121.96352092617408	133.3795399312446	99.13148291603301	110.54750192110353	133.3795399312446	121.96352092617406	76.29944490589199	87.71546391096251	99.13148291603301	110.54750192110353	121.96352092617406	99.13320773421364	104.37558604779066	103.32610976608771	97.5121330354936	104.37558604779066	103.32610976608771	97.5121330354936	97.5121330354936	97.5121330354936	80.38810452788783	80.38810452788783	80.38810452788783	80.38810452788783	97.5121330354936	97.5121330354936	80.38810452788783	80.38810452788783	80.38810452788783	80.38810452788783	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	35.6264795682303	48.166143672837684	60.04163686224778	71.91713005165786	83.79262324106799	95.66811643047808	107.54360961988817	119.41910280929827	48.16614367283769	60.041636862247785	71.91713005165788	83.79262324106799	95.66811643047808	107.54360961988817	119.41910280929828	73.2953572087626	76.1324561364127	78.9695550640628	80.38810452788783	81.8066539917129	83.79262324106799	84.643752919363	87.48085184701311	90.3179507746632	95.99214862996342	101.66634648526363	73.2953572087626	76.13245613641271	78.9695550640628	80.38810452788783	81.8066539917129	83.79262324106799	84.64375291936301	87.48085184701311	90.3179507746632	95.99214862996342	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	80.38810452788783	101.60586302518313	101.60586302518313	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	80.38810452788783	80.38810452788783	87.71546391096251	87.71546391096251	99.13148291603301	100.47909722885059		0.3541073940351722	0	100.12498983481542											0.001		17.6
1007. h2aq-species (ao)	h2aq-species (ao)	h2aq-species (ao)	H2	1045	1007	h2aq-species (ao)	1091				0	2	0	0	0	0	0	0		2	2	2	2	17.6	4.2	17.6	17.5728	-	-	-	17.73	-	-		-	-	-	-	-		17.6	-	-4.04	-	-4.2	-1	-4.184	-	-	-	-	-		-4.2	-	-	-	-	-	-	-	-	57.7	57.7	-	-	-	0.001	-17.813239784115144	17.6	17.6	E	0				h2aq-species (ao)	-4.2	<AZW	83.79262324106799																					83.79262324106799	83.79262324106799		83.79262324106799	83.79262324106799		18.47741069931243	48.166143672837684	60.04163686224778	71.91713005165786	83.79262324106799	95.66811643047808	107.54360961988817	119.41910280929827	18.47741069931243	101.60586302518313	101.60586302518313	101.60586302518313	101.60586302518313	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	83.79262324106799	17.6	99.13148291603306			99.13148291603306							1007. h2aq-species (ao)	17.6	E	64.88342590082149	76.29944490589202	87.71546391096254	99.13148291603306	-0.15473247472710047	110.54750192110359	121.96352092617408	133.3795399312446			133.3795399312446																														83.79262324106799															73.2953572087626	76.1324561364127	78.9695550640628	80.38810452788783	81.8066539917129	83.79262324106799	84.643752919363	87.48085184701311	90.3179507746632	95.99214862996342	101.66634648526363

1169. MAGNESIUM	MAGNESIUM			1221	1169		1259																0																																																		0				MAGNESIUM																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1169. MAGNESIUM																																											0
1170. Magnesium (cr)	Magnesium (cr)	Magnesium (cr)	Mg	1222	1170	Magnesium (cr)	1260				0	0	0	0	0	0	1	0		0	0	2	24.31		-	0		-	-	-	-	-	-		-	-	0	0	0		-	-	-	0	0	-		0	0	-	0	-		-	-	-	-	3.929	-	-	32.667523626724076	0	32.68	-	32.67	-	-	1	0	0	0	-	0				Magnesium (cr)	0	-	472.64233587668605	472.64233587668605	472.64233587668605	19.360469895543268	475.66046989554326		-100	465.6604698955433	475.6604698955433	0	472.4240285076058											472.64233587668605	472.64233587668605		472.64233587668605	472.64233587668605		0	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	0	0	0	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	0	475.6627282686846	472.64233587668605	472.64233587668605	475.6627282686846							1170. Magnesium (cr)	0	-	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	-0.006349861388114546	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.6627282686846	475.66046989554326	476.1894937693264	476.10145774407346	475.66046989554326	476.1894937693264	476.08282935849525	475.66046989554326	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.4240285076058	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	0	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	471.9692214886886	472.1511442962555	472.3330671038224	472.4240285076058	472.51498991138925	472.64233587668605	472.69691271895607	472.87883552652295	473.06075833408977	473.4246039492235	473.78844956435717	471.9692214886886	472.1511442962555	472.3330671038224	472.4240285076058	472.51498991138925	472.64233587668605	472.69691271895607	472.87883552652295	473.06075833408977	473.4246039492235	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	472.64233587668605	454.8290960925709	466.70458928198104	472.64233587668605	478.5800824713911	484.51782906609617	454.8290960925709	466.70458928198104	472.64233587668605	478.5800824713911	484.51782906609617	472.4240285076058	476.08282935849525	476.08282935849525	476.08282935849525	472.64233587668605	472.64233587668605	472.64233587668605	472.4240285076058	472.4240285076058	475.6627282686846	475.6627282686846	475.6627282686846	478.782230411809		0.7082147880703444	0	478.07401562373866													0
1171a. Mg2+ species (aq) see 1274: standard biochem or metabolic mub0	Mg2+ species (aq) see 1274: standard biochem or metabolic mub0	Mg2+ species (aq)	Mg 2+	1223	1171a	Mg2+ species (aq)	1262				0	0	0	0	0	0	1	2		-2	-2	0	24.31	-455.3	-108.99	-454.8	-456.01416	-	-454.8	-454.66	-	-	-		-	-	-	-455.4	-455.4	-469.577728268685	-455.3	-469.574728268685	-	-466.9	-466.85	-110.41	-461.95544	-467	-467	-467	-	-		-467	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-455.3	-455.3	A page 111	0				Mg2+ species (aq) see 1274	-467	A	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-439.1782858095135	17.121714190486532	-2.9617463807353896	-117.29818841609357	7.121714190486529	17.12171419048653	-3.238755705056737	-3.2387557050567324											-2.9617463807353896	-2.9617463807353896		-2.9617463807353896	-2.9617463807353896		-454.8290960925709	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-454.8290960925709	-454.8290960925709	-457.7908424733063	14.851493403379758	14.851493403379758	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-455.3	17.123972563627852	-2.9617463807353896	-2.9617463807353896	17.123972563627852	-5.781714692051397	-458.5	182.4675122583771	-191.8645490357352	-183.7620612941123	-458	1274. Mg2+ species (aq)	-455.3	A page 111	17.123972563627852	17.123972563627852	17.123972563627852			17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.124028507605775	17.124028507605775	17.124028507605775	17.124028507605775	17.124028507605775	17.121714190486532	17.985482273822786	17.83180874001306	17.121714190486532	17.98554260324249	17.813239784115147	17.121714190486532	13.88527280254904	13.88527280254904	-3.238755705056736	-2.7880323989510067	-2.7880323989510067	-3.039445757111819	13.88527280254904	13.88527280254904	-3.2387557050567324	-2.788032398951003	-2.788032398951003	-3.0394457571118156	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-2.961746380735388	0	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.4533807177871587	-2.5830139012615536	-2.7182363720751628	-2.7880323989510067	-2.8593323181218544	-2.9617463807353896	-3.0065859272954985	-3.160281387489963	-3.320702886599113	-3.662860753136954	-4.035333030059963	-2.453380717787157	-2.58301390126155	-2.7182363720751592	-2.788032398951003	-2.859332318121856	-2.961746380735388	-3.006585927295495	-3.1602813874899596	-3.3207028865991095	-3.662860753136954	0	-2.6008543317325596	-2.9617463807353896	-3.2288245552506787	-3.4405529114894797	0	-2.600854331732556	-2.961746380735388	-3.228824555250675	-3.440552911489476	-20.77498616485054	-8.899492975440438	-2.9617463807353896	2.976000213969659	8.91374680867471	-20.774986164850535	-8.899492975440435	-2.961746380735388	2.9760002139696624	8.913746808674713	-3.039393255873124	17.813239784115147	17.813239784115147	0	-3.2287687828164184	-2.961695221620829	0	-3.039393255873124	-3.039393255873124	17.124028507605775	17.124028507605775	17.124028507605775	23.24491953116778		0	-0.7082147880703444	22.536704743097438													-455.3
1171b. control: mu at [Mgc] using column 55 (BY)	control: mu at [Mgc] using column 55 (BY)	Mg2+ species (aq)	Mg 2+	1223	1171b	Mg2+ species (aq)	1262				0	0	0	0	0	0	1	2		-2	-2	0	24.31	-455.3	-108.99	-454.8	-456.01416	-	-454.8	-454.66	-	-	-		-	-	-	-455.4	-455.4	-469.577728268685	-455.3	-469.574728268685	-	-466.9	-466.85	-110.41	-461.95544	-467	-467	-467	-	-		-467	-	-	-	-	-	-	-	-	-	-	-	-	-	0.003153550042578966	-14.851493403379756	-455.3	-455.3	A page 111	0				Mg2+ species (aq) see 1274	-467	A	0	0	-2.961746380735388	-439.1782858095135	17.121714190486532	0	-100	7.121714190486529	17.12171419048653	-3.238755705056737	-3.2387557050567324											0	0	0	0	0		-454.8290960925709	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-454.8290960925709	-454.8290960925709	-457.7908424733063	14.851493403379758	14.851493403379758	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-455.3	17.123972563627852	-2.9617463807353896	-2.9617463807353896	17.123972563627852		-458.5	183.66226728856432	-191.8645490357352	-184.95681632429952	-458	1274. Mg2+ species (aq)	-455.3	A page 111	17.123972563627852	17.123972563627852	17.123972563627852			17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.124028507605775	17.124028507605775	17.124028507605775	17.124028507605775	17.124028507605775	17.121714190486532	17.985482273822786	17.83180874001306	17.121714190486532	17.98554260324249	17.813239784115147	17.121714190486532	13.88527280254904	13.88527280254904	-3.238755705056736	-2.7880323989510067	-2.7880323989510067	-3.039445757111819	13.88527280254904	13.88527280254904	-3.2387557050567324	-2.788032398951003	-2.788032398951003	-3.0394457571118156	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-2.961746380735388	2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.4533807177871587	-2.5830139012615536	-2.7182363720751628	-2.7880323989510067	-2.8593323181218544	-2.9617463807353896	-3.0065859272954985	-3.160281387489963	-3.320702886599113	-3.662860753136954	-4.035333030059963	-2.453380717787157	-2.58301390126155	-2.7182363720751592	-2.788032398951003	-2.859332318121856	-2.961746380735388	-3.006585927295495	-3.1602813874899596	-3.3207028865991095	-3.662860753136954	0	-2.6008543317325596	-2.9617463807353896	-3.2288245552506787	-3.4405529114894797	0	-2.600854331732556	-2.961746380735388	-3.228824555250675	-3.440552911489476	-20.77498616485054	-8.899492975440438	-2.9617463807353896	2.976000213969659	8.91374680867471	-20.774986164850535	-8.899492975440435	-2.961746380735388	2.9760002139696624	8.913746808674713	-3.039393255873124	17.813239784115147	17.813239784115147	0	-3.2287687828164184	-2.961695221620829	0	-3.039393255873124	-3.039393255873124	17.124028507605775	17.124028507605775	17.124028507605775	23.24491953116778		0	-0.7082147880703444	22.536704743097438													-455.3
1171c. Control: biochem or metabolic mu not mu0 of Mg2+ species (aq) at the pMgc that corresponds to the pMg(a) given; mM and I switch on, pMga=anything	Control: biochem or metabolic mu not mu0 of Mg2+ species (aq) at the pMgc that corresponds to the pMg(a) given; mM and I switch on, pMga=anything	Mg2+ species (aq)	Mg 2+	1223	1171c	Mg2+ species (aq)	1262				0	0	0	0	0	0	1	2		-2	-2	0	24.31	-455.3	-108.99	-454.8	-456.01416	-	-454.8	-454.66	-	-	-		-	-	-	-455.4	-455.4	-469.577728268685	-455.3	-469.574728268685	-	-466.9	-466.85	-110.41	-461.95544	-467	-467	-467	-	-		-467	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-455.3	-455.3	A page 111	0				Mg2+ species (aq) see 1274	-467	A	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-439.1782858095135	17.121714190486532	-2.9617463807353896	-117.29818841609357	7.121714190486529	17.12171419048653	-3.238755705056737	-3.2387557050567324											-2.9617463807353896	-2.9617463807353896	2.96174638073539	0	0		-454.8290960925709	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-454.8290960925709	-454.8290960925709	-457.7908424733063	14.851493403379758	14.851493403379758	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-455.3	17.123972563627852	-2.9617463807353896	-2.9617463807353896	17.123972563627852	-5.781714692051397	-458.5	182.4675122583771	-191.8645490357352	-183.7620612941123	-458	1274. Mg2+ species (aq)	-455.3	A page 111	17.123972563627852	17.123972563627852	17.123972563627852			17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.124028507605775	17.124028507605775	17.124028507605775	17.124028507605775	17.124028507605775	17.121714190486532	17.985482273822786	17.83180874001306	17.121714190486532	17.98554260324249	17.813239784115147	17.121714190486532	13.88527280254904	13.88527280254904	-3.238755705056736	-2.7880323989510067	-2.7880323989510067	-3.039445757111819	13.88527280254904	13.88527280254904	-3.2387557050567324	-2.788032398951003	-2.788032398951003	-3.0394457571118156	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-2.961746380735388	2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.4533807177871587	-2.5830139012615536	-2.7182363720751628	-2.7880323989510067	-2.8593323181218544	-2.9617463807353896	-3.0065859272954985	-3.160281387489963	-3.320702886599113	-3.662860753136954	-4.035333030059963	-2.453380717787157	-2.58301390126155	-2.7182363720751592	-2.788032398951003	-2.859332318121856	-2.961746380735388	-3.006585927295495	-3.1602813874899596	-3.3207028865991095	-3.662860753136954	0	-2.6008543317325596	-2.9617463807353896	-3.2288245552506787	-3.4405529114894797	0	-2.600854331732556	-2.961746380735388	-3.228824555250675	-3.440552911489476	-20.77498616485054	-8.899492975440438	-2.9617463807353896	2.976000213969659	8.91374680867471	-20.774986164850535	-8.899492975440435	-2.961746380735388	2.9760002139696624	8.913746808674713	-3.039393255873124	17.813239784115147	17.813239784115147	0	-3.2287687828164184	-2.961695221620829	0	-3.039393255873124	-3.039393255873124	17.124028507605775	17.124028507605775	17.124028507605775	23.24491953116778		0	-0.7082147880703444	22.536704743097438													-455.3
1172. MALATE	MALATE			1224	1172		1263	.															0																																																		0				MALATE																														0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1172. MALATE																																											0
1173. malate11: DL-malic acid (cr)	malate11: DL-malic acid (cr)	(cr)DL-malic acid (cr)	C4H6O5	1225	1173	(cr)DL-malic acid (cr)	1264				4	6	0	5	0	0	0	0		-4	12	12	134.04		-264.2	-	-1105.4128	-	-	-	-	-	-		-	-	-	-	-		-	-	-1105.66	-	-	-	-	-	-	-	-	-		-	-264.26	-1105.66384	-	-	-	-	-	-	-	-	-	-	-	1	0	-1105.4128	-1105.4128	W	0				malate11: DL-malic acid (cr)	-1105.66	M	-95.3691803313103	-95.41680553573462	-95.41680553573462	-860.8131767973591	-860.8131767973591		-100	-860.8131767973591	-860.8131767973591	0	-865.6764008935193											-95.3691803313103	-95.3691803313103		-95.3691803313103	318.67082923698666		-1105.4028506456482	84.29477115614502	156.0530071221196	231.62020154395532	318.58021598289514	412.4871829196526	508.4622786583802	611.0015625477271	-1105.4028506456482	-856.0174936680362	-856.0174936680362	-856.0174936680362	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	318.58021598289514	318.58021598289514	318.58021598289514	-1105.4128	-82.41410110100298	-95.41680553573462	-95.41680553573462	-860.8183512519009							1173. malate11: DL-malic acid (cr)	-1105.4128	W	-963.5625222975356	-929.314465282324	-895.0664082671125	-860.8183512519009	-0.8892110278636446	-826.5702942366893	-792.3222372214777	-758.0741802062662	-860.818351251901	-826.5702942366895	-758.0741802062662	-792.322237221478	-929.3144652823241	-895.0664082671126	-860.818351251901	-826.5702942366895	-792.322237221478	-860.8131767973591	-848.3638952861097	-850.8567534453224	-865.6764008935193	-848.3638952861097	-850.8567534453224	-865.6764008935193	-865.6764008935193	-79.17540133992418	-79.17540133992418	-79.17540133992418	-79.20890075924308	-79.20890075924308	-865.6764008935193	-79.17540133992418	-79.17540133992418	-79.17540133992418	-79.20890075924308	-79.20890075924308	-95.38195782518028	-95.41680553573462	-95.38195782518028	-95.41680553573462	-71.20533393203652	-24.16384639927378	-47.91483277809402	-71.66581915691427	-95.41680553573462	-119.16779191455453	-142.91877829337477	-166.66976467219502	-24.16384639927378	-47.91483277809402	-71.66581915691427	-95.41680553573462	-119.16779191455453	-142.91877829337477	-166.66976467219502	-45.442432474886346	-58.949019788629016	-72.45560710237169	-79.20890075924308	-85.96219441611458	-95.41680553573462	-99.46878172985714	-112.97536904359993	-126.4819563573426	-153.49513098482896	-180.50830561231464	-45.442432474886346	-58.949019788629016	-72.45560710237169	-79.20890075924308	-85.96219441611458	-95.41680553573462	-99.46878172985714	-112.97536904359993	-126.4819563573426	-153.49513098482896	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-95.41680553573462	-79.2870660709873	-856.0174936680362	-95.49811686036139	-95.49811686036139	-95.49811686036139	-95.49811686036139	-95.49811686036139	-79.2870660709873	-79.2870660709873	-895.0664082671126	-895.0664082671126	-82.5257658320661	-859.3977910570337		1.0623221821055167	0	-860.4601132391392													-1105.4128

1274. Mg2+ species (aq at 1 Molar) see also 1171	Mg2+ species (aq at 1 Molar) see also 1171	Mg2+ species (aq)	Mg 2+	1223	1274	Mg2+ species (aq)	1262				0	0	0	0	0	0	1	2		-2	-2	0	24.31	-455.3	-108.99	-454.8	-456.01416	-	-454.8	-454.66	-	-	-		-	-	-	-455.4	-455.4		-455.3	-	-	-466.9	-466.85	-110.41	-461.95544	-467	-467	-467	-	-		-467	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-455.3	-455.3	A page 111	0				Mg2+ species (aq) see also 1171	-467	A	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-439.1782858095135	17.121714190486532	-2.9617463807353896	-117.29818841609357	7.121714190486529	17.12171419048653	-3.238755705056737	-3.2387557050567324											-2.9617463807353896	-2.9617463807353896		-2.9617463807353896	-2.9617463807353896		-454.8290960925709	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-454.8290960925709	-454.8290960925709	-457.7908424733063	14.851493403379758	14.851493403379758	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-455.3	17.123972563627852	-2.9617463807353896	-2.9617463807353896	17.123972563627852	-5.781714692051397	-458.5	182.4675122583771	-191.8645490357352	-183.7620612941123	-458	1274. Mg2+ species (aq)	-455.3	A page 111	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	-1.1729590706671817	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.123972563627852	17.124028507605775	17.124028507605775	17.124028507605775	17.124028507605775	17.124028507605775	17.121714190486532	17.985482273822786	17.83180874001306	17.121714190486532	17.98554260324249	17.813239784115147	17.121714190486532	13.88527280254904	13.88527280254904	-3.238755705056736	-2.7880323989510067	-2.7880323989510067	-3.039445757111819	13.88527280254904	13.88527280254904	-3.2387557050567324	-2.788032398951003	-2.788032398951003	-3.0394457571118156	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-2.961746380735388	0	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.9617463807353896	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.961746380735388	-2.4533807177871587	-2.5830139012615536	-2.7182363720751628	-2.7880323989510067	-2.8593323181218544	-2.9617463807353896	-3.0065859272954985	-3.160281387489963	-3.320702886599113	-3.662860753136954	-4.035333030059963	-2.453380717787157	-2.58301390126155	-2.7182363720751592	-2.788032398951003	-2.859332318121856	-2.961746380735388	-3.006585927295495	-3.1602813874899596	-3.3207028865991095	-3.662860753136954	0	-2.6008543317325596	-2.9617463807353896	-3.2288245552506787	-3.4405529114894797	0	-2.600854331732556	-2.961746380735388	-3.228824555250675	-3.440552911489476	-20.77498616485054	-8.899492975440438	-2.9617463807353896	2.976000213969659	8.91374680867471	-20.774986164850535	-8.899492975440435	-2.961746380735388	2.9760002139696624	8.913746808674713	-3.039393255873124	17.813239784115147	17.813239784115147	0	-3.2287687828164184	-2.961695221620829	0	-3.039393255873124	-3.039393255873124	17.124028507605775	17.124028507605775	17.124028507605775	23.24491953116778		0	-0.7082147880703444	22.536704743097438													-455.3

1301. NAD21: nadox- adjusted species; as and relative to element/starting point [NAD+] -	NAD21: nadox- adjusted species; as and relative to element/starting point [NAD+] -	nadox- -species; as and relative to element/starting point [NAD+] -	"NAD+" = C21H26N7O14P2 -	1372	1301	nadox- -species; as and relative to element/starting point [NAD+] -	1416		53-84-9		0	0	0	0	0	0	0	-1	[NAD+] -	1	1	1	0		-	-		-	-	-418.4	-	-	-		-	-	-	-	-		0	-	-	-	-	-		-	-	-	-	-		0	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	0	0	A	0				NAD21: nadox- adjusted species; as and relative to element/starting point [NAD+] -	0	XX	-18.553676379298995	-18.553676379298995	-17.813239784115144	-0.8096889262641841	0			-0.8096889262641842	0	-0.8096889262641842	-17.12402850760577											-18.553676379298995	-18.553676379298995		-18.553676379298995	-18.553676379298995		0	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	0	0	0	0	0	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	0	0	-17.813239784115147	-17.813239784115147	0							1301. NAD21: nadox- adjusted species; as and relative to element/starting point [NAD+] -	0	A	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	-17.124028507605775	-17.124028507605775	-17.124028507605775	-17.124028507605775	0	0	-17.12402850760577	-17.12402850760577	-17.12402850760577	-17.12402850760577	-17.813239784115147	-17.813239784115147	-17.813239784115144	-17.813239784115144	-0.7404365951838479	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-15.688171681544585	-16.26251441196906	-16.83685714239354	-17.124028507605775	-17.411199872818013	-17.813239784115147	-17.98554260324249	-18.55988533366697	-19.134228064091445	-20.282913524940398	-21.431598985789353	-15.688171681544583	-16.262514411969057	-16.836857142393537	-17.12402850760577	-17.411199872818013	-17.813239784115144	-17.985542603242486	-18.559885333666966	-19.13422806409144	-20.282913524940398	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115147	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.12402850760577	0	0	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.813239784115144	-17.12402850760577	-17.12402850760577	0	0	0	-0.1770536970175861		-0.1770536970175861	-0.1770536970175861	-0.1770536970175861											0.001		0
1302. NAD22: nadred+ H+-nadox adjusted	NAD22: nadred+ H+-nadox adjusted	nadred+ H+-nadox	2H on NAD+	1373	1302	nadred+ H+-nadox	1417				0	1	0	0	0	0	0	-2		3	3	3	1		-	-		-	-	20.91999999999996	-	21.52	21.7	90.7928	-	-	-	-	-			-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	22.65	22.65	A	0				NAD22: nadred+ H+-nadox adjusted	0	XX	44.35086166503097	44.35086166503097	46.572171450582516	60.177848162050076	62.60691494084263		-100	60.17784816205008	62.606914940842636	-3.238755705056737	44.672349083876846											44.35086166503097	44.35086166503097		44.35086166503097	44.35086166503097		23.561621666946166	28.758931666467376	34.69667826117242	40.63442485587747	46.57217145058251	52.50991804528757	58.4476646399926	64.38541123469767	23.561621666946166	65.12584782988151	64.38541123469766	64.38541123469766	64.38541123469766	46.57217145058251	46.57217145058251	46.57217145058251	46.57217145058251	46.57217145058251	46.57217145058251	22.65	62.60605253175234	46.57217145058251	46.57217145058251	62.60605253175234							1302. NAD22: nadred+ H+-nadox adjusted	22.65	A	45.48202402414656	51.190033526681816	56.89804302921708	62.60605253175234	-0.29158827507073315	68.3140620342876	74.02207153682286	79.73008103935811	62.60605253175232	68.31406203428759	79.73008103935811	74.02207153682284	51.19004751267629	56.89805701521155	62.606066517746804	68.31407602028207	74.02208552281732	62.60691494084263	65.75577807556027	65.12583297246144	61.79637759148262	65.75579315791519	65.12584782988151	61.79637759148262	61.79637759148262	61.79637759148262	44.67234908387684	44.78502991040328	44.78502991040328	44.72217657086307	61.79637759148262	61.79637759148262	44.672349083876846	44.78502991040328	44.78502991040328	44.72217657086308	46.57217145058251	46.57217145058251	46.572171450582516	46.572171450582516	15.591929998563593	28.758931666467376	34.69667826117242	40.63442485587747	46.57217145058251	52.50991804528757	58.4476646399926	64.38541123469767	28.75893166646738	34.69667826117242	40.63442485587747	46.572171450582516	52.50991804528758	58.44766463999261	64.38541123469767	41.055005256474814	42.54807199029398	44.03974140227836	44.78502991040328	45.52994244545445	46.57217145058251	47.01860407284882	48.505655237487986	49.99102489239846	52.956435485139565	55.91426747528436	41.055005256474814	42.548071990293984	44.039741402278366	44.78502991040328	45.52994244545445	46.572171450582516	47.018604072848824	48.505655237487986	49.99102489239846	52.956435485139565	47.31260804576636	46.66239446283323	46.57217145058251	46.505401906953686	46.45246981789399	47.31260804576637	46.662394462833234	46.572171450582516	46.50540190695369	46.452469817894	46.57217145058251	46.57217145058251	46.57217145058251	46.57217145058251	46.57217145058251	46.572171450582516	46.572171450582516	46.572171450582516	46.572171450582516	46.572171450582516	44.72218969617275	64.26572445942921	64.26572445942921	46.45248467531407	46.50541585006226	46.57218424036115	47.31260804576637	44.72218969617275	44.72218969617275	56.89805701521155	56.89805701521155	62.606066517746804	63.85425014364491		-0.5311610910527583	-0.7082147880703444	63.67719644662733											0.001		22.65
1302b. NADred-NADox difference	NADred-NADox difference				1302b	NADred-NADox difference					0	1	0	0	0	0	0	1.7320508075688772																																																		1	0		22.65	A						0	XX	62.90453804432997	62.90453804432997																				62.90453804432997	62.90453804432997		62.90453804432997	62.90453804432997	62.90453804432997
1303. NADP	NADP			1374	1303		1418																0																																																		0				NADP																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1303. NADP																																											0
1304. NADP11: nadpox-species	NADP11: nadpox-species	nadpox-species	C21H25N7O17P3 3- =[NADP+] -3	1375	1304	nadpox-species	1419				21	25	7	17	3	0	0	-3		-12	72	128	740.1899999999999	-3256.8	-	-		-	-	-418.4	-	-418.4	-		0	0	-	-	-		-835.18	-	-	-	-	-		-	-	-	-	-		-1007.48	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3256.8	-3256.8	E	0				NADP11: nadpox-species	-4071	'=1.25*BW1420	376.802832450884																					376.802832450884	376.802832450884		376.802832450884	3437.327054315394		-3224.0299178265977	1664.9081006342149	2219.8571802211613	2795.600258784845	3436.2309250604367	4121.896359930889	4821.3239044806805	5555.5644521392405	-3224.0299178265977	-2184.9242637532143	-2191.588193109869	-2191.588193109869	394.4541465399566	376.64090675584146	1756.3515662591894	1756.3515662591894	3929.8359292319956	1599.2487353397519	3436.2309250604367	-3256.8	401.6307866270881			-2244.9436638859647		-2087.9				-2089.8	1304. NADP11: nadpox-species	-3256.8	E	-2673.0443765761092	-2530.3441390127277	-2387.6439014493462	-2244.9436638859647	-1.1678451172349884	-2102.243426322583	-1959.543188759202	-1816.8429511958204			-1816.8429511958204																														376.802832450884															426.07681740280356	412.7332270898976	399.3770608804783	392.6940619949635	386.00767935178425	376.64090675584146	372.624443081055	359.2267126455294	345.81384862244533	318.94016212255536	291.9982681993022
1305. NADP12: nadpred-species	NADP12: nadpred-species	nadpred-species	C21H26N7O17P3 4- =[NADPH] -4	1376	1305	nadpred-species	1420				21	26	7	17	3	0	0	-4		-10	74	130	741.1899999999999	-3162.9	-	-		-	-	-396.38	21.1(25.1)	-	-		21.7	-	-	-	-		-809.71	-	-26.7	-	-	-		-	-	-	-	-		-1036.66	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3162.9	-3162.9	E	0				NADP12: nadpred-species	-3953.625	'=1.25*BW1421	506.1391760178834																					506.1391760178834	506.1391760178834		506.1391760178834	3566.663397882393		-3131.074744256247	1776.4312044170988	2337.3180305987503	2918.9988557571396	3565.5672686274356	4257.1704500925935	4962.5357412370895	5702.714035490355	-3131.074744256247	-2050.404864019928	-2062.2518495428694	-2062.2518495428694	523.790490106956	505.97725032284086	1885.6879098261888	1885.6879098261888	4059.172272798995	1728.5850789067513	3565.5672686274356	-3162.9	530.6287056012557			-2115.945744911797		-2024.5				-2026	1305. NADP12: nadpred-species	-3162.9	E	-2561.1704861095477	-2412.762239043631	-2264.353991977714	-2115.945744911797	-1.239202341191873	-1967.5374978458806	-1819.1292507799637	-1670.7210037140471			-1670.7210037140471																														506.1391760178834															554.2575234653829	541.2398527610128	528.1998249072857	521.6710718145462	515.1363031526267	505.97725032284086	502.0481507454583	488.93423093420864	475.79340696729867	449.4264995602004	422.9383345115632
1306. NADP13: nadpred-nadpox difference	NADP13: nadpred-nadpox difference	nadpred-nadpox		1377	1306	nadpred-nadpox	1421				0	1	0	0	0	0	0	2.6457513110645907					1																																													1	0	93.90000000000009	93.90000000000009	E	0				NADP13: nadpred-nadpox	117.375	<XXX	129.336343566999																					129.336343566999	129.336343566999		129.336343566999	129.336343566999	129.33634356699895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1306. NADP13: nadpred-nadpox	93.90000000000009	E																																									129.336343566999
1307. NADP14: adjusted nadpox-species	NADP14: adjusted nadpox-species	nadpox-species	C21H25N7O17P3 3- =[NADP+] -3	1378	1307	nadpox-species	1422				21	25	7	17	3	0	0	-3		-12	72	128	740.1899999999999		-	-		-	-	-418.4	-	-418.4	-		0	0	-	-	-		-835.18	-	-	-	-	-		-	-	-	-	-		-1007.48	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-835.18	-835.18	A	0				NADP14: adjusted nadpox-species	-1007.48	A	2772.5875146578273	2772.425588962785	2772.425588962785	176.69789634129276	176.69789634129276	176.86	0.09174057080687525	176.69789634129276	176.69789634129276	-7.287200336377658	139.31043409968672											2772.5875146578273	2772.5875146578273		2772.5875146578273	5833.111736522336		-828.2452356196545	4060.6927828411576	4615.641862428104	5191.384940991788	5832.01560726738	6517.681042137832	7217.108586687624	7951.349134346183	-828.2452356196545	210.86041845372915	204.19648909707453	204.19648909707453	2790.2388287469	2772.425588962785	4152.136248466133	4152.136248466133	6325.620611438939	3995.0334175466955	5832.01560726738	-835.18	2823.2507866270885	2772.425588962785	4140.4736355376535	176.67633611403548	0.9989615295376878	-2087.9				-2089.8	1307. NADP14: adjusted nadpox-species	-835.18	A	-251.42437657610893	-108.72413901272742	33.976098550653965	176.67633611403548	14.69303267002472	319.37657367741707	462.07681124079835	604.7770488041799	176.67633611403502	319.3765736774164	604.7770488041799	462.0768112407979	-108.72401313877755	33.976224424603956	176.67646198798533	319.37669955136676	462.07693711474826	176.69789634129276	236.61529579153094	224.62225866418515	156.4344626072925	236.61543153272527	224.62239238096583	156.4344626072925	156.4344626072925	2830.537861089516	2813.41383258191	2814.427960020648	2814.3140619949636	2813.748381939102	156.4344626072925	2830.537861089516	2813.4138325819104	2814.4279600206482	2814.3140619949636	2813.748381939102	2772.544071178669	2772.425588962785	2772.544071178669	2772.425588962785	-160.15723236199437	2932.7447470198217	2879.305027667476	2825.8653083151307	2772.425588962785	2718.98586961044	2665.5461502580943	2612.1064309057488	2932.7447470198217	2879.305027667476	2825.8653083151307	2772.425588962785	2718.98586961044	2665.5461502580943	2612.1064309057488	2901.5203961383395	2866.647374331219	2831.7617766275857	2814.3140619949636	2796.8629636046776	2772.425588962785	2761.950295839734	2727.0231339099937	2692.080838392695	2622.1482889043773	2552.1475319926953	2901.5203961383395	2866.647374331219	2831.7617766275857	2814.3140619949636	2796.8629636046776	2772.425588962785	2761.950295839734	2727.0231339099937	2692.080838392695	2622.1482889043773	2779.0895183194393	2773.2375960730415	2772.425588962785	2771.8246630701256	2771.3482742685883	2779.0895183194393	2773.2375960730415	2772.425588962785	2771.8246630701256	2771.3482742685883	2772.425588962785	2772.425588962785	2772.425588962785	2772.425588962785	2772.425588962785	2772.425588962785	2772.425588962785	2772.425588962785	2772.425588962785	2772.425588962785	2813.4827380069582	203.1193081196585	2788.8851892657526	2771.0719494816376	2771.5483300543715	2772.1492455670614	2778.813059815708	4159.479167695512	2813.4827380069582	33.976224424603956	33.976224424603956	2822.8712524154244	195.18236272641437		2.8328591522813777	-1.593483273158275	190.7560203009747											0.001		-835.18
1308. NADP15: adjusted nadpred-species	NADP15: adjusted nadpred-species	nadpred-species	C21H26N7O17P3 4- =[NADPH] -4	1379	1308	nadpred-species	1423				21	26	7	17	3	0	0	-4		-10	74	130	741.1899999999999		-	-		-	-	-396.38	21.1(25.1)	-	-		21.7	-	-	-	-		-809.71	-	-26.7	-	-	-		-	-	-	-	-		-1036.66	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-809.71	-809.71	A	0				NADP15: adjusted nadpred-species	-1036.66	A	2836.638248632339	2836.4763229372966	2836.4763229372966	237.26667772455042	237.26667772455042	237.25	-0.0070291052710613755	237.26667772455025	237.26667772455025	-12.955022820226947	199.0686781335842											2836.638248632339	2836.638248632339		2836.638248632339	5897.162470496849		-800.5756716417911	4106.930277031554	4667.817103213206	5249.497928371595	5896.066341241891	6587.6695227070495	7293.034813851546	8033.21310810481	-800.5756716417911	280.0942085945278	268.24722307158623	268.24722307158623	2854.2895627214116	2836.4763229372966	4216.186982440644	4216.186982440644	6389.67134541345	4059.0841515212064	5896.066341241891	-809.71	2883.8187056012557	2836.4763229372966	4204.524369512165	237.24425508820266	0.999975785408652	-2024.5				-2026	1308. NADP15: adjusted nadpred-species	-809.71	A	-207.9804861095475	-59.57223904363077	88.83600802228595	237.24425508820266	10.956615124685458	385.65250215411953	534.0607492200363	682.4689962859529	237.2442550882022	385.6525021541191	682.4689962859529	534.0607492200356	-59.57201526771942	88.8362317981973	237.24447886411392	385.6527259300307	534.0609729959474	237.26667772455042	301.56203968605263	288.6952045803296	216.19270664118997	301.5622810037314	288.69544229905074	216.19270664118997	216.19270664118997	2890.2961051234133	2873.1720766158073	2874.97496984023	2874.861071814546	2873.855418381903	216.19270664118997	2890.2961051234133	2873.172076615808	2874.97496984023	2874.8610718145464	2873.8554183819033	2836.594805153181	2836.4763229372966	2836.594805153181	2836.4763229372966	-142.3439925778789	2978.982241210218	2931.480268452578	2883.9782956949375	2836.4763229372966	2788.974350179657	2741.472377422016	2693.9704046643756	2978.982241210218	2931.480268452578	2883.9782956949375	2836.4763229372966	2788.974350179657	2741.472377422016	2693.9704046643756	2954.7202888519337	2922.793511992943	2890.844377984596	2874.861071814546	2858.871750075316	2836.4763229372966	2826.8744915135285	2794.8514655476583	2762.8015354261283	2698.6164157097896	2634.310038351912	2954.7202888519337	2922.793511992943	2890.844377984596	2874.8610718145464	2858.871750075316	2836.4763229372966	2826.8744915135285	2794.8514655476583	2762.8015354261283	2698.6164157097896	2848.3233084602384	2837.919891133308	2836.4763229372966	2835.4080102392354	2834.5610968142805	2848.3233084602384	2837.919891133308	2836.4763229372966	2835.4080102392354	2834.5610968142805	2836.4763229372966	2836.4763229372966	2836.4763229372966	2836.4763229372966	2836.4763229372966	2836.4763229372966	2836.4763229372966	2836.4763229372966	2836.4763229372966	2836.4763229372966	2873.589866326927	266.33223466729106	2852.0981158133854	2834.2848760292704	2835.1317748252413	2836.200069070024	2848.0468499565072	4219.586296015481	2873.589866326927	88.8362317981973	88.8362317981973	2883.4392692915526	262.61339408992364		1.7705369701758613	-2.8328591522813777	258.0099979674664											0.001		-809.71		60.389999999999986
1309. NADP16: adjusted nadpred-nadpox difference	NADP16: adjusted nadpred-nadpox difference	nadpred-nadpox	2H on NADP+	1380	1309	nadpred-nadpox	1424				0	1	0	0	0	0	0	2.6457513110645907		-1.6457513110645907	-1.6457513110645907	-1.6457513110645907	1		-	-		-	-	22.019999999999982	-	24.5	25.1	105.01840000000001	21.7	-	-	-	-		25.469999999999914	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	1	0	25.469999999999914	25.469999999999914	A	0				NADP16: adjusted nadpred-nadpox	-29.180000000000064	A	64.05073397451183	64.05073397451183	64.05073397451179	60.568781383257445	60.56878138325766	60.389999999999986	-0.09876967607793663	60.56878138325749	60.56878138325749	-5.66782248384929	59.75824403389748	0	0	0	0	0	0	0	0	0	0	64.05073397451183	64.05073397451183		64.05073397451183	64.05073397451183	64.0507339745127	27.66956397786339	46.23749419039632	52.17524078510178	58.11298737980678	64.05073397451179	69.98848056921679	75.9262271639218	81.8639737586268	27.66956397786339	69.23379014079865	64.0507339745117	64.0507339745117	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	25.469999999999914	60.56791897416724	64.05073397451179	64.05073397451179	60.567918974167185	1.0029461661561052						1309. NADP16: adjusted nadpred-nadpox	25.469999999999914	A	43.44389046656141	49.15189996909665	54.85990947163199	60.567918974167185	0.0575026360379015	66.27592847670246	71.98393797923796	77.69194748177301	60.567918974167185	66.27592847670269	77.69194748177301	71.98393797923774	54.01004751267621	59.718057015211464	65.42606651774672	71.13407602028198	76.84208552281723	60.56878138325766	64.94674389452169	64.07294591614442	59.75824403389748	70.18572104656175	69.23379014079875	59.75824403389748	59.75824403389748	59.75824403389743	59.75824403389743	60.5470098195824	60.5470098195824	60.10703644280102	59.75824403389748	59.75824403389743	59.75824403389743	60.547009819581945	60.547009819582854	60.10703644280147	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	17.81323978411551	46.23749419039632	52.17524078510178	58.11298737980678	64.05073397451179	69.98848056921679	75.9262271639218	81.8639737586268	46.23749419039632	52.17524078510178	58.11298737980678	64.05073397451179	69.98848056921679	75.9262271639218	81.8639737586268	53.19989271359418	56.14613766172397	59.08260135701039	60.5470098195824	62.00878647063837	64.05073397451179	64.92419567379466	67.82833163766463	70.72069703343323	76.46812680541234	82.16250635921688	53.19989271359418	56.14613766172397	59.08260135701039	60.547009819582854	62.00878647063837	64.05073397451179	64.92419567379466	67.82833163766463	70.72069703343323	76.46812680541234	69.2337901407991	64.68229506026637	64.05073397451179	63.58334716910986	63.212822545692234	69.2337901407991	64.68229506026637	64.05073397451179	63.58334716910986	63.212822545692234	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	64.05073397451179	47.54218969617267	68.37366677034646	68.37366677034646	50.56042698623132	50.613358160979516	50.680126551278406	51.42055035668362	47.54218969617267	47.54218969617267	59.718057015211464	59.718057015211464	65.42606651774672	67.43103136350938		-1.0623221821055169	-1.2393758791231029	67.25397766649179													25.469999999999914
1310. NADP20	NADP20			1381	1310		1425																0																																																		0				NADP20																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1310. NADP20																																											0
1311. NADP21: nadpox-species; rel to NAD+	NADP21: nadpox-species; rel to NAD+	nadpox-species; rel to NAD+	C21H25N7O17P3 3- =[NADP+] -3	1382	1311	nadpox-species; rel to NAD+	1426				0	-1	0	3	1	0	0	-3	[NAD+] -	1	1	1	77.97		-	-		-	-	-418.4	-	-	-		-	-	-	-	-		-835.18	-	-	-	-	-		-	-	-	-	-		-1007.48	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-835.18	-835.18	A	0				NADP21: nadpox-species; rel to NAD+	-1007.48	-	-437.8976429213242	-437.9262180439787	-434.2240350680594	-883.2338042034844	-879.1853595721635		-100	-883.2338042034845	-879.1853595721635	-7.287200336377658	-895.4988507304092											-437.8976429213242	-437.8976429213242		-437.8976429213242	22.23057920313994		-828.2452356196545	41.18374269639554	35.27464374316662	29.631200484426586	25.679518099723282	24.582258375460185	24.453143140861357	24.44103301226903	-828.2452356196545	-869.8094617825899	-872.7712081633252	-872.7712081633252	-416.41079528394425	-434.2240350680594	25.679518099723282	25.679518099723282	25.679518099723282	25.679518099723282	25.679518099723282	-835.18	-412.14194707253455	-434.2240350680594	21.791980456896965	-879.1844971630733							1311. NADP21: nadpox-species; rel to NAD+	-835.18	A	-862.0604686554675	-867.7684781580027	-873.4764876605379	-879.1844971630733	-0.5019274744557947	-884.8925066656085	-890.6005161681437	-896.308525670679	-879.1844971630732	-884.8925066656085	-896.308525670679	-890.6005161681437	-867.7684222140248	-873.47643171656	-879.1844412190952	-884.8924507216306	-890.6004602241658	-879.1853595721635	-872.8435972411833	-874.1101380645316	-878.3748222228035	-872.8435369117635	-874.1100786348513	-878.3748222228035	-878.3748222228035	-406.4742224906464	-423.5982509982522	-423.14752769214647	-423.16762734373776	-423.41904070189855	-878.3748222228035	-406.4742224906464	-423.5982509982522	-423.14752769214647	-423.16762734373776	-423.41904070189855	-434.20312644172685	-434.2240350680594	-434.20312644172685	-434.2240350680594	-128.3662863420708	-309.5313565792534	-351.09558274218864	-392.6598089051239	-434.2240350680594	-475.78826123099464	-517.3524873939301	-558.9167135568654	-309.5313565792534	-351.09558274218864	-392.6598089051239	-434.2240350680594	-475.78826123099464	-517.3524873939301	-558.9167135568654	-400.16069703228845	-409.3592416678769	-418.56337559080487	-423.16762734373776	-427.7733829889658	-434.2240350680594	-436.9895480502539	-446.2121549625624	-455.44148791378575	-473.9214686845524	-492.431763865704	-400.16069703228845	-409.3592416678769	-418.5633755908048	-423.16762734373776	-427.7733829889658	-434.2240350680594	-436.9895480502539	-446.2121549625624	-455.4414879137857	-473.9214686845524	-431.26228868732403	-433.86314301905657	-434.2240350680594	-434.49111324257467	-434.7028415988135	-431.26228868732403	-433.86314301905657	-434.2240350680594	-434.49111324257467	-434.7028415988135	-434.2240350680594	-434.2240350680594	-434.2240350680594	-434.2240350680594	-434.2240350680594	-434.2240350680594	-434.2240350680594	-434.2240350680594	-434.2240350680594	-434.2240350680594	-423.4658873877065	-873.2499552643991	-416.9383291797942	-434.75156896390934	-434.5398442649166	-434.272770703721	-431.31107548210014	25.19958917514458	-423.4658873877065	-873.47643171656	-873.47643171656	-412.2088899671943	-870.8395621575819		-1.7705369701758613	-1.593483273158275	-870.6625084605644											0.001		-835.18
1312. NADP22: nadpred-species; rel to NAD+	NADP22: nadpred-species; rel to NAD+	nadpred-species; rel to NAD+	C21H26N7O17P3 4- =[NADPH] -4	1383	1312	nadpred-species; rel to NAD+	1427				0	0	0	3	1	0	0	-4	[NAD+] -	3	3	3	78.97		-	-		-	-	-396.38	-	-	-		-	-	-	-	-		-809.71	-	-	-	-	-		-	-	-	-	-		-1036.66	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-809.71	-809.71	A	0				NADP22: nadpred-species; rel to NAD+	-1036.66	-	-373.8469089468123	-373.8754840694668	-368.6924279031799	-822.665022820227	-816.9972003363777		-100	-822.665022820227	-816.9972003363777	-12.955022820226947	-834.1212288439834											-373.8469089468123	-373.8469089468123		-373.8469089468123	86.28131317765184		-800.5756716417911	88.90211007715988	88.93075771863596	89.22506105460093	91.21112526460274	96.05161213504465	101.86024349515094	107.78587996126362	-800.5756716417911	-800.5756716417911	-807.2396009984458	-807.2396009984458	-350.8791881190648	-368.6924279031799	91.21112526460274	91.21112526460274	91.21112526460274	91.21112526460274	91.21112526460274	-809.71	-349.95465024583893	-368.6924279031799	87.32358762177643	-816.9972003363777							1312. NADP22: nadpred-species; rel to NAD+	-809.71	A	-816.9972003363777	-816.9972003363777	-816.9972003363777	-816.9972003363777	-0.5424134760891587	-816.9972003363777	-816.9972003363777	-816.9972003363777	-816.9972003363777	-816.9972003363777	-816.9972003363777	-816.9972003363777	-816.9970744624273	-816.9970744624273	-816.9970744624273	-816.9970744624273	-816.9970744624273	-816.9972003363777	-806.1505326567665	-808.3169156926425	-816.9972003363777	-806.1503969155722	-808.3167819758618	-816.9972003363777	-816.9972003363777	-345.0966006042206	-362.2206291118264	-361.2065016730885	-361.2266013246798	-361.7922813805417	-816.9972003363777	-345.0966006042206	-362.2206291118264	-361.2065016730885	-361.2266013246798	-361.7922813805417	-368.6715192768474	-368.6924279031799	-368.6715192768474	-368.6924279031799	-112.03391974832323	-261.81298919848905	-297.4394687667193	-333.06594833494955	-368.6924279031799	-404.31890747141017	-439.94538703964054	-475.5718666078708	-261.81298919848905	-297.4394687667193	-333.06594833494955	-368.6924279031799	-404.31890747141017	-439.94538703964054	-475.5718666078708	-345.73411395980077	-351.9215970555222	-358.12165604775714	-361.2266013246798	-364.3349303592665	-368.6924279031799	-370.56205941281144	-376.80368263115304	-383.060439437053	-395.6219115025718	-408.251590991457	-345.73411395980077	-351.9215970555222	-358.1216560477571	-361.2266013246798	-364.3349303592665	-368.6924279031799	-370.56205941281144	-376.80368263115304	-383.06043943705293	-395.6219115025718	-362.02849854652527	-367.8804207929236	-368.6924279031799	-369.29335379583927	-369.76974259737665	-362.02849854652527	-367.8804207929236	-368.6924279031799	-369.29335379583927	-369.76974259737665	-368.6924279031799	-368.6924279031799	-368.6924279031799	-368.6924279031799	-368.6924279031799	-368.6924279031799	-368.6924279031799	-368.6924279031799	-368.6924279031799	-368.6924279031799	-361.8390624398012	-808.3167819758618	-352.0051558912569	-369.818395675372	-369.34201510263836	-368.74109958994825	-362.0772853413014	86.82641412304991	-361.8390624398012	-816.9970744624273	-816.9970744624273	-350.0215232105264	-803.4085307940725		-2.8328591522813777	-2.8328591522813777	-803.4085307940725											0.001		-809.71
1313. NADP23: nadpred-nadpox difference	NADP23: nadpred-nadpox difference	nadpred-nadpox	2H on NADP+	1384	1313	nadpred-nadpox	1428				0	1	0	0	0	0	0	2.6457513110645907		-1.6457513110645907	-1.6457513110645907	-1.6457513110645907	1		-	-		-	-	22.019999999999982	-	-396.38	-		-	-	-	-	-		25.469999999999914	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	1	0	25.469999999999914	25.469999999999914	A	0				NADP23: nadpred-nadpox	-29.180000000000064	-	64.05073397451183	64.05073397451183	49.220986378820115	60.568781383257445	25.469999999999914		-100	60.568781383257445	66.23660386710674	-5.6678224838492905	48.30203801014095											64.05073397451183	64.05073397451183		64.05073397451183	64.05073397451183	64.0507339745119	25.469999999999914	30.667309999521123	36.60505659422617	42.54280318893122	48.480549783636256	54.41829637834132	60.35604297304635	66.29378956775142	25.469999999999914	67.03422616293525	66.2937895677514	66.2937895677514	66.2937895677514	48.480549783636256	48.480549783636256	48.480549783636256	48.480549783636256	48.480549783636256	48.480549783636256	25.469999999999914	65.42605253175225	49.22098637882011	49.22098637882011	65.42605253175225							1313. NADP23: nadpred-nadpox	25.469999999999914	A	48.302024024146476	54.01003352668174	59.71804302921699	65.42605253175225	-0.02102096189546139	71.13406203428752	76.84207153682277	82.55008103935803	66.23574145801642	71.94375096055168	82.55008103935803	77.65176046308693	25.469999999999914	25.469999999999914	25.469999999999914	25.469999999999914	25.469999999999914	66.23660386710674	68.30941133682498	67.89434953338755	65.42606651774672	25.469999999999914	25.469999999999914	65.42606651774672	65.42606651774672	65.42606651774672	48.30203801014095	48.30203801014095	48.30203801014095	48.30203801014095	65.42606651774672	65.42606651774672	48.30203801014095	48.30203801014095	48.30203801014095	48.30203801014095	49.22098637882011	49.22098637882011	49.220986378820115	49.220986378820115	32.64298737980686	31.407746594704967	37.345493189410014	43.28323978411506	49.22098637882011	55.15873297352517	61.0964795682302	67.03422616293525	31.40774659470497	37.34549318941002	43.28323978411507	49.220986378820115	55.158732973525176	61.09647956823021	67.03422616293527	45.77421706261258	46.50759907397661	47.239583763505834	47.60502991040319	47.9701000842268	48.480549783636256	48.69907698916603	49.42644343135004	50.15212836380539	51.598169511636215	53.03663205687073	46.38756224205937	47.153352549292	47.91914285652463	48.30203801014095	48.684933163757265	49.220986378820115	49.45072347098991	50.216513778222534	50.98230408545517	52.51388469992045	49.22098637882011	49.22098637882011	49.22098637882011	49.22098637882011	49.22098637882011	49.220986378820115	49.220986378820115	49.220986378820115	49.220986378820115	49.220986378820115	49.22098637882011	49.22098637882011	49.22098637882011	49.22098637882011	49.22098637882011	49.220986378820115	49.220986378820115	49.220986378820115	49.220986378820115	49.220986378820115	8.345971492394142	25.469999999999914	25.469999999999914	7.65676021588477	7.65676021588477	7.65676021588477	7.65676021588477	8.345971492394142	8.345971492394142	25.469999999999914	25.469999999999914	25.469999999999914	67.43103136350938		-1.0623221821055169	-1.2393758791231029	67.25397766649179													25.469999999999914
1314. Ni	Ni			1385	1314		1429																0																																																		0				Ni																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1314. Ni																																											0
1315. Ni (cr)	Ni (cr)	Ni cr	Ni	1386	1315	Ni cr	1430				0	0	0	0	0	0	0	0	Ni	0	0	0	0		-	0		-	-	-	-	-	-		-	-	-	0	-		-	-	-	0	0	-		-	0	-	-	-		-	-	-	-	3.593	-	-	29.87386418702459	29.87386418702459	29.87	-	-	-	-	1	0	0	0	-	0				Ni (cr)	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							1315. Ni (cr)	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	0	0	0	0	0	0		0	0	0													0
1316. Ni2+	Ni2+	Ni2+	Ni +2	1387	1316	Ni2+	1431				0	0	0	0	0	0	0	2	Ni +2	-2	-2	-2	0	-	-	-45.6		-	-45.6	-	-	-	-		-	-	-	-45.6	-		-	-	-	-54	-54	-		-	-54	-	-	-		-	-	-	-	-	-	-	-	-	-128.9	-	-128.9	-	-	0.001	-17.813239784115144	-45.6	-45.6	ZG	0				Ni2+	-54	ZG	-66.03690130823475	-66.03690130823475	-66.03690130823475	-48.83875570505674	-48.83875570505674		-100	-48.83875570505674	-48.83875570505674	-3.238755705056737	-65.96278421266251											-66.03690130823475	-66.03690130823475		-66.03690130823475	-66.03690130823475		-45.26191514338421	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-45.26191514338421	-45.26191514338421	-48.2236615241196	-48.2236615241196	-48.2236615241196	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-45.6	-48.83875570505674	-66.03690130823475	-66.03690130823475	-48.83875570505674		-				-	1316. Ni2+	-45.6	ZG	-48.83875570505674	-48.83875570505674	-48.83875570505674	-48.83875570505674	0.35214135485022846	-48.83875570505674	-48.83875570505674	-48.83875570505674	-48.83875570505674	-48.83875570505674	-48.83875570505674	-48.83875570505674	-48.838699761078814	-48.838699761078814	-48.838699761078814	-48.838699761078814	-48.838699761078814	-48.83875570505674	-48.6700353090203	-48.70246805487369	-48.83875570505674	-48.669974979600596	-48.702408625193385	-48.83875570505674	-48.83875570505674	-48.83875570505674	-65.96278421266251	-65.51206090655678	-65.51206090655678	-65.7634742647176	-48.83875570505674	-48.83875570505674	-65.96278421266251	-65.51206090655678	-65.51206090655678	-65.76347426471759	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	0	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-64.44589585061466	-64.86813438400037	-65.29596220472529	-65.51206090655678	-65.72966350068329	-66.03690130823475	-66.16952245976825	-66.61582326987401	-67.06885011889449	-67.99621868525495	-68.95390166200058	-64.44589585061466	-64.86813438400037	-65.29596220472529	-65.51206090655678	-65.72966350068329	-66.03690130823475	-66.16952245976825	-66.61582326987401	-67.06885011889447	-67.99621868525495	-63.075154927499355	-65.67600925923192	-66.03690130823475	-66.30397948275004	-66.51570783898885	-63.075154927499355	-65.67600925923192	-66.03690130823475	-66.30397948275004	-66.51570783898883	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-66.03690130823475	-65.7634217634789	-48.702408625193385	-48.702408625193385	-66.51564840930853	-66.30392371031577	-66.03685014912018	-63.075154927499355	-65.7634217634789	-65.7634217634789	-48.838699761078814	-48.838699761078814	-48.838699761078814	-45.97012993145455		-0.7082147880703444	-0.7082147880703444	-45.97012993145455													-45.6
1317. Nitrate (NO3-)	Nitrate (NO3-)			1345	1317		1395																0																																																		0				Nitrate (NO3-)																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1317. Nitrate (NO3-)																																											0
1318. nitrate11: - -species	nitrate11: - -species	nitrate- -species	NO3 -	1346	1318	nitrate- -species	1396				0	0	1	3	0	0	0	-1		-8	-8	0	62.01		-	-		-111.34	-111.3	-	-	-	-26.41	-110.49944	-	-	-	-	-110.794		-	-	-	-207.4	-	-		-206.85	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-111.34	-111.34	T	-115.06	-27.5	3.719999999999999		nitrate11: - -species	-205	AZ	330.26495777400265	330.23638265134815	330.23638265134815	-112.14968892626419	-112.14968892626419		-100	-112.14968892626419	-112.14968892626419	-0.8096889262641842	-129.27371743386996											330.26495777400265	330.26495777400265		330.26495777400265	259.75488709651097		-107.57035384873387	366.600820760102	330.97434119187176	295.3478616236415	259.72138205541114	224.0949024871809	188.46842291895052	152.84194335072021	-107.57035384873387	-107.57035384873387	-108.31079044391772	-108.31079044391772	348.0496224354633	330.23638265134815	330.23638265134815	330.23638265134815	330.23638265134815	-2.7046450475438064	259.72138205541114	-111.34	354.89286116427456	330.23638265134815	330.23638265134815	-112.14968892626419							1318. nitrate11: - -species	-111.34	T	-112.14968892626419	-112.14968892626419	-112.14968892626419	-112.14968892626419	-3.944858438182064	-112.14968892626419	-112.14968892626419	-112.14968892626419	-112.14968892626419	-112.14968892626419	-112.14968892626419	-112.14968892626419	-112.1496749402697	-112.1496749402697	-112.1496749402697	-112.1496749402697	-112.1496749402697	-112.14968892626419	-107.50110265586484	-108.43049207660624	-112.14968892626419	-107.50108757350992	-108.43047721918617	-112.14968892626419	-112.14968892626419	359.7509108058929	342.6268822982871	342.7395631248135	342.7194634732222	342.656610133682	-112.14968892626419	359.7509108058929	342.6268822982871	342.7395631248135	342.7194634732222	342.656610133682	330.2572912776807	330.23638265134815	330.2572912776807	330.23638265134815	-106.85086358203637	437.115821356039	401.48934178780877	365.8628622195785	330.23638265134815	294.6099030831179	258.98342351488753	223.35694394665725	437.115821356039	401.48934178780877	365.8628622195785	330.23638265134815	294.6099030831179	258.98342351488753	223.35694394665725	368.7190687402378	358.3202835056794	347.92010094928594	342.7194634732222	337.5184500240845	330.23638265134815	327.11525968310116	316.71045887936265	306.3039765658955	285.4856832218809	264.6598112752704	368.7190687402378	358.3202835056794	347.920100949286	342.7194634732222	337.5184500240845	330.23638265134815	327.11525968310116	316.71045887936265	306.30397656589554	285.4856832218809	330.976819246532	330.32660566359885	330.23638265134815	330.16961310771933	330.1166810186596	330.976819246532	330.32660566359885	330.23638265134815	330.16961310771933	330.1166810186596	330.23638265134815	330.23638265134815	330.23638265134815	330.23638265134815	330.23638265134815	330.23638265134815	330.23638265134815	330.23638265134815	330.23638265134815	330.23638265134815	342.6097240719451	-108.43047721918617	347.8811488654187	330.0679090813036	330.1208402560518	330.18760864635067	330.9280324517559	342.6097240719451	342.6097240719451	-112.1496749402697	-112.1496749402697	354.8258763116312
1319. nitrate20	nitrate20			1347	1319		1397																0																																																		0				nitrate20																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1319. nitrate20																																											0
1320. nitrate21: - -species	nitrate21: - -species	nitrate- -species	NO3 -	1348	1320	nitrate- -species	1398				0	0	1	3	0	0	0	-1		-8	-8	0	62.01		-	-108.74		-111.34	-111.3	-	-	-	-26.41	-110.49944	-	-	-	-	-110.794		-108.74	-	-	-207.4	-205	-		-206.85	-	-	-	-	-	-205	-	-	-	-	-	-	-	-	146.4	-	-	-	-	0.001	-17.813239784115144	-108.74	-108.74	AZ	0				nitrate21: - -species	-205	AZ	332.96960308676466	332.94102796411016	332.94102796411016	-109.54968892626418	-109.54968892626418		-100	-109.54968892626418	-109.54968892626418	-0.8096889262641842	-126.67371743386995	352.8639158510331	19.89431276426842	2241.206873868312	2241.2073200564846							332.96960308676466	332.96960308676466		332.96960308676466	262.459532409273		-104.86570853597183	369.305466072864	333.67898650463377	298.0525069364035	262.42602736817315	226.7995477999429	191.17306823171253	155.54658866348223	-104.86570853597183	-104.86570853597183	-105.60614513115569	-105.60614513115569	350.7542677482253	332.94102796411016	332.94102796411016	332.94102796411016	332.94102796411016	2.652182047313545E-7	262.42602736817315	-108.74	357.49286116427453	332.94102796411016	332.94102796411016	-109.54968892626418							1320. nitrate21: - -species	-108.74	AZ	-109.54968892626418	-109.54968892626418	-109.54968892626418	-109.54968892626418	-4.039439055923565	-109.54968892626418	-109.54968892626418	-109.54968892626418	-109.54968892626418	-109.54968892626418	-109.54968892626418	-109.54968892626418	-109.5496749402697	-109.5496749402697	-109.5496749402697	-109.5496749402697	-109.5496749402697	-109.54968892626418	-104.77029601491229	-105.7258467638442	-109.54968892626418	-104.77028093255737	-105.72583190642413	-109.54968892626418	-109.54968892626418	362.35091080589285	345.2268822982871	345.33956312481354	345.31946347322224	345.25661013368205	-109.54968892626418	362.35091080589285	345.2268822982871	345.33956312481354	345.31946347322224	345.25661013368205	332.9619365904427	332.94102796411016	332.9619365904427	332.94102796411016	-106.85086358203637	439.82046666880103	404.1939871005708	368.5675075323405	332.94102796411016	297.3145483958799	261.68806882764954	226.06158925941926	439.82046666880103	404.1939871005708	368.5675075323405	332.94102796411016	297.3145483958799	261.68806882764954	226.06158925941926	371.10105767198354	360.78947686472685	350.4764987356351	345.31946347322224	340.16205223773534	332.94102796411016	329.8460663240537	319.5284699476169	309.2091920614514	288.56530757204024	267.91384448003316	371.10105767198354	360.78947686472685	350.4764987356352	345.31946347322224	340.16205223773534	332.94102796411016	329.8460663240537	319.5284699476169	309.20919206145146	288.56530757204024	333.681464559294	333.03125097636087	332.94102796411016	332.87425842048134	332.8213263314217	333.681464559294	333.03125097636087	332.94102796411016	332.87425842048134	332.8213263314217	332.94102796411016	332.94102796411016	332.94102796411016	332.94102796411016	332.94102796411016	332.94102796411016	332.94102796411016	332.94102796411016	332.94102796411016	332.94102796411016	345.20972407194506	-105.72583190642413	350.5857941781808	332.77255439406565	332.8254855688138	332.89225395911274	333.6326777645179	345.20972407194506	345.20972407194506	-109.5496749402697	-109.5496749402697	357.4258763116312	-105.04276223298942		-0.1770536970175861	-0.1770536970175861	-105.04276223298942											0.001		-108.74
1321. nitrate22: nitric acid -species (ai)	nitrate22: nitric acid -species (ai)	nitric acid -species (ai)	HNO3	1349	1321	nitric acid -species (ai)	1399				0	1	1	3	0	0	0	0		-8	-8	0	63.01		-	-111.25		-	-	-	-	-	-		-	-	-	-	-		-111.25	-	-	-	-207.36	-		-	-	-	-	-		-207.36	-	-	-	-	-	-	-	-	146.4	-	-	-	-	0.001	-17.813239784115144	-111.25	-111.25	AZ	0				nitrate22: nitric acid -species (ai)	-207.36	AZ	372.7582286153015	372.729653492647	372.729653492647	-70.48339613289318	-70.48339613289318		-100	-70.48339613289318	-70.48339613289318	0	-88.41796198985897		-19.89431276426842	4.4618817283654177E-4								372.7582286153015	372.7582286153015		372.7582286153015	302.2481579378098		-107.38174576555424	391.2808518172857	361.5921188437605	331.90338587023524	302.21465289671	272.52591992318474	242.83718694965944	213.14845397613425	-107.38174576555424	-65.81751960261889	-65.81751960261889	-65.81751960261889	390.54289327676213	372.729653492647	372.729653492647	372.729653492647	372.729653492647	39.788625793755045	302.21465289671	-111.25	396.55829154855525	372.729653492647	372.729653492647	-70.48425854198348							1321. nitrate22: nitric acid -species (ai)	-111.25	AZ	-87.60828704958925	-81.90027754705399	-76.19226804451873	-70.48425854198348	-6.288531600190851	-64.7762490394482	-59.068239536912955	-53.36023003437769	-70.4842585419835	-64.77624903944823	-53.36023003437769	-59.06823953691298	-81.900277547054	-76.19226804451876	-70.4842585419835	-64.77624903944823	-59.06823953691298	-70.48339613289318	-63.57527087011776	-64.9573962321666	-71.2939334822532	-63.57527087011776	-64.9573962321666	-71.2939334822532	-71.2939334822532	400.60666624990387	383.4826377422981	383.4826377422981	383.4625380907068	383.4625380907068	-71.2939334822532	400.60666624990387	383.4826377422981	383.4826377422981	383.4625380907068	383.4625380907068	372.7505621189795	372.729653492647	372.7505621189795	372.729653492647	-89.03762379792119	461.7958524132227	432.1071194396975	402.41838646617225	372.729653492647	343.04092051912176	313.35218754559645	283.66345457207126	461.7958524132227	432.1071194396975	402.41838646617225	372.729653492647	343.04092051912176	313.35218754559645	283.66345457207126	405.82271433666443	396.8786438382814	387.9345733398982	383.4625380907068	378.99050284151514	372.729653492647	370.046432343132	361.10236184474894	352.1582913463659	334.27015034959925	316.3820093528331	405.82271433666443	396.8786438382814	387.93457333989824	383.4625380907068	378.99050284151514	372.729653492647	370.046432343132	361.10236184474894	352.1582913463659	334.27015034959925	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	372.729653492647	383.4156389036602	-65.81751960261889	390.494106481986	372.6808666978709	372.6808666978709	372.6808666978709	372.6808666978709	383.4156389036602	383.4156389036602	-76.19226804451876	-76.19226804451876	396.49129270991745	-66.38090250078517		0.1770536970175861	0	-66.55795619780275											0.001		-111.25
1322. nitrate23: -blend	nitrate23: -blend	nitrate-reactant		1350	1322	nitrate-reactant	1400				0	?	1	3	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	AZ	0				nitrate23: -reactant	-	AZ						-109.55										332.969602573381					332.969602573381		332.969602573381		332.969602573381	262.4595318958893		-108.14839002535015	369.3051158719253	333.6789545821269	298.05250402668264	262.42602710295495	226.79954777576853	191.17306822950906	155.5465886632814	-108.14839002535015	-104.86570889350986	-105.60614539637392	-105.60614539637392	350.7542674830071	332.94102769889196	332.94102769889196	332.94102769889196	332.94102769889196	0	262.42602710295495	-112.01825166330401	357.4928608092146	332.94102769889196	332.94102769889196	-109.5496892813241	0.999997163681644	-109.5	-1.253425017782138E-4	0.02004443027077239	0.0201697727725506	-109.4	1322. nitrate23: -reactant	-	AZ	-109.55004396079808	-109.5497244320058	-109.54969247686122	-109.5496892813241	-4.039439041386174	-109.54968896177017	-109.54968892981478	-109.54968892661924	-109.5496892813241	-109.54968896177017	-109.54968892661924	-109.54968892981478	-109.54971044621163	-109.54967849088678	-109.54967529533164	-109.5496749757759	-109.54967494382032	-109.54968928120061	-104.77029616530017	-105.72584694247053	-109.54968941847434	-104.77028108294616	-105.72583208505154	-109.54968941847434	-109.54968941847434	362.3509103136827	345.2268818060769	345.3395626097137	345.3194629581224	345.2566096314783	-109.54968941847434	362.3509103136827	345.2268818060769	345.3395626097137	345.3194629581224	345.2566096314783	332.9619363252245	332.94102769889196	332.9619363252245	332.94102769889196	-106.85051389448131	439.8201164678623	404.1939551780639	368.56750462261965	332.94102769889196	297.31454837170554	261.68806882544607	226.0615892592184	439.8201164678623	404.1939551780639	368.56750462261965	332.94102769889196	297.31454837170554	261.68806882544607	226.0615892592184	371.10105562413537	360.7894756851659	350.4764980565907	345.3194629581224	340.16205184705757	332.94102769889196	329.8460660994228	319.52846981854304	309.2091919873353	288.565307547655	267.91384447203455	371.10105562413537	360.7894756851659	350.47649805659074	345.3194629581224	340.16205184705757	332.94102769889196	329.8460660994228	319.52846981854304	309.20919198733543	288.565307547655	333.68146420175594	333.03125070131205	332.94102769889196	332.8742581623113	332.8213260787058	333.68146420175594	333.03125070131205	332.94102769889196	332.8742581623113	332.8213260787058	332.94102769889196	332.94102769889196	332.94102769889196	332.94102769889196	332.94102769889196	332.94102769889196	332.94102769889196	332.94102769889196	332.94102769889196	332.94102769889196	345.2097235697386	-105.72583215914153	350.58579392546335	332.7725541413482	332.8254853106423	332.89225369389317	333.63267740697984	345.2097235697386	345.2097235697386	-109.54967849088678	-109.54967849088678	340.3018474489635		-104.77														0.001		-
1323. nitrate24: nitric acid -species (ai)	nitrate24: nitric acid -species (ai)	nitric acid -species (ai)	HNO3	1351	1323	nitric acid -species (ai)	1401				0	1	1	3	0	0	0	0		-5	-5	-5	63.01	-108.7	-	-111.25		-	-	-	-	-	-		-	-	-	-	-		-111.25	-	-	-	-207.36	-		-	-	-	-	-		-207.36	-	-	-	-	-	-	-	-	146.4	-	-	-	-	0.001	-17.813239784115144	-108.7	-108.7	E	0				nitrate24: nitric acid -species (ai)	-207.36	AZ	375.4108615182027																					375.4108615182027	375.4108615182027		375.4108615182027	304.900790840711		-104.72911286265303	393.93348472018687	364.2447517466617	334.5560187731365	304.8672857996112	275.178552826086	245.48981985256063	215.80108687903544	-104.72911286265303	-63.16488669971768	-63.16488669971768	-63.16488669971768	393.1955261796633	375.3822863955482	375.3822863955482	375.3822863955482	375.3822863955482	42.441258696656234	304.8672857996112	-108.7	399.10829154855526			-67.93425854198347							1323. nitrate24: nitric acid -species (ai)	-108.7	E	-85.05828704958925	-79.35027754705399	-73.64226804451874	-67.93425854198347	-6.526090511258002	-62.22624903944821	-56.51823953691296	-50.810230034377696			-50.810230034377696																														375.4108615182027															408.15889578895354	399.3003527096549	390.44180963035603	386.0125380907068	381.5832665510573	375.3822863955482	372.7247234717585	363.8661803924598	355.0076373131611	337.2905511545632	319.57346499596576
1324. NITRITE (NO2-)	NITRITE (NO2-)			1352	1324		1402																0																																																		0				NITRITE (NO2-)																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1324. NITRITE (NO2-)																																											0
1325. nitrite11: nitrite- -species	nitrite11: nitrite- -species	nitrite- -species	NO2 -	1353	1325	nitrite- -species	1403				0	0	1	2	0	0	0	-1		-6	-6	2	46.01		-	-32.2		-37.2	-32.2	-	-	-	-8.25	-34.518	-	-	-	-	-		-32.2	-	-	-104.6	-104.6	-		-	-	-	-	-	-	-104.6	-	-	-	-	-	-	-	-	123	-	-	-	-	0.001	-17.813239784115144	-32.2	-32.2	AZ	-29.288	-7	-2.9120000000000026		nitrite11: nitrite- -species	-104.6	AZ	256.41961843384183	256.4005683520721	256.4005683520721	-33.00968892626419	-33.00968892626419		-100	-33.00968892626419	-33.00968892626419	-0.8096889262641842	-50.13371743386996	268.2954782381907	11.875859804348863	100.01421788702152	100.02421646543493							256.41961843384183	256.41961843384183		256.41961843384183	185.90954775635015		-29.286030521549563	257.13852689259573	233.38754051377555	209.63655413495536	185.88556775613512	162.13458137731493	138.3835949984947	114.63260861967449	-29.286030521549563	-29.286030521549563	-30.02646711673341	-30.02646711673341	274.21380813618725	256.4005683520721	256.4005683520721	256.4005683520721	256.4005683520721	-76.54045934681983	185.88556775613512	-32.2	278.352011134095	256.4005683520721	256.4005683520721	-33.00968892626419							1325. nitrite11: nitrite- -species	-32.2	AZ	-33.00968892626419	-33.00968892626419	-33.00968892626419	-33.00968892626419	-8.768010750014106	-33.00968892626419	-33.00968892626419	-33.00968892626419	-33.00968892626419	-33.00968892626419	-33.00968892626419	-33.00968892626419	-33.009674940269704	-33.009674940269704	-33.009674940269704	-33.009674940269704	-33.009674940269704	-33.00968892626419	-29.43069849688446	-30.146168749421932	-33.00968892626419	-29.430683414529536	-30.14615389200186	-33.00968892626419	-33.00968892626419	281.59071089517386	264.4666823875681	264.5793632140945	264.56596344636694	264.50311010682674	-33.00968892626419	281.59071089517386	264.4666823875681	264.5793632140945	264.56596344636694	264.50311010682674	256.41450743629383	256.4005683520721	256.41450743629383	256.4005683520721	-71.23390905469091	327.65352748853275	303.90254110971256	280.15155473089237	256.4005683520721	232.64958197325194	208.8985955944317	185.1476092156115	327.65352748853275	303.90254110971256	280.15155473089237	256.4005683520721	232.64958197325194	208.8985955944317	185.1476092156115	281.5703901142593	274.7696763193502	267.9675652026061	264.56596344636694	261.1639857170539	256.4005683520721	254.35886681571992	247.55213745163076	240.7437265778129	227.12157611309706	213.49184704578522	281.5703901142593	274.7696763193502	267.9675652026061	264.56596344636694	261.1639857170539	256.4005683520721	254.35886681571992	247.55213745163076	240.7437265778129	227.12157611309706	257.14100494725596	256.49079136432283	256.4005683520721	256.3337988084433	256.2808667193836	257.14100494725596	256.49079136432283	256.4005683520721	256.3337988084433	256.2808667193836	256.4005683520721	256.4005683520721	256.4005683520721	256.4005683520721	256.4005683520721	256.4005683520721	256.4005683520721	256.4005683520721	256.4005683520721	256.4005683520721	264.4718571074387	-30.14615389200186	274.0615968310681	256.24835704695295	256.30128822170116	256.36805661200003	257.10848041740525	264.4718571074387	264.4718571074387	-33.009674940269704	-33.009674940269704	278.3073592276643	-29.46308421856715		-0.1770536970175861	-0.1770536970175861	-29.46308421856715											0.001		-32.2
1326. nitrite12: nitrous acid -species (aI)	nitrite12: nitrous acid -species (aI)	nitrous acid -species (aI)	HNO2	1354	1326	nitrous acid -species (aI)	1404				0	1	1	2	0	0	0	0		-6	-6	2	47.01		-	-50.6		-	-	-	-	-	-		-	-	-	-	-		-50.6	-	-	-	-119.2	-		-	-	-	-	-		-119.2	-	-	-	-	-	-	-	-	135.6	-	-	-	-	0.001	-17.813239784115144	-50.6	-50.6	AZ	0				nitrite12: nitrous acid -species (aI)	-119.2	AZ	280.17133804253956	280.15228796076985	280.15228796076985	-9.833396132893185	-9.833396132893185		-100	-9.83339613289318	-9.83339613289318	0	-27.767961989858968		-11.875859804348863	0.009998578413417423								280.17133804253956	280.17133804253956		280.17133804253956	209.66126736504788		-47.838973670970994	263.07700671717834	245.2637669330632	227.45052714894803	209.63728736483284	191.82404758071777	174.01080779660253	156.1975680124874	-47.838973670970994	-6.274747508035645	-6.274747508035645	-6.274747508035645	297.965527744885	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	-52.7887397381221	209.63728736483284	-50.6	301.52744151837567	280.15228796076985	280.15228796076985	-9.834258541983473							1326. nitrite12: nitrous acid -species (aI)	-50.6	AZ	-26.958287049589252	-21.250277547053994	-15.542268044518735	-9.834258541983473	-29.48931994684286	-4.126249039448211	1.5817604630870434	7.289769965622305	-9.834258541983495	-4.126249039448233	7.289769965622305	1.5817604630870221	-21.250277547054008	-15.54226804451875	-9.834258541983495	-4.126249039448233	1.5817604630870221	-9.833396132893185	-4.3093057518886795	-5.414624137583353	-10.643933482253196	-4.3093057518886795	-5.414624137583353	-10.643933482253196	-10.643933482253196	303.95646633918483	286.83243783157906	286.83243783157906	286.8190380638515	286.8190380638515	-10.643933482253196	303.95646633918483	286.83243783157906	286.83243783157906	286.8190380638515	286.8190380638515	280.16622704499156	280.15228796076985	280.16622704499156	280.15228796076985	-53.420669270575786	333.59200731311535	315.7787675290002	297.96552774488504	280.15228796076985	262.3390481766548	244.52580839253957	226.71256860842442	333.59200731311535	315.7787675290002	297.96552774488504	280.15228796076985	262.3390481766548	244.52580839253957	226.71256860842442	300.7081007786048	295.1524756927035	289.59685060680204	286.8190380638515	284.0412255209008	280.15228796076985	278.48560043499947	272.9299753490982	267.3743502631969	256.263100091394	245.1518499195914	300.7081007786048	295.1524756927035	289.5968506068021	286.8190380638515	284.0412255209008	280.15228796076985	278.48560043499947	272.9299753490982	267.3743502631969	256.263100091394	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	280.15228796076985	286.7877719391538	-6.274747508035645	297.93300321503426	280.11976343091914	280.11976343091914	280.11976343091914	280.11976343091914	286.7877719391538	286.7877719391538	-15.54226804451875	-15.54226804451875	301.48277562595047	-6.838130406201911		0.1770536970175861	0	-7.015184103219497											0.001		-50.6
1327. nitrite13: nitrite-blend	nitrite13: nitrite-blend	nitrite-reactant		1355	1327	nitrite-reactant	1405				0	?	1	2	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	-	0				nitrite13: nitrite-reactant	-	-						-33.01										256.4193606469818					256.4193606469818		256.4193606469818		256.4193606469818	185.9092899694901		-47.840366224813735	256.922345616213	233.36703612615258	209.63467814024114	185.88539670231808	162.13456578544543	138.38359357730764	114.6326084901347	-47.840366224813735	-29.286261114716304	-30.02663817055044	-30.02663817055044	274.2136370823702	256.4003972982551	256.4003972982551	256.4003972982551	256.4003972982551	-76.54063040063687	185.88539670231808	-50.60148114888249	278.35179531475876	256.4003972982551	256.4003972982551	-33.00990474560042	0.9999971143774743	-33	-3.842519190032839E-5	0.003995529362609219	0.004033954554509547	-33.1	1327. nitrite13: nitrite-reactant	-	-	-33.216634210009076	-33.031178386268735	-33.011846274571795	-33.00990474560042	-8.767952153244472	-33.00971050904335	-33.00969108455056	-33.00968914209291	-33.00990474560042	-33.00971050904335	-33.00968914209291	-33.00969108455057	-33.0311645209917	-33.01183230074356	-33.00989076082352	-33.00969652317064	-33.009677098568254	-33.00990467053495	-29.430796939417153	-30.146283956655452	-33.009988105854276	-29.430781857661156	-30.146269099925853	-33.009988105854276	-33.009988105854276	281.5904117155838	264.466383207978	264.57905012238285	264.5656503546553	264.50280485320263	-33.009988105854276	281.5904117155838	264.466383207978	264.57905012238285	264.5656503546553	264.50280485320263	256.4143363824768	256.4003972982551	256.4143363824768	256.4003972982551	-71.01798556516826	327.43734621215003	303.8820367220896	280.14967873617815	256.4003972982551	232.64956638138247	208.89859417324467	185.14760908607172	327.43734621215003	303.8820367220896	280.14967873617815	256.4003972982551	232.64956638138247	208.89859417324467	185.14760908607172	281.56929011906203	274.7690105884327	267.96716253483925	264.5656503546553	261.1637423125189	256.4003972982551	254.35871977579876	247.5520486836422	240.7436730251724	227.12155666428063	213.49184000411225	281.56929011906203	274.7690105884327	267.96716253483925	264.5656503546553	261.1637423125189	256.4003972982551	254.35871977579876	247.5520486836422	240.7436730251724	227.12155666428063	257.1407743540892	256.4906139704553	256.4003972982551	256.33363230023406	256.28070372874646	257.1407743540892	256.4906139704553	256.4003972982551	256.33363230023406	256.28070372874646	256.4003972982551	256.4003972982551	256.4003972982551	256.4003972982551	256.4003972982551	256.4003972982551	256.4003972982551	256.4003972982551	256.4003972982551	256.4003972982551	264.4715518521985	-30.146316883615818	274.06143383945414	256.248194055339	256.3011217125554	256.3678855573005	257.1082498242385	264.4715518521985	264.4715518521985	-33.01183230074356	-33.01183230074356	261.1831148995047		-29.45														0.001		-
1328. nitrite14: nitrous acid -species ?	nitrite14: nitrous acid -species ?	nitrous acid -species ?	HNO2	1356	1328	nitrous acid -species ?	1406				0	1	1	2	0	0	0	0		-3	-3	-3	47.01	-73.7	-	-50.6		-	-	-	-	-	-		-	-	-	-	-		-50.6	-	-	-	-119.2	-		-	-	-	-	-		-119.2	-	-	-	-	-	-	-	-	135.6	-	-	-	-	0.001	-17.813239784115144	-73.7	-73.7	E	0				nitrite14: nitrous acid -species ?	-119.2	<AZ	256.1416046868461																					256.1416046868461	256.1416046868461		256.1416046868461	185.63153400935443		-71.86870702666444	239.04727336148488	221.23403357736976	203.42079379325463	185.6075540091394	167.79431422502427	149.98107444090908	132.16783465679396	-71.86870702666444	-30.30448086372909	-30.30448086372909	-30.30448086372909	273.9357943891915	256.1225546050764	256.1225546050764	256.1225546050764	256.1225546050764	-76.81847309381556	185.6075540091394	-73.7	278.4274415183757			-32.934258541983475							1328. nitrite14: nitrous acid -species ?	-73.7	E	-50.058287049589254	-44.35027754705399	-38.64226804451874	-32.934258541983475	-8.777360597334399	-27.226249039448213	-21.518239536912958	-15.810230034377696			-15.810230034377696																														256.1416046868461															279.5450452696328	273.2146423873203	266.8842395050077	263.7190380638515	260.5538366226952	256.1225546050764	254.2234337403827	247.89303085807018	241.56262797575764	228.90182221113238	216.2410164465074
1329. NMN	NMN			1388	1329		1432																0																																																		0				NMN																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1329. NMN																																											0
1330. NMN11: nicotinamideribonucleotide-species +	NMN11: nicotinamideribonucleotide-species +	nicotinamideribonucleotide-species +1	C11H16N2O8P 1+	1389	1330	nicotinamideribonucleotide-species +1	1433				11	16	2	8	1	0	0	1	at odds with Alberty p393	-6	38	54	335.1	-1521.2	-	-		-	-	-	-	-	-		-	-	-	-	-		840.08	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1521.2	-1521.2	E	0				NMN11: nicotinamideribonucleotide-species +	-1901.5	'=1.25*BZ1368	357.617632967736																					357.617632967736	357.617632967736		357.617632967736	1815.3357400500336		-1505.893610598692	865.4877290018338	1163.793217659726	1472.838997765725	1814.9067937927975	2178.9331318493078	2549.6149686009007	2938.4653278727037	-1505.893610598692	-840.8659919917264	-841.6064285869103	-841.6064285869103	375.3546724247723	357.54143264065715	817.4449858084398	817.4449858084398	1955.9367949846715	1290.0547395868875	1814.9067937927975	-1521.2	376.4986635697011			-868.9481366717356		-845.9				-847.5	1330. NMN11: nicotinamideribonucleotide-species +	-1521.2	E	-1143.7422817196923	-1052.414129679128	-961.0859776385639	-869.7578255979997	-1.4111692041653743	-778.4296735574355	-687.1015215168715	-595.7733694763073			-595.7733694763073																														357.617632967736															360.87262155203774	359.9742409600494	359.0744630462257	358.6240278914472	358.1732167635948	357.54143264065715	357.27043106518136	356.3660349040128	355.4599572331159	353.6424731742406	351.8174105127707
1331. NMN12: nicotinamideribonucleotide-species - Alberty had wrong charge, neglecting the N+ in the ring.	NMN12: nicotinamideribonucleotide-species - Alberty had wrong charge, neglecting the N+ in the ring.	nicotinamideribonucleotide-species 1-	C11H14N2O8P 1-	1390	1331	nicotinamideribonucleotide-species 1-	1434				11	14	2	8	1	0	0	-1	at odds with Alberty p393	-2	42	58	333.1																																													0.001	-17.813239784115144	-840.08	-840.08	A	0				NMN12: nicotinamideribonucleotide-species - Alberty had wrong charge, neglecting the N+ in the ring.	-1050.1000000000001	'=1.25*BZ1369	948.7557176198965	948.6795172928176	2651.976986645284	-270.1572347867688	1407.5736984344387		-100	-270.15723478676887	1407.5736984344387	-0.8096889262641842	1379.1021470357928	988.1031085327477	39.34739091285121	4233053.714353851	4233053.714354088							948.7557176198965	948.7557176198965		948.7557176198965	2406.473824702194		-831.6270736206608	1492.2522932222246	1778.6822886907066	2075.852575607296	2406.044878444958	2758.1957233120584	3117.002066874241	3493.9769329566334	-831.6270736206608	-249.72790733956595	-250.46834393474978	-250.46834393474978	966.4927570769328	948.6795172928176	1408.5830704606003	1408.5830704606003	2547.074879636832	1881.1928242390482	2406.044878444958			2651.976986645284	2651.976986645284			-845.9				-847.5	1331. NMN12: nicotinamideribonucleotide-species - Alberty had wrong charge, neglecting the N+ in the ring.	-840.08	A	-509.90570762051374	-429.99357458502016	-350.0814415495265	-270.16930851403293	-4.511707983553642	-190.2571754785393	-110.34504244304566	-30.432909407552014	1407.5616247071744	1487.4737577426679	-30.432909407552014	1567.3858907781616	1247.737414580165	1327.6495476156588	1407.5616806511523	1487.4738136866458	1567.3859467221396	1407.5736984344387	1478.6037492324572	1464.3920460732945	1396.2261755433985	1478.603809561877	1464.3921055029748	1396.2261755433985	1396.2261755433985	2654.6277748291504	2637.5037463215444	2637.9544696276503	2637.9008705567403	2637.6494571985795	1396.2261755433985	2654.6277748291504	2637.503746321545	2637.9544696276507	2637.9008705567403	2637.6494571985795	2652.032742982171	2651.976986645284	2652.032742982171	2651.976986645284	-1738.8477485936182	2687.603466213515	2675.7279730241044	2663.852479834695	2651.976986645284	2640.1014934558743	2628.226000266464	2616.350507077054	2687.603466213515	2675.7279730241044	2663.852479834695	2651.976986645284	2640.1014934558743	2628.226000266464	2616.350507077054	983.0592016672647	973.7693358149882	964.4780726408763	959.8318948559536	955.1853410979569	948.6795172928176	945.8910701392554	936.5951887177986	927.2976257866134	908.697171207162	890.0891380251153	2608.548376258054	2620.2936014665192	2632.0332373876463	2637.9008705567403	2643.7669998335396	2651.976986645284	2655.4946046163063	2667.215767548052	2678.930204440883	2702.337763358224	2654.9387330260192	2652.337878694287	2651.976986645284	2651.709908470769	2651.49818011453	2654.9387330260192	2652.337878694287	2651.976986645284	2651.709908470769	2651.49818011453	2651.976986645284	2651.976986645284	2651.976986645284	2651.976986645284	2651.976986645284	2651.976986645284	2651.976986645284	2651.976986645284	2651.976986645284	2651.976986645284	2637.5244452010274	1452.3503783166427	2669.181381208922	2651.368141424807	2651.5798661238	2651.8469396849955	2654.8086349066166	2637.5244452010274	2637.5244452010274	1330.0785724364678	1330.0785724364678	2655.258842143697	-257.7923216109112		2.301698061228619	-0.1770536970175861	-260.27107336915736											0.001		-840.08
1332. NMN13: nicotinamideribonucleotide-species (NMN) 0	NMN13: nicotinamideribonucleotide-species (NMN) 0	nicotinamideribonucleotide-species 0	C11H15N2O8P 0	1391	1332	nicotinamideribonucleotide-species 0	1435	C00455	1094-61-7	16171	11	15	2	8	1	0	0	0	at odds with Alberty p394	-2	42	58	334.1		-	-		-	-	-	-	-	-		-	-	-	-	-		803.32	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-803.32	-803.32	A	0				NMN13: nicotinamideribonucleotide-species (NMN) 0	-1004.1500000000001	'=1.25*BZ1370	1027.450499445599	1027.3742991185202	2657.5229988641045	-191.8209419933978	1414.009369080338		-100	-191.82094199339778	1414.009369080338	0	1384.7272803323322		-39.347390912851324	2.3623607624185304E-7								1027.450499445599	1027.450499445599		1027.450499445599	2485.1686065278964		-795.2369545530773	1553.133835263812	1845.501577326999	2148.609610838293	2484.7396602706604	2842.828251732466	3207.572341889354	3590.484954566451	-795.2369545530773	-171.77356210904713	-171.77356210904713	-171.77356210904713	1045.1875389026354	1027.3742991185202	1487.2778522863027	1487.2778522863027	2625.7696614625347	1959.8876060647506	2484.7396602706604	-803.32	1052.8032331854204	2657.5229988641045	2657.5229988641045	1413.9964329439836							1332. NMN13: nicotinamideribonucleotide-species (NMN) 0	-803.32	A	-448.6943057438388	-363.07416320580995	-277.45402066778104	-191.83387812975218	-6.355938739614357	-106.21373559172321	-20.59359305369435	65.02654948433451	1413.9964329439836	1499.6165754820122	65.02654948433451	1585.2367180200413	1242.75616185392	1328.376304391949	1413.996446929978	1499.6165894680066	1585.2367320060357	1414.009369080338	1485.453236942042	1471.157286560633	1401.851308839938	1485.453252024397	1471.157301418053	1401.851308839938	1401.851308839938	2660.25290812569	2643.128879618084	2643.2415604446105	2643.1879613737005	2643.1251080341603	1401.851308839938	2660.25290812569	2643.1288796180843	2643.2415604446105	2643.187961373701	2643.125108034161	2657.5787552009915	2657.5229988641045	2657.5787552009915	2657.5229988641045	-1647.885739202621	2675.33623864822	2669.398492053515	2663.46074545881	2657.5229988641045	2651.5852522694	2645.6475056746945	2639.70975907999	2675.33623864822	2669.398492053515	2663.46074545881	2657.5229988641045	2651.5852522694	2645.6475056746945	2639.70975907999	1057.8088660461833	1049.5833074170853	1041.357748787987	1037.2449694734382	1033.132190158889	1027.3742991185202	1024.9066315297907	1016.6810729006928	1008.455514271595	992.0043970133979	975.553279755202	2613.31648682347	2625.26613351581	2637.214382886315	2643.187961373701	2649.1611638880117	2657.5229988641045	2661.1064054739277	2673.0500365970875	2684.9919862105185	2708.870556720301	2658.2634354592888	2657.6132218763555	2657.5229988641045	2657.456229320476	2657.403297231416	2658.2634354592888	2657.6132218763555	2657.5229988641045	2657.456229320476	2657.403297231416	2657.5229988641045	2657.5229988641045	2657.5229988641045	2657.5229988641045	2657.5229988641045	2657.5229988641045	2657.5229988641045	2657.5229988641045	2657.5229988641045	2657.5229988641045	2643.0000566606795	1458.2554508612686	2675.086453753548	2657.273213969433	2657.3261451441817	2657.39291353448	2658.1333373398857	2643.0000566606795	2643.0000566606795	1329.1859793322187	1329.1859793322187	2660.074258541984	-180.22430558154102		2.6558054552637915	0	-182.8801110368048											0.001		-803.32
1333. NMN14: nicotinamideribonucleotide-blend	NMN14: nicotinamideribonucleotide-blend	nicotinamideribonucleotide-reactant		1392	1333	nicotinamideribonucleotide-reactant	1436													0	0	0	0		-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144				0				NMN14: nicotinamideribonucleotide-reactant			-17.813239784115147	-17.813239784115147		0				0		0						948.7557176198964					948.7557176198964		948.7557176198964		948.7557176198964	948.7557176198964		-831.6270746653711	984.3059968609946	972.4305036716331	960.5550104822275	948.6795172928176	936.8040241034079	924.9285309139976	913.0530377245875	-831.6270746653711	-249.727907339566	-250.4683439347498	-250.4683439347498	966.4927570769328	948.6795172928176	948.6795172928176	948.6795172928176	948.6795172928176	948.6795172928176	948.6795172928176			2651.725544451616	2651.725544451616	-270.3170590528399		-845.9	109.04467315280466	-232.1875426132258	-341.23221576603044	-847.5	1333. NMN14: nicotinamideribonucleotide-reactant			-509.9057076205606	-429.9935745850248	-350.08144154952697	-270.169308514033	-4.511707983553641	-190.2571754785393	-110.34504244304566	-30.432909407552017	1407.3832945935224	1487.4553362542422	-30.432909407552017	1567.3840424569253	1242.4442832985826	1326.268105817916	1407.3833476251318	1487.4553918875772	1567.3840983696305	1407.3954281717731	1478.4520665185541	1464.2352822438158	1395.9822559612876	1478.4521241623688	1464.235338942094	1395.9822559612876	1395.9822559612876	2654.3838552470393	2637.2598267394333	2637.676840784482	2637.623241713572	2637.391140523383	1395.9822559612876	2654.3838552470393	2637.2598267394337	2637.6768407844825	2637.6232417135725	2637.391140523383	2651.781300788503	2651.725544451616	2651.781300788503	2651.725544451616	-1726.5629980525534	2675.31871567245	2669.212704759444	2661.9306006861243	2651.725544451616	2640.0774887120074	2628.2238026050677	2616.3503066817457	2675.31871567245	2669.212704759444	2661.9306006861243	2651.725544451616	2640.0774887120074	2628.2238026050677	2616.3503066817457	983.0592016672645	973.769335814988	964.4780726408762	959.8318948559535	955.1853410979568	948.6795172928176	945.8910701392554	936.5951887177986	927.2976257866134	908.697171207162	890.0891380251153	2608.2103241680916	2619.9806903699787	2631.744166704306	2637.6232417135725	2643.5004988893675	2651.725544451616	2655.2494326006095	2666.990713778534	2678.724088896411	2702.1661108135513	2654.362789944006	2652.0590025424945	2651.725544451616	2651.477097116748	2651.2791953969813	2654.362789944006	2652.0590025424945	2651.725544451616	2651.477097116748	2651.2791953969813	2651.725544451616	2651.725544451616	2651.725544451616	2651.725544451616	2651.725544451616	2651.725544451616	2651.725544451616	2651.725544451616	2651.725544451616	2651.725544451616	2637.266124629227	1452.1313898305636	2668.962392722843	2651.149152938728	2651.3470510201737	2651.595493790343	2654.232691824603	2637.266124629227	2637.266124629227				0		0	0	0											0.001		0
1334. NO 11; (nitric oxide)	NO 11; (nitric oxide)			1357	1334		1382																0																																																		0				NO 11; (nitric oxide)																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1334. NO 11; (nitric oxide)																																											0
1335. NO 12: (g)	NO 12: (g)	NO(g)		1358	1335	NO(g)	1383													0	0	0	0		-	86.55		86.57	87.6	-	-	-	-		-	-	86.596248	-	-		-	-	-	91.3	90.25	-		-	-	-	90.29072	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	86.57	86.57	TZ	0				NO 12: (g)	90.25	Z	68.60864685012936	68.60864685012936	68.60864685012936	86.57	86.57		-100	86.57	86.57	0	69.44597149239422											68.60864685012936	68.60864685012936		68.60864685012936	68.60864685012936		86.4218866342445	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	86.4218866342445	86.4218866342445	86.4218866342445	86.4218866342445	86.4218866342445	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	86.57	86.57	68.60864685012936	68.60864685012936	86.57							1335. NO 12: (g)	86.57	TZ	86.57	86.57	86.57	86.57	-0.20747780004471103	86.57	86.57	86.57	86.57	86.57	86.57	86.57	86.57	86.57	86.57	86.57	86.57	86.57	86.38485829280562	86.4218866342445	86.57	86.38485829280562	86.4218866342445	86.57	86.57	86.57	69.44597149239422	69.44597149239422	69.44597149239422	69.44597149239422	86.57	86.57	69.44597149239422	69.44597149239422	69.44597149239422	69.44597149239422	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	0	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	71.19039783044602	70.49262729522529	69.79485676000458	69.44597149239422	69.09708622478385	68.60864685012936	68.39931568956312	67.70154515434241	67.0037746191217	65.60823354868026	64.21269247823881	71.19039783044602	70.4926272952253	69.79485676000458	69.44597149239422	69.09708622478385	68.60864685012936	68.39931568956314	67.70154515434241	67.0037746191217	65.60823354868026	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	69.44597149239422	86.4218866342445	86.4218866342445	68.60864685012936	68.60864685012936	68.60864685012936	68.60864685012936	69.44597149239422	69.44597149239422	86.57	86.57	86.57	86.4218866342445		0	0	86.4218866342445
1336. NO 13: (g) species	NO 13: (g) species	no (g) species	NO	1359	1336	no (g) species	1384				0	0	1	1	0	0	0	0		-5	-5	3	30.009999999999998		-	86.55		86.57	87.6	-	-	-	-		-	-	86.596248	-	-		-	-	-	-	90.25	-		-	-	-	90.29072	-		-	-	-	-	-	-	-	-	-	210.761	-	-	-	-	0.001	-17.813239784115144	87.6	87.6	R	0				NO 13: (g) species	91.3	R	221.7675045535302	221.75797951264533		87.6				87.6		0												221.7675045535302	221.7675045535302		221.7675045535302	151.2574338760385		87.45108167030017	186.86945848493866	174.99396529552848	163.11847210611842	151.2429789167083	139.36748572729823	127.49199253788812	115.61649934847803	87.45108167030017	87.45108167030017	87.45108167030017	87.45108167030017	239.5712192967605	221.75797951264533	221.75797951264533	221.75797951264533	221.75797951264533	-111.18304818624662	151.2429789167083	87.6	243.28085003017958	221.75797951264533	221.75797951264533	87.6							1336. NO 13: (g) species	87.6	R	87.6	87.6	87.6	87.6	1.531592517734363	87.6	87.6	87.6	87.6	87.6	87.6	87.6	87.6	87.6	87.6	87.6	87.6	87.6	87.41385208787523	87.45108167030017	87.6	87.41385208787523	87.45108167030017		87.6	244.900199910719	227.77617140311324	227.77617140311324	227.76947151924946	227.76947151924946							221.7649490547562	221.75797951264533			-35.616954527345484	257.3844590808757	245.50896589146552	233.63347270205546	221.75797951264533	209.88248632323527	198.00699313382515	186.13149994441505								240.29341319967457	235.28383652750455	230.27425985533446	227.76947151924946	225.2646831831644	221.75797951264533	220.25510651099435	215.24552983882427	210.23595316665424	200.21679982231402	190.1976464779739											221.75797951264533	221.75797951264533	221.75797951264533	221.75797951264533	221.75797951264533						221.75797951264533	221.75797951264533	221.75797951264533	221.75797951264533	221.75797951264533						227.7538384569006	87.45108167030017	239.55495703183513	221.74171724771998	221.74171724771998	221.74171724771998	221.74171724771998	227.7538384569006	227.7538384569006	87.6	87.6	243.25851708396698	87.45108167030017		0	0	87.45108167030017													87.6
1337. NO 14: (aq)-species	NO 14: (aq)-species	no (aq)-species	NO	1360	1337	no (aq)-species	1385				0	0	1	1	0	0	0	0		-5	-5	3	30.009999999999998		-	-		-	-	-	-	-	-		-	-		-	-		86.55	-	-	-	-	-		-	-	-	-	-		90.25	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	86.55	86.55	A	0				NO 14: (aq)-species	90.25	A	220.7175045535302	220.70797951264535	220.70797951264535	86.55	86.55	86.55	0	86.55	86.55	0	69.42597149239423											220.7175045535302	220.7175045535302		220.7175045535302	150.20743387603852		86.40108167030019	185.8194584849387	173.94396529552853	162.06847210611846	150.19297891670834	138.31748572729828	126.44199253788814	114.56649934847805	86.40108167030019	86.40108167030019	86.40108167030019	86.40108167030019	238.5212192967605	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	-112.2330481862466	150.19297891670834	86.55	242.23085003017957	220.70797951264535	220.70797951264535	86.55	1	86.5	0	-0.0201697727725506	-0.0201697727725506	86.5	1337. NO 14: (aq)-species	86.55	A	86.55	86.55	86.55	86.55	1.5501733628368597	86.55	86.55	86.55	86.55	86.55	86.55	86.55	86.55	86.55	86.55	86.55	86.55	86.55	86.36385208787522	86.40108167030019	86.55	86.36385208787522	86.40108167030019	86.55	86.55	243.85019991071903	226.72617140311326	226.72617140311326	226.71947151924945	226.71947151924945	86.55	243.85019991071903	226.72617140311326	226.72617140311326	226.71947151924945	226.71947151924945	220.7149490547562	220.70797951264535	220.7149490547562	220.70797951264535	-35.61695452734551	256.3344590808757	244.45896589146557	232.58347270205547	220.70797951264535	208.8324863232353	196.95699313382516	185.08149994441507	256.3344590808757	244.45896589146557	232.58347270205547	220.70797951264535	208.8324863232353	196.95699313382516	185.08149994441507	239.2434131996746	234.23383652750454	229.22425985533445	226.71947151924945	224.21468318316442	220.70797951264535	219.20510651099434	214.1955298388243	209.18595316665426	199.16679982231403	189.14764647797395	239.2434131996746	234.23383652750454	229.22425985533445	226.71947151924945	224.21468318316442	220.70797951264535	219.20510651099434	214.1955298388243	209.18595316665426	199.16679982231403	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	220.70797951264535	226.7038384569006	86.40108167030019	238.50495703183515	220.69171724772	220.69171724772	220.69171724772	220.69171724772	226.7038384569006	226.7038384569006	86.55	86.55	242.20851708396697	86.40108167030019		0	0	86.40108167030019											0.001		86.55
1338. NO 15: (aq)-species	NO 15: (aq)-species	no (aq)-species	NO	1361	1338	no (aq)-species	1386				0	0	1	1	0	0	0	0		-5	-5	3	30.009999999999998	86.5	-	-		-	-	-	-	-	-		-	-		-	-		86.55	-	-	-	-	-		-	-	-	-	-		90.25	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	86.5	86.5	E	0				NO 15: (aq)-species	90.25	E<A	220.6654921436694																					220.6654921436694	220.6654921436694		220.6654921436694	150.15542146617773		86.34906926043938	185.76744607507788	173.8919528856677	162.01645969625764	150.14096650684752	138.26547331743745	126.38998012802735	114.51448693861722	86.34906926043938	86.34906926043938	86.34906926043938	86.34906926043938	238.4692068868997	220.65596710278456	220.65596710278456	220.65596710278456	220.65596710278456	-112.2850605961074	150.14096650684752	86.5	242.18085003017958			86.5		86.5	-34.89370689651452	0	34.89370689651452	86.5	1338. NO 15: (aq)-species	86.5	E	86.5	86.5	86.5	86.5	1.5510461519499354	86.5	86.5	86.5			86.5																														220.6654921436694															239.19760572021792	234.18635203983058	229.17509835944313	226.66947151924947	224.16384467905576	220.65596710278456	219.15259099866836	214.14133731828093	209.13008363789356	199.10757627711865	189.0850689163439
1339. NO2 (Nitrogen dioxide)	NO2 (Nitrogen dioxide)			1362	1339		1387																0																																																		0				NO2 (Nitrogen dioxide)																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1339. NO2 (Nitrogen dioxide)																																											0
1340. NO2 11: (g) (Nitrogen dioxide)	NO2 11: (g) (Nitrogen dioxide)	no2 (g)	NO2	1363	1340	no2 (g)	1388				0	0	1	2	0	0	0	0		-7	-7	1	46.01		-	51.31		-	51.3	-	-	-	-		-	-	51.241448	-	-		-	-	-	33.2	33.18	-		-	-	-	33.09544	-		-	-	-	-	-	-	-	-	-	240.06	-	-	-	-	0.001	-17.813239784115144	51.31	51.31	Z	0				NO2 11: (g) (Nitrogen dioxide)	33.18	Z	338.4857853661043	338.4667352843346	338.46593032039027	51.31	51.31		-100	51.31	51.31	0	34.18597149239423											338.4857853661043	338.4857853661043		338.4857853661043	267.97571468861264		52.0396998155291	339.2046938248582	315.45370744603804	291.70272106721785	267.9517346883976	244.20074830957748	220.44976193075723	196.69877555193705	52.0396998155291	52.0396998155291	52.0396998155291	52.0396998155291	356.27997506844974	338.4667352843346	338.4667352843346	338.4667352843346	338.4667352843346	5.52570758544266	267.9517346883976	51.31	362.67170006035917	338.4667352843346	338.4667352843346	51.31							1340. NO2 11: (g) (Nitrogen dioxide)	51.31	Z	51.31	51.31	51.31	51.31	5.5968775163926	51.31	51.31	51.31	51.31	51.31	51.31	51.31	51.31	51.31	51.31	51.31	51.31	51.31	52.22212476941137	52.0396998155291	51.31	52.22111856448097	52.03889485158477	51.31	51.31	365.91039982143803	348.78637131383226	348.78637131383226	348.7729715461047	348.7729715461047	51.31	365.91039982143803	348.78637131383226	348.78637131383226	348.7729715461047	348.7729715461047	338.4806743685563	338.4667352843346	338.479869404612	338.46593032039027	-71.23390905469091	409.71969442079524	385.96870804197505	362.21772166315486	338.4667352843346	314.7157489055145	290.96476252669424	267.21377614787406	409.7188894568509	385.9679030780307	362.2169166992105	338.46593032039027	314.71494394157014	290.9639575627499	267.2129711839297	370.2442970914589	361.65576687331725	353.0672366551755	348.7729715461047	344.4787064370338	338.4667352843346	335.8901762188921	327.3016460007504	318.7131157826087	301.5360553463251	284.35899491004176	370.24597409967623	361.6567730782477	353.06757205681896	348.7729715461047	344.47837103539035	338.46593032039027	335.8891700139617	327.2999689925331	318.7107679711045	301.532365928247	338.4667352843346	338.4667352843346	338.4667352843346	338.4667352843346	338.4667352843346	338.46593032039027	338.46593032039027	338.46593032039027	338.46593032039027	338.46593032039027	338.4667352843346	338.4667352843346	338.4667352843346	338.4667352843346	338.4667352843346	338.46593032039027	338.46593032039027	338.46593032039027	338.46593032039027	338.46593032039027	348.741705421407	52.03889485158477	356.2466455746547	338.43340579053955	338.43340579053955	338.43340579053955	338.43340579053955	348.741705421407	348.741705421407	51.31	51.31	362.62703416793397	52.0396998155291		0	0	52.0396998155291													51.31
1341. NO2 12: (g)	NO2 12: (g)	no2 (g)	NO2	1364	1341	no2 (g)	1389				0	0	1	2	0	0	0	0		-7	-7	1	46.01		-				51.3								51.241448							33.2							33.09544																	0.001	-17.813239784115144	51.3	51.3	R	0				NO2 12: (g)	33.2	R	338.4745779201878	338.4555278384181		51.3																		338.4745779201878	338.4745779201878		338.4745779201878	267.96450724269613		52.02849236961261	339.1934863789417	315.4425000001215	291.69151362130134	267.9405272424811	244.18954086366097	220.43855448484072	196.68756810602054	52.02849236961261	52.02849236961261	52.02849236961261	52.02849236961261	356.26876762253323	338.4555278384181	338.4555278384181	338.4555278384181	338.4555278384181	5.514500139526149	267.9405272424811	51.3	362.6617000603592		0	51.3							1341. NO2 12: (g)	51.3	R	51.3	51.3	51.3	51.3	5.597944988697618	51.3	51.3	51.3			51.3																														338.4745779201878															370.2368126037849	361.6472761807129	353.05773975764066	348.7629715461047	344.4682033345686	338.4555278384181	335.8786669114965	327.2891304884244	318.69959406535236	301.52052121920786	284.3414483730637
1342. o-hydroxybenzoic acid (cr)	o-hydroxybenzoic acid (cr)	o-hydroxybenzoic acid (cr)	C7H6O2	1097	1342	o-hydroxybenzoic acid (cr)	1139				7	6	0	2	0	0	0	0		2	30	30	122.07		-	-		-421.33	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	1	0	-421.33	-421.33	T	0				o-hydroxybenzoic acid (cr)	-484	X<-benozic acid benzylalcohol	134.83703683183955	134.81798675006985	134.81798675006985	-176.73037679735907	-176.73037679735907		-100	-176.7303767973591	-176.7303767973591	0	-181.59360089351912											134.83703683183955	134.83703683183955		134.83703683183955	859.4070535763592		-418.80764548046284	288.9940879038225	468.01072019662354	653.6930297871816	859.3127744076719	1077.0896858993424	1298.4858227944612	1531.369288953164	-418.80764548046284	-169.4222885028508	-169.4222885028508	-169.4222885028508	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	859.3127744076719	859.3127744076719	859.3127744076719	-421.33	134.62614880845834	134.81798675006985	134.81798675006985	-176.73555125190083							1342. o-hydroxybenzoic acid (cr)	-421.33	T	-279.4797222975355	-245.23166528232395	-210.98360826711237	-176.73555125190083	-1.7629310338340278	-142.48749423668926	-108.23943722147771	-73.99138020626617	-176.73555125190092	-142.48749423668937	-73.99138020626617	-108.23943722147783	-245.23166528232403	-210.9836082671125	-176.73555125190092	-142.48749423668937	-108.23943722147783	-176.73037679735907	-161.14058882962814	-164.26154828013702	-181.59360089351912	-161.14058882962814	-164.26154828013702	-181.59360089351912	-181.59360089351912	133.0067989279189	133.0067989279189	133.0067989279189	132.99339916019136	132.99339916019136	-181.59360089351912	133.0067989279189	133.0067989279189	133.0067989279189	132.99339916019136	132.99339916019136	134.83192583429155	134.81798675006985	134.83192583429155	134.81798675006985	35.64552964999996	99.1915071818396	111.06700037124972	122.94249356065981	134.81798675006985	146.69347993948003	158.5689731288901	170.44446631830021	99.1915071818396	111.06700037124972	122.94249356065981	134.81798675006985	146.69347993948003	158.5689731288901	170.44446631830021	129.19217501461088	130.7126646728431	132.23315433107524	132.99339916019136	133.7536439893074	134.81798675006985	135.27413364753954	136.79462330577178	138.3151129640039	141.35609228046803	144.39707159693248	129.19217501461088	130.7126646728431	132.23315433107524	132.99339916019136	133.7536439893074	134.81798675006985	135.27413364753954	136.79462330577178	138.3151129640039	141.35609228046803	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	134.81798675006985	132.96213303549365	-169.4222885028508	134.78546222021913	134.78546222021913	134.78546222021913	134.78546222021913	134.78546222021913	132.96213303549365	132.96213303549365	-210.9836082671125	-210.9836082671125	134.58148291603305	-172.80258589184837		1.0623221821055167	0	-173.86490807395387													-421.33
1343. OXALATE	OXALATE			1401	1343		1445																0																																																		0				OXALATE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1343. OXALATE																																											0
1344. oxalate11: 2- -species	oxalate11: 2- -species	oxalate2- -species	C2O42−	1402	1344	oxalate2- -species	1448				2	0	0	4	0	0	0	-2		-6	2	2	88.02		-	-673.9		-674.04	-673.9	-	-	-	-161.3	-674.8792000000001	-	-	-	-	-		-673.9	-	-	-825.1	-825.1	-		-	-	-	-	-	-	-825.1	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-673.9	-673.9	AZT	-668.6032000000001	-159.8	-5.296799999999848		oxalate11: 2- -species	-825.1	A	-80.07080807638548	-80.10890823992489	-80.10890823992487	-677.1387557050567	-677.1387557050567		-100	-677.1387557050567	-677.1387557050567	-3.238755705056737	-694.2627842126625	-71.01950329181167	9.051304784573801	33.4477547293257	33.47765210235096							-80.07080807638548	-80.07080807638548		-80.07080807638548	126.94919670776301		-667.8144725809157	116.62631881070575	116.87895722546278	119.0360748681504	126.88960251939	138.2166064195384	150.57767472067187	166.22083709711504	-667.8144725809157	-667.8144725809157	-670.776218961651	-670.776218961651	-62.29566845580973	-80.10890823992489	-80.10890823992489	-80.10890823992489	126.88960251939	126.88960251939	126.88960251939	-673.9	-54.415355584338386	-80.10890823992489	-80.10890823992489	-677.1387557050567							1344. oxalate11: 2- -species	-673.9	AZT	-677.1387557050567	-677.1387557050567	-677.1387557050567	-677.1387557050567	-0.8817512549654415	-677.1387557050567	-677.1387557050567	-677.1387557050567	-677.1387557050567	-677.1387557050567	-677.1387557050567	-677.1387557050567	-677.1386997610788	-677.1386997610788	-677.1386997610788	-677.1386997610788	-677.1386997610788	-677.1387557050567	-669.7857321059346	-671.2550254924051	-677.1387557050567	-669.7856717765148	-671.2549660627249	-677.1387557050567	-677.1387557050567	-47.93795606218066	-65.06198456978643	-64.61126126368072	-64.63806079913581	-64.8894741572966	-677.1387557050567	-47.93795606218066	-65.06198456978643	-64.61126126368072	-64.63806079913581	-64.8894741572966	-80.08103007148148	-80.10890823992489	-80.08103007148146	-80.10890823992487	-142.46781810938182	62.397010032996356	14.895037275355982	-32.60693548228439	-80.10890823992489	-127.61088099756515	-175.11285375520563	-222.614826512846	62.39701003299636	14.895037275355985	-32.606935482284385	-80.10890823992487	-127.61088099756513	-175.11285375520563	-222.614826512846	-32.434381078379204	-45.31162547769067	-58.19445916434162	-64.63806079913581	-71.08316632622511	-80.10890823992489	-83.97803115123611	-96.87933782726766	-109.78737054221384	-135.62475084042643	-161.49244554902353	-32.4343810783792	-45.31162547769066	-58.19445916434162	-64.63806079913581	-71.08316632622511	-80.10890823992487	-83.97803115123611	-96.87933782726766	-109.78737054221384	-135.62475084042643	-77.14716185918954	-79.74801619092207	-80.10890823992489	-80.37598641444018	-80.58771477067901	-77.14716185918952	-79.74801619092206	-80.10890823992487	-80.37598641444016	-80.587714770679	-80.10890823992489	-80.10890823992489	-80.10890823992489	-80.10890823992489	-80.10890823992489	-80.10890823992487	-80.10890823992487	-80.10890823992487	-80.10890823992487	-80.10890823992487	-64.95195390545337	-671.2549660627249	-62.83946461658502	-80.65270440070016	-80.44097970170743	-80.17390614051182	-77.21221091889096	-64.95195390545337	-64.95195390545337	-677.1386997610788	-677.1386997610788	-54.504631425210846	-668.522687368986		-0.7082147880703444	-0.7082147880703444	-668.522687368986											0.001		-673.9
1345. oxalate12: - -species	oxalate12: - -species	oxalate- -species	C2HO4−	1403	1345	oxalate- -species	1449				2	1	0	4	0	0	0	-1		-6	2	2	89.02		-	-698.34		-698.44	-698.3	-	-	-	-		-	-	-	-	-		-698.33	-	-	-818.4	-818.4	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-698.33	-698.33	AZT	0				oxalate12: - -species	-818.4	Z	-61.968198507237865	-62.00629867077728	-62.00629867077727	-658.3730850591573	-658.3730850591573		-100	-658.3730850591573	-658.3730850591573	-0.8096889262641842	-676.3076509161232		-9.051304784573809	0.029897373025258266								-61.968198507237865	-61.968198507237865		-61.968198507237865	145.0518062769106		-693.4973989602549	116.91568859573823	123.10607360520027	131.20093784259288	144.9922120885376	162.25696258339102	180.5557774792296	202.13668645037777	-693.4973989602549	-651.9331727973196	-652.6736093925034	-652.6736093925034	-44.19305888666213	-62.00629867077728	-62.00629867077728	-62.00629867077728	144.9922120885376	144.9922120885376	144.9922120885376	-698.33	-35.650547347529255	-62.00629867077728	-62.00629867077728	-658.3739474682476							1345. oxalate12: - -species	-698.33	AZT	-675.4979759758534	-669.7899664733181	-664.0819569707829	-658.3739474682476	-0.9058768975511041	-652.6659379657124	-646.9579284631772	-641.2499189606418	-658.3739474682477	-652.6659379657124	-641.2499189606418	-646.9579284631772	-669.7899524873237	-664.0819429847885	-658.3739334822533	-652.665923979718	-646.9579144771827	-658.3730850591573	-650.3229977084412	-651.9331876547398	-659.1836224085174	-650.3229826260863	-651.9331727973196	-659.1836224085174	-659.1836224085174	-29.982822765641345	-47.106851273247116	-46.99417044672077	-47.02096998217587	-47.08382332171607	-659.1836224085174	-29.982822765641345	-47.106851273247116	-46.99417044672077	-47.02096998217587	-47.08382332171607	-61.97842050233387	-62.00629867077728	-61.97842050233386	-62.00629867077727	-124.6545783252667	62.68637981802883	21.122153655093463	-20.442072507841907	-62.00629867077728	-103.57052483371254	-145.1347509966479	-186.69897715958328	62.68637981802884	21.122153655093467	-20.442072507841903	-62.00629867077727	-103.57052483371253	-145.1347509966479	-186.69897715958328	-15.808348326144877	-28.292340116309344	-40.777729228309084	-47.02096998217587	-53.26458670911647	-62.00629867077728	-65.75298360570605	-78.24299096505077	-90.73467983412402	-115.72338628935114	-140.7196713471739	-15.808348326144875	-28.29234011630934	-40.777729228309084	-47.02096998217587	-53.26458670911647	-62.00629867077727	-65.75298360570605	-78.24299096505077	-90.73467983412402	-115.72338628935114	-61.26586207559344	-61.91607565852657	-62.00629867077728	-62.073068214406156	-62.126000303465865	-61.26586207559343	-61.916075658526566	-62.00629867077727	-62.07306821440615	-62.12600030346586	-62.00629867077728	-62.00629867077728	-62.00629867077728	-62.00629867077728	-62.00629867077728	-62.00629867077727	-62.00629867077727	-62.00629867077727	-62.00629867077727	-62.00629867077727	-47.14634244580179	-652.7932961677718	-44.37779472163197	-62.19103450574711	-62.138103330999016	-62.07133494070003	-61.33091113529487	-47.14634244580179	-47.14634244580179	-664.0819429847885	-664.0819429847885	-35.73986514638534	-652.6736093925034		0	-0.1770536970175861	-652.850663089521											0.001		-698.33
1346. oxalate13: -blend	oxalate13: -blend	oxalate-reactant		1404	1346	oxalate-reactant	1450				2	?	0	4	0	0	0	?							-	-		-	-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	AZT	0				oxalate13: -reactant	-	Z																-80.07311205267463					-80.07311205267463		-80.07311205267463		-80.07311205267463	126.94689273147385		-693.4974774491274	115.04850173907161	116.68563530760571	119.01781587561669	126.88793264912434	138.21645416597005	150.5776608425274	166.22083583213313	-693.4974774491274	-667.8185616779178	-670.7778888319167	-670.7778888319167	-62.29733832607539	-80.11057811019054	-80.11057811019054	-80.11057811019054	126.88793264912434	126.88793264912434	126.88793264912434	-698.3301301088305	-54.41663409639875	-80.11057811019054	-80.11057811019054	-677.1400342171171		-677.6		-0.18554810647795228		-677.4	1346. oxalate13: -reactant	-	AZT	-678.1699905551847	-677.2634504789964	-677.1515112497937	-677.1400342171171	-0.8817480757207745	-677.1388835859393	-677.1387684934418	-677.1387569838982	-677.1400342171171	-677.1388835859393	-677.1387569838982	-677.1387684934418	-677.2633965933738	-677.151455521159	-677.1399782947734	-677.1388276441257	-677.1387125496803	-677.140033772525	-669.7866969584497	-671.256046761055	-677.1405278959184	-669.7866366466377	-671.2559873497338	-677.1405278959184	-677.1405278959184	-47.93972825304231	-65.06375676064808	-64.61329226543812	-64.64009180089322	-64.89135645815591	-677.1405278959184	-47.93972825304231	-65.06375676064808	-64.61329226543812	-64.64009180089322	-64.89135645815591	-80.08269994174714	-80.11057811019054	-80.08269994174712	-80.11057811019053	-140.89230501403685	60.81919296136222	14.701715357498891	-32.62519447481811	-80.11057811019054	-127.6110332511335	-175.1128676333501	-222.6148277778279	60.819192961362226	14.701715357498895	-32.6251944748181	-80.11057811019053	-127.61103325113349	-175.1128676333501	-222.6148277778279	-32.43740972606065	-45.314210074378856	-58.19666106152005	-64.64009180089322	-71.08503883936292	-80.11057811019054	-83.97962057453077	-96.8806843209895	-109.78850890916628	-135.6255592472301	-161.49301438437755	-32.43740972606064	-45.31421007437885	-58.19666106152005	-64.64009180089322	-71.08503883936292	-80.11057811019053	-83.97962057453077	-96.8806843209895	-109.78850890916628	-135.6255592472301	-77.15125095619173	-79.74987864264374	-80.11057811019054	-80.37752670101452	-80.5891595116795	-77.15125095619172	-79.74987864264372	-80.11057811019053	-80.3775267010145	-80.5891595116795	-80.11057811019054	-80.11057811019054	-80.11057811019054	-80.11057811019054	-80.11057811019054	-80.11057811019053	-80.11057811019053	-80.11057811019053	-80.11057811019053	-80.11057811019053	-64.95383623620017	-671.2564108296948	-62.84090938355497	-80.65414916767011	-80.44252001426435	-80.17557603661525	-77.21630001589315	-64.95383623620017	-64.95383623620017	-677.151455521159	-677.151455521159	-71.62993846651125
1347. oxalate14: oxalic acid?	oxalate14: oxalic acid?	oxalic acid?	C2O4H2	1405	1347	oxalic acid?	1451				2	2	0	4	0	0	0	0		-6	2	2	90.02	-705.6	-	-673.9		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-825.1	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-705.6	-705.6	E	0				oxalate14: oxalic acid?	-827.2	<ZX	-26.87195600737791																					-26.87195600737791	-26.87195600737791		-26.87195600737791	180.14804877677057		-700.7058192185142	134.19869131148295	146.3268229156501	160.35943374774783	180.08845458839755	203.29095167795597	227.52751316849955	255.04616873435285	-700.7058192185142	-617.5773668926435	-617.5773668926435	-617.5773668926435	-9.096816386802175	-26.910056170917322	-26.910056170917322	-26.910056170917322	180.08845458839755	180.08845458839755	180.08845458839755	-705.6	-1.3451169632486426			-624.068517083967							1347. oxalate14: oxalic acid?	-705.6	E	-658.3165740991785	-646.900555094108	-635.4845360890375	-624.068517083967	-0.9569406959784796	-612.6524980788964	-601.2364790738259	-589.8204600687554			-589.8204600687554																														-26.87195600737791															14.012439648279557	2.9523056430912114	-8.107828362097138	-13.637895364691193	-19.16796236728548	-26.910056170917322	-30.228096372473825	-41.288230377662174	-52.34836438285029	-74.46863239322767	-96.58890040360407
1348. oxalate15: oxalic acid (ai)	oxalate15: oxalic acid (ai)	oxalic acid (ai)	C2O4H2	1406	1348	oxalic acid (ai)	1452				2	2	0	4	0	0	0	0		-6	2	2	90.02		-	-673.9		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-825.1	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-673.9	-673.9	Z	0				oxalate15: oxalic acid (ai)	-825.1	Z	6.01939063022062	5.981290466681209	5.981290466681212	-592.3667922657863	-592.3667922657863		-100	-592.3667922657863	-592.3667922657863	0	-611.1118954721121											6.01939063022062	6.01939063022062		6.01939063022062	213.0393954143691		-667.8144725809157	167.09003794908148	179.21816955324863	193.25078038534636	212.97980122599608	236.1822983155545	260.4188598060981	287.93751537195135	-667.8144725809157	-584.6860202550449	-584.6860202550449	-584.6860202550449	23.794530250796356	5.981290466681209	5.981290466681209	5.981290466681209	212.97980122599608	212.97980122599608	212.97980122599608	-673.9	30.354883036751403	5.981290466681209	5.981290466681209	-592.3685170839669							1348. oxalate15: oxalic acid (ai)	-673.9	Z	-626.6165740991785	-615.2005550941079	-603.7845360890375	-592.3685170839669	-1.0101615640545045	-580.9524980788964	-569.5364790738258	-558.1204600687554	-592.3685170839669	-580.9524980788965	-558.1204600687554	-569.536479073826	-615.200555094108	-603.7845360890375	-592.3685170839669	-580.9524980788965	-569.536479073826	-592.3667922657863	-580.6142680524945	-582.9657735141404	-593.9878669645063	-580.6142680524945	-582.9657735141404	-593.9878669645063	-593.9878669645063	35.212932678369725	18.08890417076395	18.08890417076395	18.062104635308852	18.062104635308852	-593.9878669645063	35.212932678369725	18.088904170763954	18.088904170763954	18.062104635308856	18.062104635308856	6.009168635124617	5.981290466681209	6.00916863512462	5.981290466681212	-106.84133854115146	112.86072917137207	77.23424960314182	41.607770034911574	5.981290466681209	-29.645189101549043	-65.27166866977942	-100.89814823800967	112.86072917137209	77.23424960314183	41.60777003491158	5.981290466681212	-29.64518910154904	-65.2716686697794	-100.89814823800965	43.230467486615964	33.16312234609312	23.095777205570045	18.062104635308852	13.02843206504743	5.981290466681209	2.9610869245243556	-7.106258215998494	-17.17360335652134	-37.308293637567715	-57.44298391861324	43.23046748661597	33.163122346093125	23.095777205570048	18.062104635308856	13.02843206504743	5.981290466681212	2.961086924524359	-7.106258215998491	-17.173603356521337	-37.308293637567715	5.981290466681209	5.981290466681209	5.981290466681209	5.981290466681209	5.981290466681209	5.981290466681212	5.981290466681212	5.981290466681212	5.981290466681212	5.981290466681212	5.981290466681209	5.981290466681209	5.981290466681209	5.981290466681209	5.981290466681209	5.981290466681212	5.981290466681212	5.981290466681212	5.981290466681212	5.981290466681212	17.99957238591344	-584.6860202550449	23.72948119109492	5.9162414069797755	5.9162414069797755	5.9162414069797755	5.9162414069797755	17.99957238591344	17.99957238591344	-603.7845360890375	-603.7845360890375	30.265551251901	-585.8127860513775		0.3541073940351722	0	-586.1668934454127													-673.9
1349. OXALOACETATE	OXALOACETATE			1407	1349		1456																0																																																		0				OXALOACETATE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1349. OXALOACETATE																																											0
1350. oxaloacetate11: 2- species	oxaloacetate11: 2- species	oxaloacetate2- species	C4H2O5 2-	1408	1350	oxaloacetate2- species	1457				4	2	0	5	0	0	0	-2		-6	10	10	130.04		-189.6	-	-793.2864	-797.18	-	-	-	-794.59	-190.53	-797.1775200000001	-	-	-	-	-		-793.29	-	-	-	-	-	-	-	-	-	-	-	-	-959.9	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-793.29	-793.29	A	-807.9304	-193.1	14.6404		oxaloacetate11: 2- species	-959.9	A	36.417531635931574	36.36990643150725	36.36990643150726	-714.9955479708431	-714.9955479708431		-100	-714.9955479708431	-714.9955479708431	-3.238755705056737	-733.7406511771688											36.417531635931574	36.417531635931574		36.417531635931574	450.45754120422856		-786.5842478618146	287.33444225984726	335.3416918470017	387.15789989001735	450.36692795013704	520.5229085080741	592.7470178679815	671.5353153785082	-786.5842478618146	-703.4557955359438	-706.4175419166792	-706.4175419166792	54.1831462156224	36.36990643150725	36.36990643150725	36.36990643150725	450.36692795013704	450.36692795013704	450.36692795013704	-793.29	63.40697736187428	36.36990643150725	36.36990643150725	-714.9972727890237							1350. oxaloacetate11: 2- species	-793.29	A	-749.2453298042352	-737.8293107991647	-726.4132917940942	-714.9972727890237	-1.0509338049554735	-703.5812537839531	-692.1652347788827	-680.7492157738121	-714.9972727890237	-703.5812537839531	-680.7492157738121	-692.1652347788827	-737.8292548551868	-726.4132358501163	-714.9972168450457	-703.5811978399752	-692.1651788349047	-714.9955479708431	-702.721628533408	-705.1761017065287	-716.6166226695631	-702.7215682039882	-705.1760422768484	-716.6166226695631	-716.6166226695631	69.88437688403201	52.760348376426236	53.21107168253195	53.17757226321305	52.92615890505226	-716.6166226695631	69.88437688403201	52.760348376426236	53.21107168253195	53.17757226321305	52.92615890505226	36.4047541420616	36.36990643150725	36.404754142061606	36.36990643150726	-142.4582930684969	178.87582470442848	131.3738519467881	83.87187918914773	36.36990643150725	-11.132066326133007	-58.634039083773494	-106.13601184141388	178.87582470442848	131.3738519467881	83.87187918914775	36.36990643150726	-11.132066326133003	-58.63403908377349	-106.13601184141386	88.16629029837935	74.17503057330406	60.17818156088927	53.17757226321305	46.175459073241726	36.36990643150725	32.1665789224669	18.151256920671514	4.12920887996151	-23.9362020697792	-52.031927429904016	88.16629029837935	74.17503057330407	60.17818156088927	53.17757226321305	46.175459073241726	36.36990643150726	32.166578922466904	18.151256920671518	4.129208879961514	-23.9362020697792	39.3316528122426	36.73079848051007	36.36990643150725	36.10282825699196	35.891099900753126	39.33165281224261	36.730798480510074	36.36990643150726	36.10282825699197	35.89109990075313	36.36990643150725	36.36990643150725	36.36990643150725	36.36990643150725	36.36990643150725	36.36990643150726	36.36990643150726	36.36990643150726	36.36990643150726	36.36990643150726	52.8480460945467	-706.896289017753	53.62308778992178	35.80984800580664	36.02157270479937	36.288646265994984	39.25034148761584	52.8480460945467	52.8480460945467	-726.4132358501163	-726.4132358501163	63.29536857478922	-705.2907761203468		-0.3541073940351722	-0.7082147880703444	-705.644883514382
1351. oxaloacetate20	oxaloacetate20			1409	1351		1458																0																																																		0				oxaloacetate20																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1351. oxaloacetate20																																											0
1352. oxaloacetate21: 2- species	oxaloacetate21: 2- species	oxaloacetate2- species	C4H2O5 2-	1410	1352	oxaloacetate2- species	1459				4	2	0	5	0	0	0	-2		-6	10	10	130.04		-189.6	-	-793.2864	-797.18	-	-	-	-794.59	-190.53	-797.1775200000001	-	-	-	-	-		-793.29	-	-	-	-	-	-	-	-	-	-	-	-	-959.9	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-793.2864	-793.2864	W	-807.9304	-193.1	14.644000000000005		oxaloacetate21: 2- species	-959.9	A	36.42127652944155	36.37365132501723	36.373651325017235	-714.9919479708431	-714.9919479708431		-100	-714.9919479708431	-714.9919479708431	-3.238755705056737	-733.7370511771688	55.643190612327636	19.221914082886087	1726.7940963578237	1731.112115512878							36.42127652944155	36.42127652944155		36.42127652944155	450.46128609773854		-786.5805029683046	287.33818715335724	335.3454367405117	387.1616447835273	450.370672843647	520.5266534015841	592.7507627614915	671.5390602720182	-786.5805029683046	-703.4520506424338	-706.4137970231692	-706.4137970231692	54.186891109132375	36.37365132501723	36.37365132501723	36.37365132501723	450.370672843647	450.370672843647	450.370672843647	-793.2864	63.41057736187429	36.37365132501723	36.37365132501723	-714.9936727890237							1352. oxaloacetate21: 2- species	-793.2864	W	-749.2417298042352	-737.8257107991647	-726.4096917940942	-714.9936727890237	-1.0509392990673199	-703.5776537839531	-692.1616347788827	-680.7456157738121	-714.9936727890237	-703.5776537839531	-680.7456157738121	-692.1616347788827	-737.8256548551868	-726.4096358501163	-714.9936168450457	-703.5775978399752	-692.1615788349047	-714.9919479708431	-702.7178474165205	-705.1723568130187	-716.6130226695631	-702.7177870871008	-705.1722973833384	-716.6130226695631	-716.6130226695631	69.88797688403201	52.76394837642624	53.21467168253196	53.18117226321306	52.92975890505227	-716.6130226695631	69.88797688403201	52.76394837642624	53.21467168253196	53.18117226321306	52.92975890505227	36.40849903557157	36.37365132501723	36.40849903557158	36.373651325017235	-142.4582930684969	178.87956959793846	131.37759684029808	83.87562408265771	36.37365132501723	-11.128321432623032	-58.63029419026352	-106.1322669479039	178.87956959793846	131.37759684029808	83.87562408265772	36.373651325017235	-11.128321432623029	-58.63029419026351	-106.13226694790389	88.16958843690026	74.1784494564166	60.18172118859346	53.18117226321306	46.17911944553755	36.37365132501723	32.170360039354364	18.15515878215062	4.133231486032258	-23.931937974525056	-52.027421845466705	88.16958843690026	74.17844945641662	60.18172118859346	53.18117226321306	46.17911944553755	36.373651325017235	32.17036003935437	18.155158782150625	4.133231486032262	-23.931937974525056	39.33539770575258	36.73454337402004	36.37365132501723	36.10657315050194	35.8948447942631	39.335397705752584	36.73454337402005	36.373651325017235	36.106573150501944	35.89484479426311	36.37365132501723	36.37365132501723	36.37365132501723	36.37365132501723	36.37365132501723	36.373651325017235	36.373651325017235	36.373651325017235	36.373651325017235	36.373651325017235	52.85164609454671	-706.892544124243	53.62683268343176	35.81359289931662	36.02531759830934	36.29239115950496	39.254086381125816	52.85164609454671	52.85164609454671	-726.4096358501163	-726.4096358501163	63.29896857478923	-705.2870312268368		-0.3541073940351722	-0.7082147880703444	-705.641138620872
1353. oxaloacetate22: - -species	oxaloacetate22: - -species	oxaloacetate- -species	C4H3O5 -	1411	1353	oxaloacetate- -species	1460				4	3	0	5	0	0	0	-2		-5	11	11	131.04		-195.6	-	-818.3904	-	-	-	-	-809.18	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-818.3904	-818.3904	W	0				oxaloacetate22: - -species	-959.9	X	51.871111949462126	51.823486745037805	51.82348674503781	-699.3293441037363	-699.3293441037363		-100	-699.3293441037363	-699.3293441037363	-3.238755705056737	-718.8849846594221		3.7720786628655105	4.317885036652665								51.871111949462126	51.871111949462126		51.871111949462126	465.9111215177591		-812.6948937112193	284.9747827892628	338.91977897112224	396.6737336088429	465.8205082636676	541.9142354163099	620.0760913709223	704.802135476154	-812.6948937112193	-688.0022152224133	-690.9639616031486	-690.9639616031486	69.63672652915295	51.823486745037805	51.823486745037805	51.823486745037805	465.8205082636676	465.8205082636676	465.8205082636676	-818.3904	79.07231881989082	51.823486745037805	51.823486745037805	-699.3319313310071							1353. oxaloacetate22: - -species	-818.3904	W	-750.7040168538244	-733.5799883462187	-716.4559598386129	-699.3319313310071	-1.0741723774155976	-682.2079028234014	-665.0838743157956	-647.9598458081898	-699.3319313310072	-682.2079028234015	-647.9598458081898	-665.0838743157957	-733.5799324022408	-716.4559038946351	-699.3318753870293	-682.2078468794235	-665.0838183718178	-699.3293441037363	-686.2454245083388	-688.8623980225458	-701.7609561518163	-686.2453641789191	-688.8623385928655	-701.7609561518163	-701.7609561518163	84.74004340177873	67.61601489417296	68.06673820027868	68.03323878095978	67.78182542279899	-701.7609561518163	84.74004340177873	67.61601489417296	68.06673820027868	68.03323878095978	67.78182542279899	51.85833445559215	51.823486745037805	51.85833445559216	51.82348674503781	-124.6450532843819	176.51616523384402	134.95193907090865	93.38771290797328	51.823486745037805	10.259260582102776	-31.304965580832707	-72.86919174376808	176.51616523384402	134.95193907090865	93.3877129079733	51.82348674503781	10.25926058210278	-31.304965580832704	-72.86919174376807	101.77630307490966	88.283304846321	74.78471733039274	68.03323878095978	61.28025633923171	51.823486745037805	47.76963768494352	34.252577179634656	20.728790635411286	-6.340097321356268	-33.43929968850816	101.77630307490966	88.28330484632102	74.78471733039274	68.03323878095978	61.28025633923171	51.82348674503781	47.769637684943525	34.252577179634656	20.72879063541129	-6.340097321356268	54.78523312577315	52.18437879404062	51.823486745037805	51.556408570522514	51.34468021428368	54.78523312577316	52.184378794040626	51.82348674503781	51.55640857052252	51.344680214283684	51.823486745037805	51.823486745037805	51.823486745037805	51.823486745037805	51.823486745037805	51.82348674503781	51.82348674503781	51.82348674503781	51.82348674503781	51.82348674503781	67.70371261229343	-691.4427087042225	69.07666810345233	51.263428319337194	51.47515301832992	51.742226579525536	54.70392180114639	67.70371261229343	67.70371261229343	-716.4559038946351	-716.4559038946351	78.96071003280565	-690.4005787049824		-0.1770536970175861	-0.7082147880703444	-690.9317397960351											0.001		-793.2864
1354. oxaloacetate23: oxaloacetic acid (aq)	oxaloacetate23: oxaloacetic acid (aq)	oxaloacetic acid (aq)	C4H4O5	1412	1354	oxaloacetic acid (aq)	1461				4	4	0	5	0	0	0	-2		-4	12	12	132.04		-199	-	-832.616	-	-	-	-	-834.12	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-832.616	-832.616	W	0				oxaloacetate23: oxaloacetic acid (aq)	-959.9	X	78.63718335807923	78.5895581536549	78.58955815365492	-672.7883402366294	-672.7883402366294		-100	-672.7883402366294	-672.7883402366294	-3.238755705056737	-693.1545181416752		-22.99399274575159	1.3411840183538055E-4								78.63718335807923	78.63718335807923		78.63718335807923	492.67719292637616		-827.4930484655375	293.9276144137647	353.8103571903292	417.5020584227549	492.58657967228464	574.618053419632	658.7176559689494	749.3814466688863	-827.4930484655375	-661.2361438137962	-664.1978901945315	-664.1978901945315	96.40279793777006	78.5895581536549	78.5895581536549	78.5895581536549	492.58657967228464	492.58657967228464	492.58657967228464	-832.616	105.6124602779073	78.5895581536549	78.5895581536549	-672.7917898729906							1354. oxaloacetate23: oxaloacetic acid (aq)	-832.616	W	-741.2879039034137	-718.4558658932727	-695.6238278831316	-672.7917898729906	-1.116881900971063	-649.9597518628495	-627.1277138527086	-604.2956758425676	-672.7917898729906	-649.9597518628497	-604.2956758425676	-627.1277138527087	-718.4558099492948	-695.6237719391538	-672.7917339290127	-649.9596959188717	-627.1276579087307	-672.7883402366294	-658.3473066144117	-661.2362032434764	-676.0304896340695	-658.3472462849919	-661.2361438137962	-676.0304896340695	-676.0304896340695	110.47050991952563	93.34648141191985	93.79720471802557	93.76370529870667	93.51229194054588	-676.0304896340695	110.47050991952563	93.34648141191985	93.79720471802557	93.76370529870667	93.51229194054588	78.62440586420925	78.5895581536549	78.62440586420927	78.58955815365492	-106.83181350026666	185.4689968583459	149.84251729011564	114.21603772188527	78.5895581536549	42.96307858542489	7.336599017194409	-28.289880551035843	185.4689968583459	149.84251729011564	114.21603772188529	78.58955815365492	42.963078585424896	7.336599017194413	-28.28988055103584	125.34925940334364	112.71926525048	100.083681810277	93.76370529870667	87.44222489484123	78.5895581536549	74.79461031627807	62.14055388669446	49.479771418196236	24.136891612879197	-1.2363026028222954	125.34925940334364	112.71926525048002	100.083681810277	93.76370529870667	87.44222489484123	78.58955815365492	74.79461031627807	62.14055388669446	49.479771418196236	24.136891612879197	81.55130453439025	78.95045020265772	78.5895581536549	78.32247997913962	78.11075162290078	81.55130453439027	78.95045020265773	78.58955815365492	78.32247997913963	78.11075162290079	78.5895581536549	78.5895581536549	78.5895581536549	78.5895581536549	78.5895581536549	78.58955815365492	78.58955815365492	78.58955815365492	78.58955815365492	78.58955815365492	93.43417913004032	-664.6766372956054	95.84273951206944	78.0294997279543	78.24122442694703	78.50829798814264	81.4699932097635	93.43417913004032	93.43417913004032	-695.6237719391538	-695.6237719391538	105.50085149082224	-664.1978901945315		0	-0.7082147880703444	-664.9061049826018													-832.616
1355. oxaloacetate24: blend	oxaloacetate24: blend	oxaloacetate reactant		1413	1355	oxaloacetate reactant	1462				4	?	0	5	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	W	0				oxaloacetate24: reactant		X						-715										36.41483620795791					36.41483620795791		36.41483620795791		36.41483620795791	450.4548457762549		-827.4993755212853	284.11874561505596	334.81805629580305	387.1087661310469	450.36580700702825	520.5262094979857	592.7507222969082	671.539056583686	-827.4993755212853	-703.4569164790526	-706.4186628597879	-706.4186628597879	54.18202527251363	36.36878548839849	36.36878548839849	36.36878548839849	450.36580700702825	450.36580700702825	450.36580700702825	-832.6239683955401	63.406109816848776	36.36878548839849	36.36878548839849	-714.9981403340491	0.9999973990686002	-715.4	-7.501807932340685E-4	-0.16210836297363887	-0.1613581821804048	-715.2	1355. oxaloacetate24: reactant	-	W	-751.8329277002832	-738.23765489055	-726.4540178736887	-714.9981403340491	-1.0509299733156576	-703.5781008919254	-692.1616794932188	-680.7456202452811	-714.9981403340491	-703.5781008919254	-680.7456202452811	-692.1616794932188	-738.2375989465721	-726.4539619297108	-714.9980843900712	-703.5780449479474	-692.1616235492409	-714.9964139632802	-702.7210695884265	-705.1757970846328	-716.6192138088517	-702.7210092590068	-705.1757376549525	-716.6192138088517	-716.6192138088517	69.88178574474345	52.75775723713768	53.2084805432434	53.174981123924496	52.92356776576371	-716.6192138088517	69.88178574474345	52.75775723713768	53.2084805432434	53.174981123924496	52.92356776576371	36.40363319895283	36.36878548839849	36.40363319895283	36.36878548839849	-139.24529185167924	175.66012805963715	130.85021639558943	83.82274543017726	36.36878548839849	-11.128765336221365	-58.63033465484684	-106.13227063623609	175.66012805963715	130.85021639558943	83.82274543017728	36.36878548839849	-11.128765336221363	-58.630334654846834	-106.13227063623609	88.15936464353393	74.17008389702994	60.17487654070173	53.174981123924496	46.173519484783085	36.36878548839849	32.16577861608038	18.15141077331909	4.130165372684544	-23.933989770166487	-52.02879478562987	88.15936464353393	74.17008389702997	60.17487654070173	53.174981123924496	46.173519484783085	36.36878548839849	32.16577861608039	18.151410773319093	4.130165372684544	-23.933989770166487	39.330531869133836	36.7296775374013	36.36878548839849	36.101707313883196	35.88997895764436	39.330531869133836	36.7296775374013	36.36878548839849	36.101707313883196	35.88997895764436	36.36878548839849	36.36878548839849	36.36878548839849	36.36878548839849	36.36878548839849	36.36878548839849	36.36878548839849	36.36878548839849	36.36878548839849	36.36878548839849	52.84545495525815	-706.8974099608618	53.62196684681301	35.80872706269787	36.020451761690595	36.28752532288621	39.24922054450707	52.84545495525815	52.84545495525815	-726.4539619297108	-726.4539619297108	46.170472522157944		-726.7
1356. oxaloacetate30	oxaloacetate30			1414	1356		1463																0																																																		0				oxaloacetate30																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1356. oxaloacetate30																																											0
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1359. oxaloacetate33: oxaloacetic acid (aq)	oxaloacetate33: oxaloacetic acid (aq)	oxaloacetic acid (aq)	C4H4O5	1417	1359	oxaloacetic acid (aq)	1466				4	4	0	5	0	0	0	-2		-4	12	12	132.04		-199	-	-832.616	-	-	-	-	-834.12	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-834.12	-834.12	M	0				oxaloacetate33: oxaloacetic acid (aq)	-959.9	X	77.0726500694661	77.02502486504179	77.0250248650418	-674.2923402366295	-674.2923402366295		-100	-674.2923402366295	-674.2923402366295	-3.238755705056737	-694.6585181416754		-19.209292404759886	5.819492500186618E-4								77.0726500694661	77.0726500694661		77.0726500694661	491.11265963776304		-829.0575817541506	292.36308112515155	352.2458239017161	415.93752513414177	491.0220463836715	573.0535201310189	657.1531226803363	747.8169133802731	-829.0575817541506	-662.8006771024093	-665.7624234831446	-665.7624234831446	94.83826464915694	77.02502486504179	77.02502486504179	77.02502486504179	491.0220463836715	491.0220463836715	491.0220463836715	-834.12	104.10846027790728	77.02502486504179	77.02502486504179	-674.2957898729907							1359. oxaloacetate33: oxaloacetic acid (aq)	-834.12	M	-742.7919039034138	-719.9598658932728	-697.1278278831317	-674.2957898729907	-1.114300951046993	-651.4637518628496	-628.6317138527086	-605.7996758425675	-674.2957898729908	-651.4637518628497	-605.7996758425675	-628.6317138527087	-719.9598099492948	-697.1277719391538	-674.2957339290128	-651.4636959188717	-628.6316579087307	-674.2923402366295	-659.926973225178	-662.8007365320896	-677.5344896340696	-659.9269128957583	-662.8006771024093	-677.5344896340696	-677.5344896340696	108.96650991952549	91.84248141191972	92.29320471802544	92.25970529870654	92.00829194054575	-677.5344896340696	108.96650991952549	91.84248141191972	92.29320471802544	92.25970529870654	92.00829194054575	77.05987257559613	77.02502486504179	77.05987257559615	77.0250248650418	-106.83181350026666	183.90446356973277	148.27798400150252	112.65150443327215	77.02502486504179	41.39854529681177	5.772065728581289	-29.854413839648963	183.90446356973277	148.27798400150252	112.65150443327217	77.0250248650418	41.398545296811776	5.772065728581293	-29.85441383964896	123.97137042128765	111.29093186124634	98.60490401386565	92.25970529870654	85.91300269125243	77.02502486504179	73.21494370551181	60.51044286875042	47.799215993074625	22.355447373402455	-3.118635656654167	123.97137042128765	111.29093186124635	98.60490401386565	92.25970529870654	85.91300269125243	77.0250248650418	73.21494370551181	60.51044286875042	47.799215993074625	22.355447373402455	79.98677124577713	77.3859169140446	77.02502486504179	76.7579466905265	76.54621833428766	79.98677124577715	77.38591691404461	77.0250248650418	76.75794669052651	76.54621833428767	77.02502486504179	77.02502486504179	77.02502486504179	77.02502486504179	77.02502486504179	77.0250248650418	77.0250248650418	77.0250248650418	77.0250248650418	77.0250248650418	91.93017913004019	-666.2411705842185	94.27820622345632	76.46496643934118	76.67669113833391	76.94376469952952	79.90545992115038	91.93017913004019	91.93017913004019	-697.1277719391538	-697.1277719391538	103.99685149082211	-665.7624234831446		0	-0.7082147880703444	-666.470638271215													-834.12
1360. oxaloacetate34: blend	oxaloacetate34: blend	oxaloacetate reactant		1418	1360	oxaloacetate reactant	1467				4	?	0	5	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	M	0				oxaloacetate34: reactant																		35.065115982150274					35.065115982150274		35.065115982150274		35.065115982150274	449.10512555044727		-829.0576525583232	285.728558932963	333.9807029253184	385.80491607141494	449.0145461026644	519.170580465404	591.3946947207198	670.1829926773845	-829.0576525583232	-704.8081773834165	-707.7699237641518	-707.7699237641518	52.830764368149744	35.0175245840346	35.0175245840346	35.0175245840346	449.0145461026644	449.0145461026644	449.0145461026644	-834.120106210172	62.10691291461459	35.0175245840346	35.0175245840346	-716.2973372362834		-715.4	288.9510905927941	0.36198176312372304	-288.5891088296704	-715.2	1360. oxaloacetate34: reactant	-	M	-750.7125263881619	-739.136819607203	-727.7139459649455	-716.2973372362834	-1.0489532965701691	-704.8812602189784	-693.4652354222882	-682.0492158381518	-716.2973372362834	-704.8812602189785	-682.0492158381518	-693.4652354222883	-739.1367636632252	-727.7138900209676	-716.2972812923055	-704.8812042750005	-693.4651794783103	-716.2956123956485	-704.0870693775682	-706.5284661784412	-717.916712068805	-704.0870090481485	-706.528406748761	-717.916712068805	-717.916712068805	68.58428748479	51.460258977184225	51.91098228328994	51.87748286397104	51.62606950581025	-717.916712068805	68.58428748479	51.460258977184225	51.91098228328994	51.87748286397104	51.62606950581025	35.05237229458894	35.0175245840346	35.05237229458895	35.017524584034604	-142.20482539539393	177.2699413775442	130.01286302510476	82.51889537054532	35.0175245840346	-12.484394368803162	-59.98636223103518	-107.48833454253756	177.2699413775442	130.01286302510476	82.51889537054535	35.017524584034604	-12.484394368803159	-59.98636223103517	-107.48833454253756	86.97508466835026	72.94028417869949	58.89987650645484	51.87748286397104	44.85358268083189	35.0175245840346	30.801122207718095	16.742213515446583	2.6765742697110184	-25.476027761833425	-53.65895083477683	86.97508466835026	72.9402841786995	58.89987650645484	51.87748286397104	44.85358268083189	35.017524584034604	30.801122207718098	16.74221351544659	2.6765742697110184	-25.476027761833425	37.979270964769945	35.37841663303741	35.0175245840346	34.750446409519306	34.53871805328047	37.97927096476995	35.37841663303742	35.017524584034604	34.75044640951931	34.538718053280476	35.0175245840346	35.0175245840346	35.0175245840346	35.0175245840346	35.0175245840346	35.017524584034604	35.017524584034604	35.017524584034604	35.017524584034604	35.017524584034604	51.54795669530469	-708.2486708652257	52.270705942449126	34.457466158333986	34.66919085732671	34.93626441852233	37.897959640143185	51.54795669530469	51.54795669530469	-727.7138900209676	-727.7138900209676	44.87127561992376		-726.7
1361. oxaloacetate40	oxaloacetate40			1419	1361																		0																																																		0				oxaloacetate40																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1361. oxaloacetate40																																											0
1362. oxaloacetate41: oxaloacetic acid (eq.buf)	oxaloacetate41: oxaloacetic acid (eq.buf)	oxaloacetic acid (eq.buf)	C4H4O5	1420	1362	oxaloacetic acid (eq.buf)	1468				4	4	0	5	0	0	0	-2		-4	12	12	132.04	-827.8	-209.3	-	-875.7112000000001	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-827.8	-827.8	E	0				oxaloacetate41: oxaloacetic acid (eq.buf)	-959.9	<AX	83.64701867587232																					83.64701867587232	83.64701867587232		83.64701867587232	497.68702824416926		-822.4832131477444	298.93744973155776	358.8201925081223	422.5118937405481	497.59641499007773	579.6278887374251	663.7274912867425	754.3912819866794	-822.4832131477444	-656.2263084960031	-659.1880548767384	-659.1880548767384	101.41263325556315	83.599393471448	83.599393471448	83.599393471448	497.59641499007773	497.59641499007773	497.59641499007773	-827.8	110.42846027790733			-667.9757898729906							1362. oxaloacetate41: oxaloacetic acid (eq.buf)	-827.8	E	-736.4719039034137	-713.6398658932727	-690.8078278831316	-667.9757898729906	-1.1252246263173356	-645.1437518628495	-622.3117138527085	-599.4796758425675			-599.4796758425675																																													129.761435824608	117.29297110323863	104.8189170945299	98.5797052987067	92.3389896105884	83.599393471448	79.85290446351951	67.36037746543006	54.861124428425995	29.841303486097388	4.791168133384328																																													0	-0.7082147880703444														-827.8
1363. OXALOSUCCINATE	OXALOSUCCINATE			1424	1363		1469																0																																																		0				OXALOSUCCINATE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1363. OXALOSUCCINATE																																											0
1364. oxalosuccinate-species	oxalosuccinate-species	oxalosuccinate-species	C5H4O5 2-	1425	1364	oxalosuccinate-species	1470				5	4	0	5	0	0	0	-2		-4	16	16	144.05		-272.2	-	-1138.8848	-	-	-	-	-	-268.57	-1123.69688	-	-	-	-	-		-1138.88	-	-	-	-	-	-	-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1138.88	-1138.88	A	0				oxalosuccinate-species	-1199.875	X<-oxaloacetate	-230.29482938718334	-230.34245459160766	-230.34245459160766	-979.0523402366296	-979.0523402366296	-979.05	-2.3903079880982503E-4	-979.0523402366296	-979.0523402366296	-3.238755705056737	-999.4185181416753											-230.29482938718334	-230.29482938718334		-230.29482938718334	287.2551825731879		-1136.4250612108	12.110256057356821	95.8703044201201	184.3915508527098	287.15382230667956	398.59978438292126	512.6309074616256	634.8672657286043	-1136.4250612108	-970.1681565590587	-973.1299029397941	-973.1299029397941	-212.5292148074925	-230.34245459160766	-230.34245459160766	-230.34245459160766	287.15382230667956	287.15382230667956	287.15382230667956	-1138.88	-200.65153972209282	-230.34245459160766	-230.34245459160766	-979.0557898729908	1.0000059137663968	-1004.1	0.0023356084521344543	-10.102720550596318	-10.105056159048452	-1003.9	1364. oxalosuccinate-species	-1138.88	A	-1047.5519039034139	-1024.7198658932728	-1001.8878278831318	-979.0557898729908	-0.7647786451300609	-956.2237518628497	-933.3917138527087	-910.5596758425677	-979.0557898729908	-956.2237518628498	-910.5596758425677	-933.3917138527088	-1024.719809949295	-1001.8877719391539	-979.0557339290128	-956.2236959188718	-933.3916579087308	-979.0523402366296	-967.9463225459898	-970.168215988739	-982.2944896340696	-967.9462622165701	-970.1681565590587	-982.2944896340696	-982.2944896340696	-195.7934900804745	-212.91751858808027	-212.46679528197456	-212.50029470129346	-212.75170805945424	-982.2944896340696	-195.7934900804745	-212.91751858808027	-212.46679528197456	-212.50029470129346	-212.75170805945424	-230.30760688105332	-230.34245459160766	-230.30760688105332	-230.34245459160766	-106.83181350026666	-123.46301588691668	-159.08949545514693	-194.71597502337718	-230.34245459160766	-265.96893415983766	-301.59541372806814	-337.2218932962984	-123.46301588691666	-159.08949545514693	-194.71597502337718	-230.34245459160766	-265.96893415983766	-301.59541372806814	-337.2218932962984	-175.35638071069326	-190.20971881794208	-205.0686462125303	-212.50029470129346	-219.9334470823517	-230.34245459160766	-234.80440561530008	-249.681805999269	-264.5659324221525	-294.35550013624066	-324.1753822607128	-175.35638071069326	-190.20971881794208	-205.0686462125303	-212.50029470129346	-219.9334470823517	-230.34245459160766	-234.80440561530008	-249.681805999269	-264.5659324221525	-294.35550013624066	-227.3807082108723	-229.98156254260485	-230.34245459160766	-230.60953276612295	-230.8212611223618	-227.3807082108723	-229.98156254260485	-230.34245459160766	-230.60953276612295	-230.8212611223618	-230.34245459160766	-230.34245459160766	-230.34245459160766	-230.34245459160766	-230.34245459160766	-230.34245459160766	-230.34245459160766	-230.34245459160766	-230.34245459160766	-230.34245459160766	-212.8298208699598	-973.6086500408679	-213.08927323319313	-230.90251301730828	-230.69078831831555	-230.42371475711994	-227.46201953549908	-212.8298208699598	-212.8298208699598	-1001.8877719391539	-1001.8877719391539	-200.76314850917788	-973.1299029397941		0	-0.7082147880703444	-973.8381177278644											0.001		-1138.88
1365. oxalosuccinic acid?	oxalosuccinic acid?	oxalosuccinic acid?	C5H6O5	1426	1365	oxalosuccinic acid?	1471				5	6	0	5	0	0	0	0		-4	16	16	146.05	-1180.1	-272.2	-	-1138.8848	-	-	-	-	-	-268.57	-1123.69688	-	-	-	-	-		-1138.88	-	-	-	-	-	-	-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1180.1	-1180.1	E	0				oxalosuccinic acid?	-1199.875	X<-oxaloacetate	-187.08366136982752																					-187.08366136982752	-187.08366136982752		-187.08366136982752	330.4663505905437		-1179.3040919000503	19.6949445064825	115.3304860586558	215.7272256806555	330.3649903240354	453.6864455896872	579.5930618578018	713.7049133141904	-1179.3040919000503	-929.9187349224383	-929.9187349224383	-929.9187349224383	-169.3180467901367	-187.13128657425185	-187.13128657425185	-187.13128657425185	330.3649903240354	330.3649903240354	330.3649903240354	-1180.1	-157.10130110100283			-935.5055512519008		-1004.1		-27.670688894152164		-1003.9	1365. oxalosuccinic acid?	-1180.1	E	-1038.2497222975353	-1004.0016652823239	-969.7536082671123	-935.5055512519008	-0.8000186518193605	-901.2574942366891	-867.0094372214776	-832.761380206266			-832.761380206266																														-187.08366136982752															-137.45521820975972	-150.88118263259514	-164.30714705543105	-171.0201292668487	-177.73311147826647	-187.13128657425185	-191.15907590110226	-204.5850403239378	-218.01100474677347	-244.8629335924458	-271.71486243811705
1366. OXALYLCoA	OXALYLCoA			1421	1366		1453																0																																																		0				OXALYLCoA																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1366. OXALYLCoA																																											0
1367. oxalylcoA-species	oxalylcoA-species	oxalylcoA-species	CoA-C2HO3	1422	1367	oxalylcoA-species	1454				2	0	0	3	0	0	0	-1	CoA	-5	3	3	72.02		-	-		-	-	-	-	-	-		-	-	-	-	-		-509.96	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-509.96	-509.96	A	0				oxalylcoA-species	637.4499999999999	'=-1.25*BW1455	-118.30587234506496	-118.33444746771946	-92.67823415227419	-510.76968892626417	-510.76968892626417	-510.77	6.0902935805629E-5	-510.76968892626417	-510.76968892626417	-0.8096889262641842	-527.8937174338699											-118.30587234506496	-118.30587234506496		-118.30587234506496	88.71413243908353		-556.1411839678015	42.77430001468082	54.90243161884798	68.9350424509457	88.66406329159543	111.86656038115385	136.10312187169743	163.62177743755072	-556.1411839678015	-556.1411839678015	-556.8816205629853	-556.8816205629853	-100.5212076836043	-118.33444746771946	-118.33444746771946	-118.33444746771946	88.66406329159543	88.66406329159543	88.66406329159543	-509.96	-43.72713883572544	-92.6782341522742	-92.6782341522742	-510.76968892626417	0.9999993909710128	-2309.4				-2312	1367. oxalylcoA-species	-509.96	A	-510.76968892626417	-510.76968892626417	-510.76968892626417	-510.76968892626417	-0.7683772649199945	-510.76968892626417	-510.76968892626417	-510.76968892626417	-510.76968892626417	-510.76968892626417	-510.76968892626417	-510.76968892626417	-510.7696749402697	-510.7696749402697	-510.7696749402697	-510.7696749402697	-510.7696749402697	-510.76968892626417	-536.4893736603927	-531.3451088802286	-510.76968892626417	-536.4893585780378	-531.3450940228084	-510.76968892626417	-510.76968892626417	-38.86908919410712	-55.99311770171289	-55.88043687518643	-55.90053652677773	-55.963389866317925	-510.76968892626417	-38.86908919410712	-55.99311770171289	-55.88043687518643	-55.90053652677773	-55.963389866317925	-92.65732552594167	-92.6782341522742	-92.65732552594166	-92.67823415227419	-132.50707689748162	14.201204552416677	-21.425275015813575	-57.05175458404383	-92.6782341522742	-128.30471372050445	-163.93119328873482	-199.55767285696507	14.20120455241668	-21.425275015813572	-57.05175458404382	-92.67823415227419	-128.30471372050445	-163.93119328873482	-199.55767285696507	74.16329815496198	22.13882115451388	-29.887053167769096	-55.90053652677773	-81.91439585886035	-118.33444746771946	-133.94327796573316	-185.9737705353616	-238.00594461471823	-342.07562149051233	-446.15287696890204	20.712853747784386	-9.931445489792686	-40.57714204920464	-55.90053652677773	-71.22430697742475	-92.67823415227419	-101.8730113214267	-132.52332612818395	-163.1753224446696	-224.48464379472153	-91.93779755709036	-92.5880111400235	-92.6782341522742	-92.74500369590308	-92.79793578496279	-91.93779755709035	-92.58801114002348	-92.67823415227419	-92.74500369590307	-92.79793578496277	-92.6782341522742	-92.6782341522742	-92.6782341522742	-92.6782341522742	-92.6782341522742	-92.67823415227419	-92.67823415227419	-92.67823415227419	-92.67823415227419	-92.67823415227419	-56.01027592805491	-531.3450940228084	-75.03346793820356	-92.8467077223187	-92.7937765475706	-92.72700815727161	-91.98658435186645	-56.01027592805491	-56.01027592805491	-510.7696749402697	-510.7696749402697	-43.79412368836876	-556.3182376648191		-0.1770536970175861	-0.1770536970175861	-556.3182376648191											0.001		-509.96
1368. oxalylcoA-species formula?	oxalylcoA-species formula?	oxalylcoA-species formula?	CoA-C2HO3	1423	1368	oxalylcoA-species formula?	1455				23	31	7	19	3	1	0	-1	CoA	-5	3	3	834.27	-3706.9	-	-		-	-	-	-	-	-		-	-	-	-	-		-509.96	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-3706.9	-3706.9	E	0				oxalylcoA-species formula?	4633.625	=-1.25*BW1456	117.80983026488943																					117.80983026488943	117.80983026488943		117.80983026488943	3535.5099195228413		-4042.591095086366	1432.1987006667555	2094.2691409710797	2779.0477967853703	3534.411340153989	4338.283209492899	5156.95126030689	6013.714408978986	-4042.591095086366	-2754.10008403537	-2754.840520630554	-2754.840520630554	135.4420942721922	117.62885448807705	1497.3395139914248	1647.533470593427	4028.0163443255483	1697.4291504333046	3534.411340153989	-3706.9	513.9644468456604			-2443.971703727752							1368. oxalylcoA-species formula?	-3706.9	E	-2974.816587463531	-2797.868292884938	-2620.919998306345	-2443.971703727752	-1.048204252972813	-2267.023409149159	-2090.075114570566	-1913.1268199919728			-1913.1268199919728																														117.80983026488943															1304.2881117265422	983.5713342893962	662.8531595304147	502.49352595305686	342.1335164026246	117.62885448807705	21.41233385905321	-299.3104591472725	-620.034933663327	-1261.4892114125205	-1902.9510677643073
1369. OXAMATE	OXAMATE			1427	1369		1472																0																																																						OXAMATE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1369. OXAMATE																																											0
1370. oxamic acid in 800 H2O	oxamic acid in 800 H2O	oxamic acid in 800 H2O	NH2C(O)CO2H	1428	1370	oxamic acid in 800 H2O	1473				2	3	1	3	0	0	0	0		-6	2	10	89.03	-537.3	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-640.6	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-537.3	-537.3	E	0				oxamic acid in 800 H2O	-640.6	E<Z	30.126065479156388																					30.126065479156388	30.126065479156388		30.126065479156388	166.63599958581318		-533.14236122757	67.25151789061974	97.19288927890203	129.0387398951149	166.58100051987975	207.59673739355335	249.64653866821212	294.97843401818056	-533.14236122757	-408.44968273876395	-408.44968273876395	-408.44968273876395	47.910730140617034	30.097490356501886	30.097490356501886	30.097490356501886	237.09600111581676	-95.84502658307517	166.58100051987975	-537.3	52.039774464588334			-415.0027756259504							1370. oxamic acid in 800 H2O	-537.3	E	-466.3748611487677	-449.25083264116194	-432.12680413355616	-415.0027756259504	-1.072592443348643	-397.87874711834456	-380.7547186107388	-363.630690103133			-363.630690103133																														30.126065479156388															52.38129772973866	46.35864708832342	40.3359964469079	37.32467112620043	34.31334580549277	30.097490356501886	28.29069516407731	22.26804452266201	16.245393881246656	4.200092598415608	-7.845208684415045
1371. OXOPROLINE	OXOPROLINE			1429	1371		1474																0																																																		0				OXOPROLINE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1371. OXOPROLINE																																											0
1372. oxoproline-species	oxoproline-species	oxoproline-species	C5H6NO3 -	1430	1372	oxoproline-species	1475		149-87-1		5	6	1	3	0	0	0	-1		-2	18	26	128.06		-	-		-	-	-	-	-	-		-	-	-	-	-		-469.15	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-469.15	-469.15	A	0				oxoproline-species	-1005.25	XX<=Glu	239.64772712793533	239.61915200528082	239.61915200528082	-225.36006572362325	-225.36006572362325	-225.36	-2.9163828574318984E-5	-225.36006572362325	-225.36006572362325	-0.8096889262641842	-247.34731832738908											239.64772712793533	239.64772712793533		239.64772712793533	686.6876684108148		-447.5729414724132	304.6774233536173	424.0639512846109	548.2116772854308	686.600428307631	833.6728699521027	983.3304725990375	1141.1933104342465	-447.5729414724132	-198.18758449480117	-198.928021089985	-198.928021089985	257.432391789396	239.61915200528082	239.61915200528082	239.61915200528082	757.115428903568	424.1744012046761	686.600428307631	-469.15	241.67730991237372	239.61915200528082	239.61915200528082	-225.365240178165	1.0000232524767705	-233.6	0.00211386405751322	-3.321864688859007	-3.32397855291652	-234.2	1372. oxoproline-species	-469.15	A	-328.10941122379967	-293.8613542085881	-259.6132971933766	-225.365240178165	-2.063374844046398	-191.11718316295344	-156.8691261477419	-122.62106913253035	-225.3652401781651	-191.11718316295355	-122.62106913253035	-156.869126147742	-293.86134022259375	-259.6132832073822	-225.3652261921706	-191.11716917695907	-156.86911216174752	-225.36006572362325	-186.0153691645137	-193.88698249995977	-230.2232898197833	-186.01535408215875	-193.8869676425397	-230.2232898197833	-230.2232898197833	241.67730991237374	224.55328140476797	224.6659622312944	224.6458625797031	224.5830092401629	-230.2232898197833	241.67730991237374	224.55328140476797	224.6659622312944	224.6458625797031	224.5830092401629	239.64006063161335	239.61915200528082	239.64006063161335	239.61915200528082	0.028575122654501683	239.61915200528082	239.61915200528088	239.61915200528094	239.61915200528082	239.61915200528088	239.61915200528082	239.61915200528088	239.61915200528082	239.61915200528088	239.61915200528094	239.61915200528082	239.61915200528088	239.61915200528082	239.61915200528088	193.44469649786066	205.92621980284548	218.40634578599528	224.6458625797031	230.885003400337	239.61915200528082	243.3621215988967	255.8376293347016	268.31145556077763	293.2537792958495	318.1885244283255	193.44469649786066	205.92621980284548	218.40634578599528	224.6458625797031	230.885003400337	239.61915200528082	243.3621215988967	255.8376293347016	268.31145556077763	293.2537792958495	240.35958860046466	239.70937501753153	239.61915200528082	239.552382461652	239.4994503725923	240.35958860046466	239.70937501753153	239.61915200528082	239.552382461652	239.4994503725923	239.61915200528082	239.61915200528082	239.61915200528082	239.61915200528082	239.61915200528082	239.61915200528082	239.61915200528082	239.61915200528082	239.61915200528082	239.61915200528082	224.53612317842595	-199.04770786525347	257.2639182193514	239.45067843523626	239.5036096099844	239.57037800028334	240.31080180568856	224.53612317842595	224.53612317842595	-259.6132832073822	-259.6132832073822	241.61032505973031	-201.74493558081633		0.8852684850879307	-0.1770536970175861	-202.80725776292184											0.001		-469.15
1373. oxoprolinic acid?	oxoprolinic acid?	oxoprolinic acid?	C5H6NO3 -	1431	1373	oxoprolinic acid?	1476				5	7	1	3	0	0	0	0		-2	18	26	129.06	-536.2																																												0.001	-17.813239784115144	-536.2	-536.2	E	0				oxoprolinic acid?	-1005.25	XX<=Glu	212.20374826271055																					212.20374826271055	212.20374826271055		212.20374826271055	659.2436895455901		-517.3215830957572	259.42020470427735	384.744479229976	514.829951825501	659.1564494424063	812.1666376815831	967.7619869232228	1131.5625713531367	-517.3215830957572	-226.3719999552098	-226.3719999552098	-226.3719999552098	229.9884129241712	212.17517314005605	212.17517314005605	212.17517314005605	729.6714500383432	396.73042233945125	659.1564494424063	-536.2	216.20274029665433			-250.8398097938844							1373. oxoprolinic acid?	-536.2	E	-370.7080093471248	-330.751942829378	-290.7958763116312	-250.8398097938844	-1.8459731668473152	-210.88374327613758	-170.92767675839076	-130.97161024064394			-130.97161024064394																														212.20374826271055															169.23594564954465	180.8411422686019	192.4463388876588	198.24893719718756	204.0515355067162	212.17517314005605	215.6567321257731	227.26192874483036	238.86712536388748	262.07751860200153	285.28791184011584
1374. OXYGEN	OXYGEN			1393	1374		1437																0																																																		0				OXYGEN																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1374. OXYGEN																																											0
1375. oxygen11: O (g)	oxygen11: O (g)	O (g)	O	1394	1375	O (g)	1438				0	0	0	1	0	0	0	0		-2	-2	-2	16		-	231.731		-	231.7	-	-	-	-		-	-	231.77268	-	231.743		-	-	-	249.18	249.17	-		-249.18	-	-	249.194856	-		-	-	-	-	-	-	-	-	-	161.055	-	-	-	-	0.001	-17.813239784115144	231.731	231.731	Z	0				oxygen11: O (g)	249.17	Z	365.3455345719773	365.3360095310925	365.3360095310925	231.731	231.731		-100	231.731	231.731	0	214.60697149239422											365.3455345719773	365.3455345719773		365.3455345719773	365.3455345719773		231.02911168874726	400.96248909932274	389.0869959099127	377.2115027205026	365.3360095310925	353.46051634168236	341.58502315227224	329.7095299628622	231.02911168874726	231.02911168874726	231.02911168874726	231.02911168874726	383.1492493152076	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	231.731	387.4118500301796	365.3360095310925	365.3360095310925	231.731							1375. oxygen11: O (g)	231.731	Z	231.731	231.731	231.731	231.731	0.5765932679355688	231.731	231.731	231.731	231.731	231.731	231.731	231.731	231.731	231.731	231.731	231.731	231.731	231.731	230.8536396109341	231.02911168874726	231.731	230.8536396109341	231.02911168874726	231.731	231.731	389.031199910719	371.90717140311324	371.90717140311324	371.90047151924944	371.90047151924944	231.731	389.031199910719	371.90717140311324	371.90717140311324	371.90047151924944	371.90047151924944	365.3429790732033	365.3360095310925	365.3429790732033	365.3360095310925	-35.616954527345456	400.96248909932274	389.0869959099127	377.2115027205026	365.3360095310925	353.46051634168236	341.58502315227224	329.7095299628622	400.96248909932274	389.0869959099127	377.2115027205026	365.3360095310925	353.46051634168236	341.58502315227224	329.7095299628622	385.57643399457646	380.1060490044457	374.6356640143148	371.90047151924944	369.16527902418403	365.3360095310925	363.6948940340532	358.2245090439224	352.75412405379166	341.81335407352987	330.87258409326824	385.57643399457646	380.1060490044457	374.63566401431484	371.90047151924944	369.16527902418403	365.3360095310925	363.6948940340532	358.2245090439224	352.75412405379166	341.81335407352987	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	365.3360095310925	371.88483845690064	231.02911168874726	383.1329870502822	365.3197472661671	365.3197472661671	365.3197472661671	365.3197472661671	371.88483845690064	371.88483845690064	231.731	231.731	387.389517083967	231.02911168874726		0	0	231.02911168874726													231.731
1376. oxygen20	oxygen20			1395	1376		1439																0																																																		0				oxygen20																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1376. oxygen20																																											0
1377. oxygen21: o2g-species	oxygen21: o2g-species	o2g-species	O2	1396	1377	o2g-species	1440				0	0	0	2	0	0	0	0		-4	-4	-4	32	0.20946	0	0	0	-	-	-	0	-	-		-	-	0	0	0		0	-	0	0	0	0	0	0	0	-	0	-		0	-	-	0	24.674	0	0	205.15105064031303	0	205.138	205.04	205.043	-	-	0.21	-4.024490074650457	0	0	A	0				oxygen21: o2g-species	0	A	300.2348352600399	300.2157851782702	300.20914561653353	0	0	0		0	0	0	-3.8751613770395705											300.2348352600399	300.2348352600399		300.2348352600399	300.2348352600399		0	371.46210475299415	347.71111837417396	323.9601319953538	300.20914561653353	276.4581592377134	252.70717285889313	228.95618648007294	0	0	0	0	304.24027525292064	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	0	311.36170006035917	300.20914561653353	300.20914561653353	0							1377. oxygen21: o2g-species	0	A	0	0	0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	314.60039982143803	310.7252384443985	310.7252384443985	310.71183867667094	310.71183867667094	0	314.60039982143803	310.7252384443985	310.7252384443985	310.71183867667094	310.71183867667094	300.22308470075524	300.20914561653353	300.22308470075524	300.20914561653353	-71.22726949295424	371.46210475299415	347.71111837417396	323.9601319953538	300.20914561653353	276.4581592377134	252.70717285889313	228.95618648007294	371.46210475299415	347.71111837417396	323.9601319953538	300.20914561653353	276.4581592377134	252.70717285889313	228.95618648007294	332.5924492186236	323.84020500184255	315.0879607850614	310.71183867667094	306.3357165682803	300.20914561653353	297.5834723514992	288.8312281347181	280.078983917937	262.5744954843746	245.07000705081245	332.5924492186236	323.84020500184255	315.0879607850614	310.71183867667094	306.3357165682803	300.20914561653353	297.5834723514992	288.8312281347181	280.078983917937	262.5744954843746	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	300.20914561653353	310.6805725519732	0	304.2077507230699	300.1766210866828	300.1766210866828	300.1766210866828	300.1766210866828	310.6805725519732	310.6805725519732	0	0	311.31703416793397	0		0	0	0													0
1378. oxygen22: o2aq-species	oxygen22: o2aq-species	o2aq-species	O2	1397	1378	o2aq-species	1441				0	0	0	2	0	0	0	0		-4	-4	-4	32		3.9	16.4	16.3176	-	-	-	16.52	-	-		-	-	-	-	-		16.4	-	-12.06	-	-11.7	-2.89	-12.09176	-	-	-	-	-		-11.7	-	-	-	-	-	-	-	-	110.9	109.2	-	-	-	2.5E-4	-21.388119447430906	16.4	16.4	AZWM	0				oxygen22: o2aq-species	-11.7	AZWM	300.40218022903366	300.38313014726396	303.95800981057977	16.4	16.4	16.4	0	16.4	16.4	0	-0.7240285076057731											300.40218022903366	300.40218022903366		300.40218022903366	300.40218022903366		17.530974341774275	371.6360892837246	347.88510290490444	324.1341165260842	300.38313014726396	276.6321437684438	252.8811573896236	229.13017101080345	17.530974341774275	17.530974341774275	17.530974341774275	17.530974341774275	321.7712495946949	300.38313014726396	300.38313014726396	300.38313014726396	300.38313014726396	300.38313014726396	300.38313014726396	16.4	327.76170006035915	303.95800981057977	303.95800981057977	16.4	1	16.4	0	0	0	16.4	1378. oxygen22: o2aq-species	16.4	AZWM	16.4	16.4	16.4	16.4	17.317206111526446	16.4	16.4	16.4	16.4	16.4	16.4	16.4	16.4	16.4	16.4	16.4	16.4	16.4	17.81371792721784	17.530974341774275	16.4	17.81371792721784	17.530974341774275	16.4	16.4	331.000399821438	313.87637131383224	313.87637131383224	313.8629715461047	313.8629715461047	16.4	331.000399821438	313.87637131383224	313.87637131383224	313.8629715461047	313.8629715461047	303.97194889480147	303.95800981057977	303.97194889480147	303.95800981057977	-74.80878871800672	375.2109689470404	351.4599825682202	327.7089961894	303.95800981057977	280.20702343175964	256.4560370529394	232.7050506741192	375.2109689470404	351.4599825682202	327.7089961894	303.95800981057977	280.20702343175964	256.4560370529394	232.7050506741192	331.3499016596007	322.9805039535638	314.6111062475268	310.4264073945084	306.2417085414899	300.38313014726396	297.872310835453	289.502913129416	281.13351542337915	264.394720011305	247.6559245992312	334.49830849511477	326.2441737155108	317.9900389359067	313.8629715461047	309.73590415630264	303.95800981057977	301.4817693766986	293.22763459709455	284.97349981749056	268.4652302582822	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	313.831705421407	17.530974341774275	321.7387250648442	303.92548528072905	303.92548528072905	303.92548528072905	303.92548528072905	313.831705421407	313.831705421407	16.4	16.4	327.71703416793395	17.530974341774275		0	0	17.530974341774275											0.001		16.4
1379. oxygen23: o2aq-species	oxygen23: o2aq-species	o2aq-species	O2	1398	1379	o2aq-species	1442				0	0	0	2	0	0	0	0		-4	-4	-4	32	16.4	3.9	16.4	16.3176	-	-	-	16.52	-	-		-	-	-	-	-		16.4	-	-12.06	-	-11.7	-2.89	-12.09176	-	-	-	-	-		-11.7	-	-	-	-	-	-	-	-	110.9	109.2	-	-	-	2.5E-4	-21.388119447430906	16.4	16.4	E	0				oxygen23: o2aq-species	-11.7	<AZWM	300.40218022903366																					300.40218022903366	300.40218022903366		300.40218022903366	300.40218022903366		17.530974341774275	371.6360892837246	347.88510290490444	324.1341165260842	300.38313014726396	276.6321437684438	252.8811573896236	229.13017101080345	17.530974341774275	17.530974341774275	17.530974341774275	17.530974341774275	321.7712495946949	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	303.95800981057977	16.4	327.76170006035915			16.4		16.4	-6.615685469396972	0	6.615685469396972	16.4	1379. oxygen23: o2aq-species	16.4	E	16.4	16.4	16.4	16.4	17.317206111526446	16.4	16.4	16.4			16.4																														300.40218022903366															334.49830849511477	326.2441737155108	317.9900389359067	313.8629715461047	309.73590415630264	303.95800981057977	301.4817693766986	293.22763459709455	284.9734998174905	268.4652302582822	251.95696069907413
1380. oxygen30	oxygen30			1399	1380		1443																0																																																		0				oxygen30																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1380. oxygen30																																											0
1381. oxygen31: o2- (superoxide anion)	oxygen31: o2- (superoxide anion)	o2-	O2-	1400	1381	o2-	1444				0	0	0	2	0	0	0	-1		-3	-3	-3	32	-	-	-		28.9	-	-	-	-	-		-	-	(gas)-38.007456	-	-		-	-	-	-	-	-		-	-	-	(gas)-51.58872	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	28.9	28.9	T-estimated	0				oxygen31: o2- (superoxide anion)	-11.7	XX<	316.2397257623677	316.220675680598	316.220675680598	28.090311073735815	28.090311073735815		-100	28.090311073735815	28.090311073735815	-0.8096889262641842	10.966282566130044											316.2397257623677	316.2397257623677		316.2397257623677	316.2397257623677		30.53407680697635	387.4736348170586	363.7226484382384	339.97166205941824	316.220675680598	292.46968930177786	268.7187029229576	244.9677165441374	30.53407680697635	30.53407680697635	29.793640211792503	29.793640211792503	334.0339154647131	316.220675680598	316.220675680598	316.220675680598	316.220675680598	316.220675680598	316.220675680598	28.9	339.45201113409496	316.220675680598	316.220675680598	28.090311073735815		-				-	1381. oxygen31: o2- (superoxide anion)	28.9	T-estimated	28.090311073735815	28.090311073735815	28.090311073735815	28.090311073735815	10.257964532049948	28.090311073735815	28.090311073735815	28.090311073735815	28.090311073735815	28.090311073735815	28.090311073735815	28.090311073735815	28.090325059730294	28.090325059730294	28.090325059730294	28.090325059730294	28.090325059730294	28.090311073735815	30.06943566377293	29.673938579103982	28.090311073735815	30.069450746127853	29.673953436524055	28.090311073735815	28.090311073735815	342.6907108951738	325.56668238756805	325.6793632140945	325.66596344636696	325.60311010682676	28.090311073735815	342.6907108951738	325.56668238756805	325.6793632140945	325.66596344636696	325.60311010682676	316.2346147648197	316.220675680598	316.2346147648197	316.220675680598	-71.23390905469091	387.4736348170586	363.7226484382384	339.97166205941824	316.220675680598	292.46968930177786	268.7187029229576	244.9677165441374	387.4736348170586	363.7226484382384	339.97166205941824	316.220675680598	292.46968930177786	268.7187029229576	244.9677165441374	345.3368331798303	337.4695421586928	329.60085381572037	325.66596344636696	321.7306971039397	316.220675680598	313.85900097637733	305.9856943860597	298.1107062860135	282.3554013688408	266.5925178490721	345.3368331798303	337.4695421586928	329.60085381572037	325.66596344636696	321.7306971039397	316.220675680598	313.85900097637733	305.9856943860597	298.1107062860135	282.3554013688408	316.9611122757819	316.3108986928487	316.220675680598	316.15390613696917	316.1009740479095	316.9611122757819	316.3108986928487	316.220675680598	316.15390613696917	316.1009740479095	316.220675680598	316.220675680598	316.220675680598	316.220675680598	316.220675680598	316.220675680598	316.220675680598	316.220675680598	316.220675680598	316.220675680598	325.57185710743875	29.673953436524055	333.881704159594	316.06846437547887	316.121395550227	316.18816394052595	316.92858774593117	325.57185710743875	325.57185710743875	28.090325059730294	28.090325059730294	339.40735922766424	30.357023109958764		-0.1770536970175861	-0.1770536970175861	30.357023109958764													28.9
1382. PALMITATE	PALMITATE			1432	1382		1477																0																																																		0				PALMITATE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1382. PALMITATE																																											0
1383. palmitate11: -species	palmitate11: -species	palmitate-species	C16H31O2 -	1433	1383	palmitate-species	1478				16	31	0	2	0	0	0	-1		28	92	92	255.16		-62	-	-259.408	-	-	-	-	-	-	-	-	-	-	-	-		-259.4	-	-	-	-	-		-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-259.4	-259.4	A	-266.93919999999997	-63.8	7.539199999999994		palmitate11: -species	-887.008	XC<>-W	1340.0567505648307	1340.037700483061	1340.037700483061	1003.5550309540474	1003.5550309540474	1003.54	-0.001497770783254193	1003.5550309540473	1003.5550309540473	-0.8096889262641842	961.3043446162812											1340.0567505648307	1340.0567505648307		1340.0567505648307	2996.2167888380186		-234.13990944155626	1292.9146965336272	1835.270743969843	2392.862625229503	2996.02578655758	3626.976757876926	4266.200244404154	4931.680483533858	-234.13990944155626	1054.3511016094394	1053.6106650142556	1053.6106650142556	1357.8509402671762	1340.037700483061	1340.037700483061	1340.037700483061	2996.02578655758	2996.02578655758	2996.02578655758	-259.4	1314.8899963326076	1340.037700483061	1340.037700483061	1003.5282962722483	0.9999883375572955						1383. palmitate11: -species	-259.4	A	472.6834125364691	649.6317071150622	826.5800016936553	1003.5282962722483	0.3353452568728418	1180.4765908508411	1357.4248854294342	1534.3731800080272	1003.5282962722479	1180.4765908508407	1534.3731800080272	1357.4248854294337	649.6317211010562	826.5800156796493	1003.5283102582423	1180.4766048368351	1357.4248994154282	1003.5550309540474	1099.3237042946841	1080.154787865588	978.428373123887	1099.3237193770392	1080.154802723008	978.428373123887	978.428373123887	1293.028772945325	1275.9047444377193	1276.0174252642457	1276.0040254965181	1275.941172156978	978.428373123887	1293.028772945325	1275.9047444377193	1276.0174252642457	1276.0040254965181	1275.941172156978	1340.0516395672828	1340.037700483061	1340.0516395672828	1340.037700483061	480.9765242528787	859.0802263119521	1019.3993843689885	1179.7185424260247	1340.037700483061	1500.3568585400974	1660.6760165971336	1820.99517465417	859.0802263119521	1019.3993843689885	1179.7185424260247	1340.037700483061	1500.3568585400974	1660.6760165971336	1820.99517465417	1142.5937228293315	1195.9589007684538	1249.3226813857418	1276.0040254965181	1302.6849936342207	1340.037700483061	1356.0457664669184	1409.404928836861	1462.7624096970744	1569.472042700422	1676.1740971011734	1142.5937228293315	1195.9589007684538	1249.3226813857418	1276.0040254965181	1302.6849936342207	1340.037700483061	1356.0457664669184	1409.404928836861	1462.7624096970744	1569.472042700422	1340.7781370782448	1340.1279234953115	1340.037700483061	1339.970930939432	1339.9179988503724	1340.7781370782448	1340.1279234953115	1340.037700483061	1339.970930939432	1339.9179988503724	1340.037700483061	1340.037700483061	1340.037700483061	1340.037700483061	1340.037700483061	1340.037700483061	1340.037700483061	1340.037700483061	1340.037700483061	1340.037700483061	1275.90991915759	1053.490978238987	1357.698728962057	1339.8854891779417	1339.93842035269	1340.0051887429888	1340.745612548394	1275.90991915759	1275.90991915759	826.5800156796493	826.5800156796493	1314.8453444261763	1036.7091780692676		5.311610910527583	-0.1770536970175861	1031.2205134617225											0.001		-259.4
1384. palmitate20	palmitate20			1434	1384		1479																0																																																		0				palmitate20																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1384. palmitate20																																											0
1385. palmitate21: -species	palmitate21: -species	palmitate-species	C16H31O2 -	1435	1385	palmitate-species	1480				16	31	0	2	0	0	0	-1		28	92	92	255.16		-62	-	-259.408	-	-	-	-	-	-	-	-	-	-	-	-		-259.4	-	-	-	-	-		-	-	-	-	-	-	_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-259.408	-259.408	WA	0				palmitate21: -species	-887.008	X<-W	1340.048428579253	1340.029378497483	1340.029378497483	1003.5470309540474	1003.5470309540474		-100	1003.5470309540473	1003.5470309540473	-0.8096889262641842	961.2963446162812	1392.3820064477204	52.3335778684675	6.511937503246348E8	6.511937503246348E8							1340.048428579253	1340.048428579253		1340.048428579253	2996.208466852441		-234.14823142713402	1292.9063745480496	1835.262421984265	2392.854303243925	2996.017464572002	3626.9684358913482	4266.191922418576	4931.67216154828	-234.14823142713402	1054.3427796238616	1053.6023430286778	1053.6023430286778	1357.8426182815983	1340.029378497483	1340.029378497483	1340.029378497483	2996.017464572002	2996.017464572002	2996.017464572002	-259.408	1314.8819963326075	1340.029378497483	1340.029378497483	1003.5202962722483							1385. palmitate21: -species	-259.408	WA	472.6754125364691	649.6237071150622	826.5720016936552	1003.5202962722483	0.33534760936783964	1180.4685908508413	1357.4168854294344	1534.3651800080274	1003.5202962722478	1180.4685908508404	1534.3651800080274	1357.4168854294335	649.6237211010562	826.5720156796492	1003.5203102582423	1180.4686048368349	1357.416899415428	1003.5470309540474	1099.3153018127118	1080.1464658800103	978.420373123887	1099.3153168950669	1080.1464807374302	978.420373123887	978.420373123887	1293.020772945325	1275.8967444377192	1276.0094252642455	1275.996025496518	1275.933172156978	978.420373123887	1293.020772945325	1275.8967444377192	1276.0094252642455	1275.996025496518	1275.933172156978	1340.043317581705	1340.029378497483	1340.043317581705	1340.029378497483	480.97652425287856	859.0719043263744	1019.3910623834107	1179.7102204404468	1340.029378497483	1500.3485365545196	1660.6676946115558	1820.986852668592	859.0719043263744	1019.3910623834107	1179.7102204404468	1340.029378497483	1500.3485365545196	1660.6676946115558	1820.986852668592	1142.5863936326182	1195.951303250426	1249.3148155463991	1275.996025496518	1302.6768594735634	1340.029378497483	1356.037363984946	1409.3962580335742	1462.7534705724725	1569.4625669331906	1676.1640846913124	1142.5863936326182	1195.951303250426	1249.3148155463991	1275.996025496518	1302.6768594735634	1340.029378497483	1356.037363984946	1409.3962580335742	1462.7534705724725	1569.4625669331906	1340.769815092667	1340.1196015097337	1340.029378497483	1339.9626089538542	1339.9096768647946	1340.769815092667	1340.1196015097337	1340.029378497483	1339.9626089538542	1339.9096768647946	1340.029378497483	1340.029378497483	1340.029378497483	1340.029378497483	1340.029378497483	1340.029378497483	1340.029378497483	1340.029378497483	1340.029378497483	1340.029378497483	1275.9019191575899	1053.4826562534092	1357.6904069764792	1339.877167192364	1339.9300983671121	1339.996866757411	1340.7372905628163	1275.9019191575899	1275.9019191575899	826.5720156796492	826.5720156796492	1314.8373444261763	1036.7008560836898		5.311610910527583	-0.1770536970175861	1031.2121914761447											0.001		-259.408
1386. palmitate22: palmitic acid (c)	palmitate22: palmitic acid (c)	palmitic acid (c)	C16H32O2	1436	1386	palmitic acid (c)	1481				16	32	0	2	0	0	0	0		28	92	92	256.15999999999997		-68.8	-	-216.5824	-305	-	-	-	-	-25.7	-107.5288	-	-	-	-	-		-	-	-	-891.5	-	-		-	-	-	-	-	-	-	-213.07	-891.48488	-	-	-	-	-	-	-	-	-	-	-	1	0	-216.5824	-216.5824	W	0				palmitate22: palmitic acid (c)	-887.008	X<-W	1444.7155843161881	1444.6965342344183	1352.737731746966	1087.9489237474181	1016.6721237474181		-100	1087.9489237474183	1016.6721237474183	0	973.610900060292		-52.33357786846773	1.535641273432659E-9								1444.7155843161881	1444.7155843161881		1444.7155843161881	3100.875622589376		-189.59897823243335	1379.7602905008696	1928.05408453179	2491.583712386155	3100.684620308937	3737.5733382229882	4382.734571344921	5054.152557069331	-189.59897823243335	1140.4562589814977	1140.4562589814977	1140.4562589814977	1444.6965342344183	1444.6965342344183	1444.6965342344183	1444.6965342344183	3100.684620308937	3100.684620308937	3100.684620308937	-216.5824	1399.2830267168881	1352.737731746966	1352.737731746966	1087.921326656529							1386. palmitate22: palmitic acid (c)	-216.5824	W	539.952414413144	722.6087184942722	905.2650225754005	1087.921326656529	0.3279596133630202	1270.5776307376573	1453.2339348187854	1635.8902388999138	1016.6445266565282	1199.3008307376567	1635.8902388999138	1381.9571348187847	651.3319184942718	833.9882225754001	1016.6445266565282	1199.3008307376567	1381.9571348187847	1016.6721237474181	1113.1452866086888	1093.834644132634	990.7349285678978	1113.1452866086888	1093.834644132634	990.7349285678978	990.7349285678978	1305.3353283893357	1288.21129988173	1288.21129988173	1288.1979001140026	1288.1979001140026	990.7349285678978	1305.3353283893357	1288.21129988173	1288.21129988173	1288.1979001140026	1288.1979001140026	1352.7516708311875	1352.737731746966	1352.7516708311875	1352.737731746966	590.7485665244463	853.9670177917418	1020.2239224434833	1186.4808270952244	1352.737731746966	1518.9946363987074	1685.2515410504486	1851.50844570219	853.9670177917418	1020.2239224434833	1186.4808270952244	1352.737731746966	1518.9946363987074	1685.2515410504486	1851.50844570219	1219.040128580043	1275.213957193627	1331.3877858072108	1359.4747001140024	1387.5616144207945	1426.883294450303	1443.7354430343785	1499.9092716479627	1556.083100261546	1668.4307574887139	1780.7784147158816	1153.7399175453288	1207.5231105727987	1261.306303600268	1288.1979001140026	1315.0894966277374	1352.737731746966	1368.8726896552068	1422.6558826826767	1476.4390757101455	1584.0054617650849	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1352.737731746966	1288.1666339893047	1066.3106962781605	1370.5184470012305	1352.7052072171152	1352.7052072171152	1352.7052072171152	1352.7052072171152	1288.1666339893047	1288.1666339893047	833.9882225754001	833.9882225754001	1327.9615608244621	1122.4280062401772		5.6657183045627555	0	1116.7622879356145											0.001		-216.5824
1387. palmitate23: blend	palmitate23: blend	palmitate reactant		1437	1387	palmitate reactant	1482				16	?	0	2	0	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	W	0				palmitate23: reactant	-	X<-W						1003.54										1340.048428579253					1340.048428579253		1340.048428579253		1340.048428579253	2996.208466852441		-234.1482314660007	1292.9063745480496	1835.262421984265	2392.854303243925	2996.017464572002	3626.9684358913482	4266.191922418576	4931.67216154828	-234.1482314660007	1054.3427796238616	1053.6023430286778	1053.6023430286778	1357.8426182815983	1340.029378497483	1340.029378497483	1340.029378497483	2996.017464572002	2996.017464572002	2996.017464572002	-259.408000077902	1314.8819963326075	1340.0147035777966	1340.0147035777966	1003.5202962722483	0.9999803657773964	1002.9	0.007948394230470382	-0.25022469725818647	-0.25817309148865686	999.5	1387. palmitate23: reactant	-	W	472.67541253646505	649.6237071150617	826.5720016936552	1003.5202962722483	0.33534760936783964	1180.4685908508413	1357.4168854294344	1534.3651800080274	1003.50788216679	1180.4673466390286	1534.3651800080274	1357.4167609801468	648.6152243997282	826.4505858047967	1003.5078960829203	1180.467360618005	1357.4167749654391	1003.5346211558151	1099.3059576215107	1080.1365726746235	978.4031803744015	1099.305972647121	1080.1365874728674	978.4031803744015	978.4031803744015	1293.0035801958395	1275.8795516882337	1275.9914358800447	1275.9780361123173	1275.9156315657392	978.4031803744015	1293.0035801958395	1275.8795516882337	1275.9914358800447	1275.9780361123173	1275.9156315657392	1340.0286426620185	1340.0147035777966	1340.0286426620185	1340.0147035777966	486.37899093081785	853.6694376484351	1018.0543964118526	1179.55378511472	1340.0147035777966	1500.347195346482	1660.6675723317533	1820.986841522663	853.6694376484351	1018.0543964118526	1179.55378511472	1340.0147035777966	1500.347195346482	1660.6675723317533	1820.986841522663	1142.5863936326182	1195.951303250426	1249.3148155463991	1275.996025496518	1302.6768594735634	1340.029378497483	1356.037363984946	1409.3962580335742	1462.7534705724725	1569.4625669331906	1676.1640846913124	1142.5589871542495	1195.9281322495547	1249.2952390383703	1275.9780361123173	1302.66033146771	1340.0147035777966	1356.0234197339078	1409.3845022091484	1462.7435671132723	1569.4555548077894	1340.7500522953078	1340.104384315918	1340.0147035777966	1339.9483228990641	1339.8956917705093	1340.7500522953078	1340.104384315918	1340.0147035777966	1339.9483228990641	1339.8956917705093	1340.0147035777966	1340.0147035777966	1340.0147035777966	1340.0147035777966	1340.0147035777966	1340.0147035777966	1340.0147035777966	1340.0147035777966	1340.0147035777966	1340.0147035777966	1275.8843784738067	1053.4686710755411	1357.676421798611	1339.8631820144958	1339.9158122321996	1339.982191762235	1340.7175277654571	1275.8843784738067	1275.8843784738067	826.4505858047967	826.4505858047967	1297.7009017432486
1388. palmitate25: palmitic acid ?	palmitate25: palmitic acid ?	palmitic acid ?	C16H32O2	1438	1388	palmitic acid ?	1484				16	32	0	2	0	0	0	0		28	92	92	256.15999999999997	-287.6	-71.5	-	-299.156	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-287.6	-287.6	E	0				palmitate25: palmitic acid ?	-887.008	X<-W	1353.026414161454																					1353.026414161454	1353.026414161454		1353.026414161454	3009.186452434642		-263.4749086030522	1288.0711203461353	1836.3649143770563	2399.894542231421	3008.9954501542034	3645.8841680682544	4291.0454011901875	4962.463386914596	-263.4749086030522	1066.580328610879	1066.580328610879	1066.580328610879	1370.8206038637995	1353.0073640796843	1353.0073640796843	1353.0073640796843	3008.9954501542034	3008.9954501542034	3008.9954501542034	-287.6	1328.265426716888			1016.9037266565289							1388. palmitate25: palmitic acid ?	-287.6	E	468.93481441314395	651.5911184942722	834.2474225754005	1016.9037266565289	0.3305354073291292	1199.5600307376571	1382.2163348187855	1564.872638899914			1564.872638899914																														1353.026414161454															1153.977383518832	1207.7692701569006	1261.5611567949686	1288.4571001140025	1315.3530434330366	1353.0073640796843	1369.144930071105	1422.9368167091734	1476.7287033472412	1584.3124766233775	1691.896249899514
1389. pamitate24: palmitic acid (eq, buf)	pamitate24: palmitic acid (eq, buf)	palmitic acid (eq, buf)	C16H32O2	1439	1389	palmitic acid (eq, buf)	1483				16	32	0	2	0	0	0	0		28	92	92	256.15999999999997		-71.5	-	-299.156	-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-299.156	-299.156	W	0				pamitate24: palmitic acid (eq, buf)	-887.008	X<-W	1341.0053059944241	1340.9862559126543	1340.9862559126543	1005.3753237474182	1005.3753237474182		-100	1005.3753237474183	1005.3753237474183	0	962.314100060292											1341.0053059944241	1341.0053059944241		1341.0053059944241	2997.165344267612		-275.4960167700822	1276.0500121791054	1824.3438062100263	2387.8734340643914	2996.9743419871734	3633.863059901224	4279.024293023157	4950.442278747567	-275.4960167700822	1054.559220443849	1054.559220443849	1054.559220443849	1358.7994956967696	1340.9862559126543	1340.9862559126543	1340.9862559126543	2996.9743419871734	2996.9743419871734	2996.9743419871734	-299.156	1316.7094267168882	1340.9862559126543	1340.9862559126543	1005.347726656529							1389. pamitate24: palmitic acid (eq, buf)	-299.156	W	457.37881441314397	640.0351184942722	822.6914225754006	1005.347726656529	0.33387212248859105	1188.0040307376573	1370.6603348187855	1553.3166388999139	1005.3477266565283	1188.0040307376566	1553.3166388999139	1370.6603348187848	640.0351184942717	822.6914225754001	1005.3477266565283	1188.0040307376566	1370.6603348187848	1005.3753237474182	1101.2801418157992	1082.0831682983223	979.4381285678978	1101.2801418157992	1082.0831682983223	979.4381285678978	979.4381285678978	1294.0385283893359	1276.91449988173	1276.91449988173	1276.9011001140025	1276.9011001140025	979.4381285678978	1294.0385283893359	1276.91449988173	1276.91449988173	1276.9011001140025	1276.9011001140025	1341.0001949968762	1340.9862559126543	1341.0001949968762	1340.9862559126543	498.7897640369939	842.2155419574302	1008.4724466091717	1174.7293512609128	1340.9862559126543	1507.2431605643958	1673.500065216137	1839.7569698678785	842.2155419574302	1008.4724466091717	1174.7293512609128	1340.9862559126543	1507.2431605643958	1673.500065216137	1839.7569698678785	1143.3903588668113	1196.794655365688	1250.1989518645644	1276.9011001140025	1303.6032483634408	1340.9862559126543	1357.0075448623172	1410.411841361194	1463.8161378600703	1570.6247308578234	1677.4333238555764	1143.3903588668113	1196.794655365688	1250.1989518645644	1276.9011001140025	1303.6032483634408	1340.9862559126543	1357.0075448623172	1410.411841361194	1463.8161378600703	1570.6247308578234	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1340.9862559126543	1276.8698339893049	1054.559220443849	1358.766971166919	1340.9537313828037	1340.9537313828037	1340.9537313828037	1340.9537313828037	1276.8698339893049	1276.8698339893049	822.6914225754001	822.6914225754001	1316.6647608244623	1036.5309677025284		5.6657183045627555	0	1030.8652493979657													-299.156
1390. PEP	PEP			1440	1390		1485																0																																																		0				PEP																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1390. PEP																																											0
1391. pep11: 3- -species	pep11: 3- -species	pep 3- -species	C3H2O6P -3	1441	1391	pep 3- -species	1486				3	2	0	6	1	0	0	-3		-2	10	10	165		-	-		-	-	-	-	-	-		-	-	-	-	-		-1263.65	-	-	-	-	-		-	-	-	-	-		-1621.38	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1263.65	-1263.65	A	-427.6048	-102.2	-836.0452	-836.0452	pep11: 3- -species	-1621.38	A	-277.8227532206889	-277.8799034659979	-277.8799034659979	-1189.4039926021642	-1189.4039926021642		-100	-1189.4039926021642	-1189.4039926021642	-7.287200336377658	-1208.14909580849	-276.00993100913513	1.8128222115537937	2.0197831522333507	2.5148858066417024							-277.8227532206889	-277.8227532206889		-277.8227532206889	492.83547607999793		-1249.252012409861	332.3115568173665	380.22113483861847	431.2530873962552	492.5214158407571	561.8543813190618	633.7065878885088	710.5989406769265	-1249.252012409861	-1166.1235600839902	-1172.7874894406448	-1172.7874894406448	-260.0666636818828	-277.8799034659979	182.02364970178473	182.02364970178473	492.5214158407571	492.5214158407571	492.5214158407571	-1263.65	-255.32061723926722	-277.8799034659979	178.13611205895842	-1189.4057174203447							1391. pep11: 3- -species	-1263.65	A	-1223.6537744355564	-1212.2377554304858	-1200.8217364254153	-1189.4057174203447	-0.766418851741147	-1177.9896984152742	-1166.5736794102038	-1155.1576604051331	-1189.405717420345	-1177.9896984152742	-1155.1576604051331	-1166.5736794102038	-1212.2376295565355	-1200.821610551465	-1189.4055915463946	-1177.989572541324	-1166.5735535362535	-1189.4039926021642	-1167.8321359432036	-1172.144557393937	-1191.0250673008843	-1167.8320002020093	-1172.1444236771565	-1191.0250673008843	-1191.0250673008843	-247.2238678365702	-264.347896344176	-263.3337689054381	-263.3739682086207	-263.93964826448246	-1191.0250673008843	-247.2238678365702	-264.347896344176	-263.3337689054381	-263.3739682086207	-263.93964826448246	-277.8380862133329	-277.8799034659979	-277.8380862133329	-277.8799034659979	-178.07524759584246	-99.74750562484647	-159.12497157189696	-218.50243751894746	-277.8799034659979	-337.2573694130484	-396.6348353600989	-456.0123013071494	-99.74750562484645	-159.12497157189696	-218.50243751894746	-277.8799034659979	-337.2573694130484	-396.6348353600989	-456.0123013071494	-233.21458776274727	-245.26882809086635	-257.3356443154993	-263.3739682086207	-269.41567585940624	-277.8799034659979	-281.5095621453488	-293.6179425960883	-305.7414566343857	-330.03644316470064	-354.3996371183813	-233.21458776274727	-245.26882809086635	-257.3356443154992	-263.3739682086207	-269.41567585940624	-277.8799034659979	-281.5095621453488	-293.6179425960883	-305.7414566343857	-330.03644316470064	-271.2159741093434	-277.0678963557417	-277.8799034659979	-278.4808293586574	-278.95721816019466	-271.2159741093434	-277.0678963557417	-277.8799034659979	-278.4808293586574	-278.95721816019466	-277.8799034659979	-277.8799034659979	-277.8799034659979	-277.8799034659979	-277.8799034659979	-277.8799034659979	-277.8799034659979	-277.8799034659979	-277.8799034659979	-277.8799034659979	-264.0333285107886	-1173.864670418061	-261.24141824885123	-279.05465803296636	-278.57827746023247	-277.9773619475426	-271.3135476988956	184.63214805206252	-264.0333285107886	-1200.821610551465	-1200.821610551465	-255.45448904259274	-1168.843809153481		-1.2393758791231027	-1.593483273158275	-1169.1979165475161											0.001		-1263.65
1392. pep12: 2- -species	pep12: 2- -species	pep 2- -species	C3H3O6P -2	1442	1392	pep 2- -species	1487		138-08-9		3	3	0	6	1	0	0	-2		-2	10	10	166		-	-		-	-	-	-	-	-		-	-	-	-	-		-1303.61	-	-	-	-	-		-	-	-	-	-		-1619.58	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1303.61	-1303.61	A	0				pep12: 2- -species	-1619.58	A	-274.19710879758134	-274.25425904289034	-274.25425904289034	-1184.5489441037362	-1184.5489441037362		-100	-1184.5489441037362	-1184.5489441037362	-3.238755705056737	-1204.104584659422		-1.8128222115537937	0.49510265440835177								-274.19710879758134	-274.19710879758134		-274.19710879758134	496.4611205031055		-1290.8927771256078	318.12396145635887	371.97128607231605	428.940985224658	496.14706026386466	571.4177723368746	649.2077255010264	732.0378248841494	-1290.8927771256078	-1166.2000986368018	-1169.1618450175372	-1169.1618450175372	-256.4410192587752	-274.25425904289034	185.64929412489232	185.64929412489232	496.14706026386466	496.14706026386466	496.14706026386466	-1303.61	-250.46643114992958	-274.25425904289034	181.761756482066	-1184.551531331007							1392. pep12: 2- -species	-1303.61	A	-1235.9236168538243	-1218.7995883462186	-1201.6755598386128	-1184.551531331007	-0.7685224310254506	-1167.4275028234013	-1150.3034743157955	-1133.1794458081897	-1184.551531331007	-1167.4275028234013	-1133.1794458081897	-1150.3034743157955	-1218.7995324022406	-1201.6755038946349	-1184.551475387029	-1167.4274468794233	-1150.3034183718175	-1184.5489441037362	-1162.6878787763246	-1167.0602814369345	-1186.9805561518162	-1162.6878184469049	-1167.0602220072542	-1186.9805561518162	-1186.9805561518162	-243.17935668750215	-260.3033851951079	-259.8526618890021	-259.8928611921847	-260.1442745503455	-1186.9805561518162	-243.17935668750215	-260.3033851951079	-259.8526618890021	-259.8928611921847	-260.1442745503455	-274.2124417902253	-274.25425904289034	-274.2124417902253	-274.25425904289034	-160.26200781172722	-113.93510098585412	-167.37482033819938	-220.81453969054465	-274.25425904289034	-327.6939783952356	-381.1336977475813	-434.5734170999266	-113.9351009858541	-167.37482033819938	-220.81453969054465	-274.25425904289034	-327.6939783952356	-381.1336977475813	-434.5734170999266	-230.0005347841025	-241.95323785834432	-253.9115302199253	-259.8928611921847	-265.8756960567395	-274.25425904289034	-277.84601955668063	-289.82278490764264	-301.80627629751916	-325.79457394559273	-349.8131860040504	-230.0005347841025	-241.95323785834432	-253.9115302199253	-259.8928611921847	-265.8756960567395	-274.25425904289034	-277.84601955668063	-289.82278490764264	-301.80627629751916	-325.79457394559273	-271.292512662155	-273.8933669938875	-274.25425904289034	-274.52133721740563	-274.73306557364447	-271.292512662155	-273.8933669938875	-274.25425904289034	-274.52133721740563	-274.73306557364447	-274.25425904289034	-274.25425904289034	-274.25425904289034	-274.25425904289034	-274.25425904289034	-274.25425904289034	-274.25425904289034	-274.25425904289034	-274.25425904289034	-274.25425904289034	-260.23802042320017	-1169.640592118611	-257.0173399494013	-274.8305797335164	-274.61885503452356	-274.35178147332806	-271.3900862517072	188.42745613965093	-260.23802042320017	-1201.6755038946349	-1201.6755038946349	-250.60037288322724	-1168.5984621193709		-0.1770536970175861	-0.7082147880703444	-1169.1296232104237											0.001		-1303.61
1393. pep13: -blend	pep13: -blend	pep-reactant		1443	1393	pep-reactant	1488				3	?	0	6	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				pep13: -reactant	-	A						-1189.73										-278.38810700199906					-278.38810700199906		-278.38810700199906		-278.38810700199906	492.2701222986878		-1290.8927772512463	318.1158704806512	371.88393189826877	428.1184333614842	492.00493243869715	561.8025860125479	633.7018217175381	710.5985058655516	-1290.8927772512463	-1167.880406818351	-1173.3039728427048	-1173.3039728427048	-260.5831470839427	-278.39638686805785	181.50716629972482	181.50716629972482	492.00493243869715	492.00493243869715	492.00493243869715	-1303.6100002475025	-255.64786128763905	-278.39638686805785	177.6196286568985	-1189.7329614687164	1.0000024891939485	-1193.7	0.001194643021664731	-1.6002853151189549	-1.6014799581406196	-1193.2	1393. pep13: -reactant	-	A	-1235.9411214208285	-1218.9693087010191	-1203.0035100662872	-1189.7329614687164	-0.7660079059604006	-1178.024436503255	-1166.577175206634	-1155.1580102066976	-1189.7329614687167	-1178.024436503255	-1155.1580102066976	-1166.577175206634	-1218.969248129604	-1203.0034251202012	-1189.7328442428811	-1178.0243116024258	-1166.5770494312299	-1189.73113001552	-1168.1252938258458	-1172.4444775628847	-1191.4679876489497	-1168.1251664957192	-1172.4443523115303	-1191.4679876489497	-1191.4679876489497	-247.66678818463566	-264.79081669224144	-263.87808740666605	-263.91828670984864	-264.4250845441395	-1191.4679876489497	-247.66678818463566	-264.79081669224144	-263.87808740666605	-263.91828670984864	-264.4250845441395	-278.3545696153928	-278.39638686805785	-278.3545696153928	-278.39638686805785	-164.44491504043728	-113.94319196156178	-167.4621745122467	-221.63709155371848	-278.39638686805785	-337.3091647195622	-396.6396015310696	-456.01273611852434	-113.94319196156178	-167.4621745122467	-221.63709155371848	-278.39638686805785	-337.3091647195622	-396.6396015310696	-456.01273611852434	-233.81387979656	-245.8466630479629	-257.89130260909883	-263.91828670984864	-269.9484982655032	-278.39638686805785	-282.018961953896	-294.1034172955806	-306.20259888018285	-330.4481278281492	-354.7616009160918	-233.81387979656	-245.8466630479629	-257.8913026090988	-263.91828670984864	-269.9484982655032	-278.39638686805785	-282.018961953896	-294.1034172955806	-306.20259888018285	-330.4481278281492	-272.97282084370426	-277.67572933381007	-278.39638686805785	-278.9378615564691	-279.37162194404186	-272.97282084370426	-277.67572933381007	-278.39638686805785	-278.9378615564691	-279.37162194404186	-278.39638686805785	-278.39638686805785	-278.39638686805785	-278.39638686805785	-278.39638686805785	-278.39638686805785	-278.39638686805785	-278.39638686805785	-278.39638686805785	-278.39638686805785	-264.5187764617348	-1174.279085638036	-261.6558334688261	-279.4690732529412	-279.0353213960171	-278.4938573769036	-273.07039443325647	-264.5187764617348	-264.5187764617348	-1203.0034251202012	-1203.0034251202012	-272.90577024668494																0.001		-
1394. pep14: PEP 0	pep14: PEP 0	PEP 0	C3H3O6P	1444	1394	PEP 0	1489				3	5	0	6	1	0	0	0		-2	10	10	168	-1325.7	-	-		-	-	-	-	-	-		-	-	-	-	-		-1303.61	-	-	-	-	-		-	-	-	-	-		-1619.58	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1325.7	-1325.7	E	0				pep14: PEP 0	-1619.58	<AX	-211.08599276748046																					-211.08599276748046	-211.08599276748046		-211.08599276748046	559.5722365332064		-1313.871859802113	345.6085979182295	411.33141572359676	480.17660806534866	559.2581762939656	646.4043815563854	736.0698279099475	830.7754204824805	-1313.871859802113	-1106.0507289874363	-1106.0507289874363	-1106.0507289874363	-193.3299032286743	-211.14314301278947	248.7604101549932	248.7604101549932	559.2581762939656	559.2581762939656	559.2581762939656	-1325.7	-187.78619252884005			-1121.8712927099175							1394. pep14: PEP 0	-1325.7	E	-1207.4914352479464	-1178.95138773527	-1150.4113402225937	-1121.8712927099175	-0.811844732868068	-1093.331245197241	-1064.7911976845648	-1036.2511501718886			-1036.2511501718886																														-211.08599276748046															-174.57343064305502	-184.45713668892893	-194.34084273480343	-199.28269575774016	-204.22454878067757	-211.14314301278947	-214.10825482655173	-223.99196087242598	-233.8756669182999	-253.64307901004923	-273.4104911017972
1395. PGA2	PGA2			1452	1395		1497																0																																																		0				PGA2																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1395. PGA2																																											0
1396. PGA2 11: phosphoglycerate2-species3-	PGA2 11: phosphoglycerate2-species3-	phosphoglycerate2-species3-	C3H4O7P -3	1453	1396	phosphoglycerate2-species3-	1498		820-11-1		3	4	0	7	1	0	0	-3		-2	10	10	183		-	-		-	-	-	-	-	-		-	-	-	-	-		-1496.38	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1496.38	-1496.38	A	0				PGA2 11: phosphoglycerate2-species3-	-1900	XX<-phosphate glycerol	-273.44764845722295	-273.51432374341687	-273.51432374341687	-1340.6007848679506	-1340.6007848679506		-100	-1340.6007848679506	-1340.6007848679506	-7.287200336377658	-1360.9669627729963	-273.5171799267023	-0.06953146947932964	0.9733968198888456	2.000727071608994							-273.44764845722295	-273.44764845722295		-273.44764845722295	497.2105808434639		-1480.135022639611	336.6771365399476	384.5867145611995	435.61866711883624	496.88699556333813	566.2199610416428	638.0721676110898	714.9645203995076	-1480.135022639611	-1313.8781179878695	-1320.542047344524	-1320.542047344524	-255.70108395930174	-273.51432374341687	186.3892294243658	186.3892294243658	496.88699556333813	496.88699556333813	496.88699556333813	-1496.38	-250.83828429305458	-273.51432374341687	182.50169178153948	-1340.6042345043118							1396. PGA2 11: phosphoglycerate2-species3-	-1496.38	A	-1409.1003485347348	-1386.2683105245937	-1363.4362725144529	-1340.6042345043118	-0.7960265666635535	-1317.7721964941707	-1294.9401584840298	-1272.1081204738887	-1340.6042345043118	-1317.7721964941707	-1272.1081204738887	-1294.9401584840298	-1386.2681846506437	-1363.4361466405026	-1340.6041086303615	-1317.7720706202203	-1294.9400326100795	-1340.6007848679506	-1312.5745760567413	-1318.1788685569115	-1343.8429342653906	-1312.574440315547	-1318.178734840131	-1343.8429342653906	-1343.8429342653906	-242.74153489035757	-259.86556339796334	-258.85143595922546	-258.89833514627185	-259.4640152021336	-1343.8429342653906	-242.74153489035757	-259.86556339796334	-258.85143595922546	-258.89833514627185	-259.4640152021336	-273.465536948641	-273.51432374341687	-273.465536948641	-273.51432374341687	-178.06572255495755	-95.38192590226541	-154.7593918493159	-214.1368577963664	-273.51432374341687	-332.89178969046736	-392.269255637518	-451.64672158456835	-95.3819259022654	-154.7593918493159	-214.1368577963664	-273.51432374341687	-332.89178969046736	-392.269255637518	-451.64672158456835	-228.5096769092151	-240.65562835380751	-252.81415569491364	-258.89833514627185	-264.98589835529395	-273.51432374341687	-277.1714957577101	-289.3715873249228	-301.58681247969355	-326.06522124295503	-350.6118374295819	-228.5096769092151	-240.65562835380751	-252.81415569491364	-258.89833514627185	-264.98589835529395	-273.51432374341687	-277.1714957577101	-289.3715873249228	-301.58681247969355	-326.06522124295503	-266.85039438676233	-272.70231663316065	-273.51432374341687	-274.1152496360763	-274.5916384376136	-266.85039438676233	-272.70231663316065	-273.51432374341687	-274.1152496360763	-274.5916384376136	-273.51432374341687	-273.51432374341687	-273.51432374341687	-273.51432374341687	-273.51432374341687	-273.51432374341687	-273.51432374341687	-273.51432374341687	-273.51432374341687	-273.51432374341687	-259.5733285107883	-1321.6192283219402	-256.8921007911954	-274.7053405753105	-274.2289600025766	-273.62804448988675	-266.96423024123976	189.09214805206278	-259.5733285107883	-1363.4361466405026	-1363.4361466405026	-250.99448904259248	-1317.725132853693		-0.8852684850879307	-1.593483273158275	-1318.4333476417632											0.001		-1496.38
1397. PGA2 12: phosphoglycerate2-species2-	PGA2 12: phosphoglycerate2-species2-	phosphoglycerate2-species2-	C3H5O7P -2	1454	1397	phosphoglycerate2-species2-	1499				3	5	0	7	1	0	0	-2		-2	10	10	184		-	-		-	-	-	-	-	-		-	-	-	-	-		-1539.99	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1539.99	-1539.99	A	0				PGA2 12: phosphoglycerate2-species2-	-1899	XX<-phosphate glycerol	-273.5867113961816	-273.6533866823755	-273.6533866823755	-1339.3957363695226	-1339.3957363695226		-100	-1339.3957363695226	-1339.3957363695226	-3.238755705056737	-1360.5724516239284		0.06953146947932964	1.0273302517201486								-273.5867113961816	-273.5867113961816		-273.5867113961816	497.07151790450524		-1525.540494717424	318.7248338168739	372.57215843283086	429.5418575851726	496.7479326243795	572.0186446973894	649.8085978615413	732.6386972446642	-1525.540494717424	-1317.7193639027473	-1320.6811102834827	-1320.6811102834827	-255.8401468982604	-273.6533866823755	186.25016648540714	186.25016648540714	496.7479326243795	496.7479326243795	496.7479326243795	-1539.99	-249.63409820371703	-273.6533866823755	182.36262884258082	-1339.4000484149742							1397. PGA2 12: phosphoglycerate2-species2-	-1539.99	A	-1425.020190953003	-1396.4801434403266	-1367.9400959276504	-1339.4000484149742	-0.7957393597828072	-1310.8600009022978	-1282.3199533896216	-1253.7799058769453	-1339.4000484149742	-1310.860000902298	-1253.7799058769453	-1282.3199533896216	-1396.480087496349	-1367.9400399836725	-1339.3999924709963	-1310.85994495832	-1282.3198974456436	-1339.3957363695226	-1311.2237030924448	-1316.8592999619752	-1343.4484231163226	-1311.223642763025	-1316.859240532295	-1343.4484231163226	-1343.4484231163226	-242.3470237412896	-259.4710522488954	-259.02032894278955	-259.06722812983594	-259.31864148799673	-1343.4484231163226	-242.3470237412896	-259.4710522488954	-259.02032894278955	-259.06722812983594	-259.31864148799673	-273.60459988759965	-273.6533866823755	-273.60459988759965	-273.6533866823755	-160.25248277084253	-113.33422862533908	-166.77394797768457	-220.21366733003006	-273.6533866823755	-327.0931060347208	-380.5328253870664	-433.9725447394118	-113.33422862533907	-166.77394797768457	-220.21366733003006	-273.6533866823755	-327.0931060347208	-380.5328253870664	-433.9725447394118	-228.7066502595996	-240.84665391870294	-252.9922468651458	-259.06722812983594	-265.14371328682176	-273.6533866823755	-277.3013373716242	-289.46540330744807	-301.6361952821861	-325.9990940999831	-350.3923073281643	-228.7066502595996	-240.84665391870294	-252.9922468651458	-259.06722812983594	-265.14371328682176	-273.6533866823755	-277.3013373716242	-289.46540330744807	-301.6361952821861	-325.9990940999831	-270.6916403016402	-273.2924946333727	-273.6533866823755	-273.9204648568908	-274.13219321312965	-270.6916403016402	-273.2924946333727	-273.6533866823755	-273.9204648568908	-274.13219321312965	-273.6533866823755	-273.6533866823755	-273.6533866823755	-273.6533866823755	-273.6533866823755	-273.6533866823755	-273.6533866823755	-273.6533866823755	-273.6533866823755	-273.6533866823755	-259.4280204232	-1321.1598573845565	-256.4327298538117	-274.2459696379268	-274.03424493893397	-273.76717137773846	-270.8054761561176	189.2374561396511	-259.4280204232	-1367.9400399836725	-1367.9400399836725	-249.7903728832273	-1321.244493181649		0.1770536970175861	-0.7082147880703444	-1322.1297616667368											0.001		-1539.99
1398. PGA2 13: phosphoglycerate2-blend	PGA2 13: phosphoglycerate2-blend	phosphoglycerate2-reactant		1455	1398	phosphoglycerate2-reactant	1500				3	?	0	7	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				PGA2 13: phosphoglycerate2-reactant	-	XX<-phosphate glycerol						-1341.79										-275.3055570488975					-275.3055570488975		-275.3055570488975		-275.3055570488975	495.35267225178933		-1525.5404947449395	318.7230596020217	372.552762542618	429.33693766651794	495.0982070129677	565.9917986145997	638.0504788801386	714.9625356152403	-1525.5404947449395	-1318.1967039851463	-1322.3308358948943	-1322.3308358948943	-257.4898725096722	-275.3031122937873	184.60044087399535	184.60044087399535	495.0982070129677	495.0982070129677	495.0982070129677	-1539.9900000567711	-252.02688419864936	-275.3031122937873	180.71290323116904	-1341.7928344099066	1.000002112409473	-1351.1	0.0011433880752297772	-3.7544683021738834	-3.7556116902491135	-1350.6	1398. PGA2 13: phosphoglycerate2-reactant	-	A	-1425.0242170159308	-1396.5201128196168	-1368.3134480779277	-1341.7928344099066	-0.7948226060023853	-1317.9202012151652	-1294.9553629855297	-1272.1096451274148	-1341.7928344099066	-1317.9202012151652	-1272.1096451274148	-1294.9553629855297	-1396.520055757182	-1368.3133823567632	-1341.7927351719668	-1317.920079394205	-1294.9552375391831	-1341.7890563240605	-1313.7083225663182	-1319.324150996012	-1345.3718005092503	-1313.708214504535	-1319.3240447641392	-1345.3718005092503	-1345.3718005092503	-244.27040113421728	-261.3944296418231	-260.6556025975516	-260.702501784598	-261.1106759137771	-1345.3718005092503	-244.27040113421728	-261.3944296418231	-260.6556025975516	-260.702501784598	-261.1106759137771	-275.25432549901143	-275.3031122937873	-275.25432549901143	-275.3031122937873	-161.9695542087062	-113.33600284019133	-166.79334386789748	-220.41858724868473	-275.3031122937873	-333.1199521175105	-392.2909443684691	-451.64870636883563	-113.33600284019131	-166.79334386789748	-220.41858724868473	-275.3031122937873	-333.1199521175105	-392.2909443684691	-451.64870636883563	-230.32840153812126	-242.47126278314403	-254.62308229674926	-260.702501784598	-266.78434353318335	-275.3031122937873	-278.9555486409769	-291.1372211730416	-303.3299089228095	-327.7506602366375	-352.2227837891162	-230.32840153812126	-242.47126278314403	-254.62308229674926	-260.702501784598	-266.78434353318335	-275.3031122937873	-278.9555486409769	-291.1372211730416	-303.3299089228095	-327.7506602366375	-271.1689803840393	-274.7332097240638	-275.3031122937873	-275.73805198924674	-276.09082679053256	-271.1689803840393	-274.7332097240638	-275.3031122937873	-275.73805198924674	-276.09082679053256	-275.3031122937873	-275.3031122937873	-275.3031122937873	-275.3031122937873	-275.3031122937873	-275.3031122937873	-275.3031122937873	-275.3031122937873	-275.3031122937873	-275.3031122937873	-261.2200210740627	-1323.1184503864467	-258.39132285570184	-276.20456263981697	-275.8517958449875	-275.41686591151563	-271.2828162385167	187.4454554887884	-261.2200210740627	-1368.3133823567632	-1368.3133823567632	-269.30714409180365																0.001		-
1399. PGA2 14: phosphoglyceric acid2 species	PGA2 14: phosphoglyceric acid2 species	2phosphoglyceric acid species	C3H7O7P	1456	1399	2phosphoglyceric acid species	1501				3	7	0	7	1	0	0	0		-2	10	10	186	-1570.9	-	-		-	-	-	-	-	-		-	-	-	-	-		-1539.99	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1570.9	-1570.9	E	0				PGA2 14: phosphoglyceric acid2 species	-1899	XX<-phosphate glycerol	-219.6505844655275																					-219.6505844655275	-219.6505844655275		-219.6505844655275	551.0076448351593		-1557.694566493376	337.0344811792978	402.75729898466477	471.6024913264165	550.6840595550336	637.8302648174536	727.4957111710157	822.2013037435486	-1557.694566493376	-1266.7449833528285	-1266.7449833528285	-1266.7449833528285	-201.90401996760625	-219.7172597517214	240.18629341606126	240.18629341606126	550.6840595550336	550.6840595550336	550.6840595550336	-1570.9	-195.7738595826272			-1285.5398097938844							1399. PGA2 14: phosphoglyceric acid2 species	-1570.9	E	-1405.4080093471248	-1365.4519428293781	-1325.4958763116313	-1285.5398097938844	-0.8291374698845421	-1245.5837432761377	-1205.6276767583909	-1165.671610240644			-1165.671610240644																														-219.6505844655275															-181.35998549470486	-191.72681637497953	-202.09364725525447	-207.27706269539158	-212.46047813552892	-219.7172597517214	-222.82730901580362	-233.1941398960783	-243.560970776353	-264.29463253690307	-285.02829429745236
1400. PGA3	PGA3			1457	1400		1502																0																																																		0				PGA3																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1400. PGA3																																											0
1401. PGA3 11: phosphoglycerate3-species3-	PGA3 11: phosphoglycerate3-species3-	phosphoglycerate3-species3-	C3H4O7P -3	1458	1401	phosphoglycerate3-species3-	1503				3	4	0	7	1	0	0	-3		-2	10	10	183		-	-		-	-	-	-	-	-		-	-	-	-	-		-1502.54	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1502.54	-1502.54	A	0				PGA3 11: phosphoglycerate3-species3-	-1900	XX<-phosphate glycerol	-279.8555773520744	-279.92225263826833	-279.92225263826833	-1346.7607848679504	-1346.7607848679504		-100	-1346.7607848679504	-1346.7607848679504	-7.287200336377658	-1367.1269627729962	-279.59743063943074	0.25814671264367917	1.105288204887622	2.0100296067934473							-279.8555773520744	-279.8555773520744		-279.8555773520744	490.80265194861244		-1486.5429515344624	330.2692076450961	378.17878566634806	429.2107382239848	490.47906666848667	559.8120321467914	631.6642387162383	708.5565915046561	-1486.5429515344624	-1320.286046882721	-1326.9499762393755	-1326.9499762393755	-262.1090128541532	-279.92225263826833	179.98130052951433	179.98130052951433	490.47906666848667	490.47906666848667	490.47906666848667	-1502.54	-256.99828429305444	-279.92225263826833	176.093762886688	-1346.7642345043116							1401. PGA3 11: phosphoglycerate3-species3-	-1502.54	A	-1415.2603485347347	-1392.4283105245936	-1369.5962725144527	-1346.7642345043116	-0.7922015077456539	-1323.9321964941705	-1301.1001584840296	-1278.2681204738885	-1346.7642345043116	-1323.9321964941705	-1278.2681204738885	-1301.1001584840296	-1392.4281846506435	-1369.5961466405024	-1346.7641086303613	-1323.9320706202202	-1301.1000326100793	-1346.7607848679504	-1319.0444871753054	-1324.586797451763	-1350.0029342653904	-1319.0443514341111	-1324.5866637349825	-1350.0029342653904	-1350.0029342653904	-248.90153489035742	-266.0255633979632	-265.0114359592253	-265.0583351462717	-265.6240152021335	-1350.0029342653904	-248.90153489035742	-266.0255633979632	-265.0114359592253	-265.0583351462717	-265.6240152021335	-279.87346584349245	-279.92225263826833	-279.87346584349245	-279.92225263826833	-178.06572255495755	-101.78985479711687	-161.16732074416737	-220.54478669121787	-279.92225263826833	-339.29971858531883	-398.67718453236944	-458.0546504794198	-101.78985479711686	-161.16732074416737	-220.54478669121787	-279.92225263826833	-339.29971858531883	-398.67718453236944	-458.0546504794198	-234.1531583782741	-246.50571723524308	-258.87085198872535	-265.0583351462717	-271.249202061482	-279.92225263826833	-283.64140687627423	-296.0481058558635	-308.4699384230104	-333.3615620110248	-358.3213930224043	-234.1531583782741	-246.50571723524308	-258.8708519887253	-265.0583351462717	-271.249202061482	-279.92225263826833	-283.64140687627423	-296.0481058558635	-308.4699384230104	-333.3615620110248	-273.2583232816138	-279.1102455280121	-279.92225263826833	-280.5231785309278	-280.99956733246506	-273.2583232816138	-279.1102455280121	-279.92225263826833	-280.5231785309278	-280.99956733246506	-279.92225263826833	-279.92225263826833	-279.92225263826833	-279.92225263826833	-279.92225263826833	-279.92225263826833	-279.92225263826833	-279.92225263826833	-279.92225263826833	-279.92225263826833	-265.73332851078817	-1328.0271572167917	-263.30002968604686	-281.113269470162	-280.6368888974281	-280.0359733847382	-273.3721591360912	182.93214805206293	-265.73332851078817	-1369.5961466405024	-1369.5961466405024	-257.15448904259233	-1324.1330617485444		-0.8852684850879307	-1.593483273158275	-1324.8412765366147											0.001		-1502.54
1402. PGA3 12: phosphoglycerate3-species2-	PGA3 12: phosphoglycerate3-species2-	phosphoglycerate3-species2-	C3H5O7P -2	1459	1402	phosphoglycerate3-species2-	1504				3	5	0	7	1	0	0	-2		-2	10	10	184		-	-		-	-	-	-	-	-		-	-	-	-	-		-1545.52	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1545.52	-1545.52	A	0				PGA3 12: phosphoglycerate3-species2-	-1899	XX<-phosphate glycerol	-279.33928392678706	-279.405959212981	-279.405959212981	-1344.9257363695226	-1344.9257363695226		-100	-1344.9257363695226	-1344.9257363695226	-3.238755705056737	-1366.1024516239286		-0.25814671264367917	0.9047414019058252								-279.33928392678706	-279.33928392678706		-279.33928392678706	491.3189453738998		-1531.2930672480295	312.97226128626846	366.8195859022254	423.78928505456713	490.995360093774	566.2660721667839	644.0560253309359	726.8861247140587	-1531.2930672480295	-1323.4719364333528	-1326.4336828140881	-1326.4336828140881	-261.59271942886585	-279.405959212981	180.4975939548017	180.4975939548017	490.995360093774	490.995360093774	490.995360093774	-1545.52	-255.164098203717	-279.405959212981	176.61005631197537	-1344.9300484149742							1402. PGA3 12: phosphoglycerate3-species2-	-1545.52	A	-1430.550190953003	-1402.0101434403266	-1373.4700959276504	-1344.9300484149742	-0.7923019979693415	-1316.3900009022977	-1287.8499533896215	-1259.309905876945	-1344.9300484149742	-1316.390000902298	-1259.309905876945	-1287.8499533896215	-1402.010087496349	-1373.4700399836725	-1344.9299924709962	-1316.38994495832	-1287.8498974456436	-1344.9257363695226	-1317.0319187557016	-1322.6118724925807	-1348.9784231163228	-1317.0318584262818	-1322.6118130629004	-1348.9784231163228	-1348.9784231163228	-247.8770237412898	-265.0010522488956	-264.55032894278975	-264.59722812983614	-264.84864148799693	-1348.9784231163228	-247.8770237412898	-265.0010522488956	-264.55032894278975	-264.59722812983614	-264.84864148799693	-279.3571724182051	-279.405959212981	-279.3571724182051	-279.405959212981	-160.25248277084253	-119.08680115594453	-172.52652050829002	-225.9662398606355	-279.405959212981	-332.84567856532624	-386.28539791767184	-439.7251172700172	-119.08680115594451	-172.52652050829002	-225.9662398606355	-279.405959212981	-332.84567856532624	-386.28539791767184	-439.7251172700172	-233.77295748750515	-246.09843825544613	-258.4295083107269	-264.59722812983614	-270.76645184124067	-279.405959212981	-283.10955303488095	-295.45909607954246	-307.8153651631186	-332.5492181985913	-357.313385644448	-233.77295748750515	-246.09843825544613	-258.4295083107268	-264.59722812983614	-270.76645184124067	-279.405959212981	-283.10955303488095	-295.45909607954246	-307.8153651631186	-332.5492181985913	-276.4442128322456	-279.04506716397816	-279.405959212981	-279.67303738749627	-279.8847657437351	-276.4442128322456	-279.04506716397816	-279.405959212981	-279.67303738749627	-279.8847657437351	-279.405959212981	-279.405959212981	-279.405959212981	-279.405959212981	-279.405959212981	-279.405959212981	-279.405959212981	-279.405959212981	-279.405959212981	-279.405959212981	-264.9580204232002	-1326.912429915162	-262.1853023844171	-279.99854216853225	-279.7868174695394	-279.5197439083439	-276.55804868672305	183.7074561396509	-264.9580204232002	-1373.4700399836725	-1373.4700399836725	-255.32037288322726	-1326.9970657122544		0.1770536970175861	-0.7082147880703444	-1327.8823341973423											0.001		-1545.52
1403. PGA3 13: phosphoglycerate3-blend	PGA3 13: phosphoglycerate3-blend	phosphoglycerate3-reactant		1460	1403	phosphoglycerate3-reactant	1505				3	?	0	7	1	0	0	?							-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-	-	A	0				PGA3 13: phosphoglycerate3-reactant	-	XX<-phosphate glycerol						-1347.73										-281.3977699806791					-281.3977699806791		-281.3977699806791		-281.3977699806791	489.2604593200078		-1531.293067283871	312.969950431436	366.79435046144283	423.5255519316926	489.00551444698675	559.6350321224522	631.6475715750973	708.5550676616624	-1531.293067283871	-1324.0773035674843	-1328.4235284608753	-1328.4235284608753	-263.5825650756531	-281.39580485976825	178.5077483080144	178.5077483080144	489.00551444698675	489.00551444698675	489.00551444698675	-1545.520000073198	-257.965379161158	-281.39580485976825	174.6202106651881	-1347.731329372415	1.0000009863788852	-1351.1	5.362627908360216E-4	-1.3589064220791076	-1.3594426848699437	-1350.6	1403. PGA3 13: phosphoglycerate3-reactant	-	A	-1430.5553807433485	-1402.0615588053763	-1373.9417608163606	-1347.731329372415	-0.7912063303360953	-1324.0477471416561	-1301.1119589569246	-1278.2693030521868	-1347.731329372415	-1324.0477471416561	-1278.2693030521868	-1301.1119589569246	-1402.0615014259579	-1373.9416927563152	-1347.731226087845	-1324.0476244525642	-1301.1118334150724	-1347.7276011887286	-1319.9553514066217	-1325.5092978037458	-1351.2615149813357	-1319.955238854346	-1325.5091871709585	-1351.2615149813357	-1351.2615149813357	-250.16011560630267	-267.28414411390844	-266.50987033291887	-266.55676951996526	-266.98480303453545	-1351.2615149813357	-250.16011560630267	-267.28414411390844	-266.50987033291887	-266.55676951996526	-266.98480303453545	-281.34701806499237	-281.39580485976825	-281.34701806499237	-281.39580485976825	-162.3086579699021	-119.08911201077697	-172.55175594907266	-226.22997298351007	-281.39580485976825	-339.47671860965795	-398.6938516735103	-458.0561743224136	-119.08911201077696	-172.55175594907266	-226.22997298351007	-281.39580485976825	-339.47671860965795	-398.6938516735103	-458.0561743224136	-235.6886218644802	-248.0287146423612	-260.37827116585174	-266.55676951996526	-272.7378418069367	-281.39580485976825	-285.10799824236244	-297.48933592165736	-309.88247655537094	-334.70679955990266	-359.58655747474626	-235.6886218644802	-248.0287146423612	-260.3782711658517	-266.55676951996526	-272.7378418069367	-281.39580485976825	-285.10799824236244	-297.48933592165736	-309.88247655537094	-334.70679955990266	-277.04957996637717	-280.79615262966007	-281.39580485976825	-281.8526565854993	-282.222594173022	-277.04957996637717	-280.79615262966007	-281.39580485976825	-281.8526565854993	-282.222594173022	-281.39580485976825	-281.39580485976825	-281.39580485976825	-281.39580485976825	-281.39580485976825	-281.39580485976825	-281.39580485976825	-281.39580485976825	-281.39580485976825	-281.39580485976825	-267.0941440664039	-1329.2502129872903	-264.52308545654546	-282.3363252406606	-281.9663958907932	-281.5095542632067	-277.1634158208546	181.5713324964472	-267.0941440664039	-1373.9416927563152	-1373.9416927563152	-275.2456350076817																0.001		-
1404. PGA3 14: 3phosphoglycerate -species	PGA3 14: 3phosphoglycerate -species	3phosphoglycerate -species	C3H7O7P	1461	1404	3phosphoglycerate -species	1506				3	7	0	7	1	0	0	0		-2	10	10	186	-1570.9	-	-		-	-	-	-	-	-		-	-	-	-	-		-1545.52	-	-	-	-	-		-	-	-	-	-		_	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-1570.9	-1570.9	E	0				PGA3 14: 3phosphoglycerate -species	-1899	XX<-phosphate glycerol	-219.6505844655275																					-219.6505844655275	-219.6505844655275		-219.6505844655275	551.0076448351593		-1557.694566493376	337.0344811792978	402.75729898466477	471.6024913264165	550.6840595550336	637.8302648174536	727.4957111710157	822.2013037435486	-1557.694566493376	-1266.7449833528285	-1266.7449833528285	-1266.7449833528285	-201.90401996760625	-219.7172597517214	240.18629341606126	240.18629341606126	550.6840595550336	550.6840595550336	550.6840595550336	-1570.9	-195.7738595826272			-1285.5398097938844							1404. PGA3 14: 3phosphoglycerate -species	-1570.9	E	-1405.4080093471248	-1365.4519428293781	-1325.4958763116313	-1285.5398097938844	-0.8291374698845421	-1245.5837432761377	-1205.6276767583909	-1165.671610240644			-1165.671610240644																														-219.6505844655275															-181.35998549470486	-191.72681637497953	-202.09364725525447	-207.27706269539158	-212.46047813552892	-219.7172597517214	-222.82730901580362	-233.1941398960783	-243.560970776353	-264.29463253690307	-285.02829429745236
1405. PHENOL	PHENOL			1445	1405		1490																0																																																		0				PHENOL																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1405. PHENOL																																											0
1406. phenol (aq)	phenol (aq)	phenol (aq)	C6H6O	1446	1406	phenol (aq)	1492				6	6	0	1	0	0	0	0		4	28	28	94.06		-	-		-52.1	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-52.1	-52.1	T	-48.5344	-11.6	-3.5656000000000034		phenol (aq)	-165.05880000000002	X	336.1481679205436	336.13864287965873	336.13864287965873	192.49962320264092	192.49962320264092		-100	192.49962320264092	192.49962320264092	0	170.5123705988751											336.1481679205436	336.1481679205436		336.1481679205436	957.208182272989		-47.55361194029851	427.57361007632636	594.5884299723388	767.316687552143	957.1341751576034	1157.3720915097897	1360.7122010649318	1573.8985928460024	-47.55361194029851	201.83174503731354	201.83174503731354	201.83174503731354	353.95188266377386	336.13864287965873	336.13864287965873	336.13864287965873	957.1341751576034	957.1341751576034	957.1341751576034	-52.1	348.1752987782787	336.13864287965873	336.13864287965873	192.49444874809916							1406. phenol (aq)	-52.1	T	89.7502777024645	123.99833471767604	158.24639173288762	192.49444874809916	0.7462746074326103	226.74250576331073	260.99056277852225	295.2386197937338	192.49444874809907	226.74250576331062	295.2386197937338	260.99056277852213	123.99833471767596	158.2463917328875	192.49444874809907	226.74250576331062	260.99056277852213	192.49962320264092	210.61945309557726	206.9924852600273	187.63639910648087	210.61945309557726	206.9924852600273	187.63639910648087	187.63639910648087	344.9365990171999	327.81257050959414	327.81257050959414	327.80587062573034	327.80587062573034	187.63639910648087	344.9365990171999	327.81257050959414	327.81257050959414	327.80587062573034	327.80587062573034	336.14561242176956	336.13864287965873	336.14561242176956	336.13864287965873	71.26248417734541	264.8856837431982	288.63667012201836	312.3876565008386	336.13864287965873	359.889629258479	383.6406156372992	407.39160201611935	264.8856837431982	288.63667012201836	312.3876565008386	336.13864287965873	359.889629258479	383.6406156372992	407.39160201611935	324.2861766272622	325.6940542266495	327.10193182603666	327.80587062573034	328.5098094254239	329.49532374499495	329.91768702481113	331.3255646241984	332.7334422235857	335.54919742236	338.36495262113453	310.445928430046	317.3899053083197	324.3338821865935	327.80587062573034	331.27785906486713	336.13864287965873	338.22183594314083	345.16581282141465	352.10978969968835	365.9977434562356	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	336.13864287965873	327.7902375633815	201.83174503731354	353.9356203988485	336.1223806147334	336.1223806147334	336.1223806147334	336.1223806147334	327.7902375633815	327.7902375633815	158.2463917328875	158.2463917328875	348.15296583206606	198.45144764831596		1.0623221821055167	0	197.38912546621046													-52.1
1407. phenol species (cr)	phenol species (cr)	phenol species (cr)	C6H6O	1447	1407	phenol species (cr)	1491		108-95-2		6	6	0	1	0	0	0	0		4	28	28	94.06		-	-		-47.6	-	-	-	-	-		-	-	-	-	-		-	-	-	-165.1	-	-		-	-	-	-	-		-	-39.45	-165.05880000000002	-	-	-	-	-	-	-	-	-	-	-	1	0	-47.6	-47.6	T	0				phenol species (cr)	-165.05880000000002	P	358.6425245921315	358.6329995512466	358.6329995512466	196.99962320264092	196.99962320264092		-100	196.99962320264092	196.99962320264092	0	192.13639910648087											358.6425245921315	358.6425245921315		358.6425245921315	979.702538944577		-42.872495052825755	450.0679667479142	617.0827866439267	789.8110442237308	979.6285318291913	1179.8664481813776	1383.2065577365197	1596.3929495175903	-42.872495052825755	206.5128619247863	206.5128619247863	206.5128619247863	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	979.6285318291913	979.6285318291913	979.6285318291913	-47.6	352.6752987782787	358.6329995512466	358.6329995512466	196.99444874809916							1407. phenol species (cr)	-47.6	T	94.2502777024645	128.49833471767604	162.74639173288762	196.99444874809916	0.8205717311899233	231.24250576331073	265.49056277852225	299.7386197937338	196.99444874809907	231.24250576331062	299.7386197937338	265.49056277852213	128.49833471767596	162.7463917328875	196.99444874809907	231.24250576331062	265.49056277852213	196.99962320264092	215.34584920491818	211.67360214750005	192.13639910648087	215.34584920491818	211.67360214750005	192.13639910648087	192.13639910648087	349.4365990171999	349.4365990171999	349.4365990171999	349.4298991333361	349.4298991333361	192.13639910648087	349.4365990171999	349.4365990171999	349.4365990171999	349.4298991333361	349.4298991333361	358.6399690933575	358.6329995512466	358.6399690933575	358.6329995512466	71.26248417734547	287.38004041478604	311.1310267936063	334.88201317242647	358.6329995512466	382.38398593006684	406.1349723088871	429.8859586877073	287.38004041478604	311.1310267936063	334.88201317242647	358.6329995512466	382.38398593006684	406.1349723088871	429.8859586877073	330.2567732626891	337.9260236109479	345.5952739592067	349.4298991333361	353.2645243074655	358.6329995512466	360.9337746557243	368.60302500398313	376.27227535224193	391.6107760487594	406.94927674527713	330.2567732626891	337.9260236109479	345.5952739592067	349.4298991333361	353.2645243074655	358.6329995512466	360.9337746557243	368.60302500398313	376.27227535224193	391.6107760487594	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	358.6329995512466	349.41426607098725	206.5128619247863	358.61673728632127	358.61673728632127	358.61673728632127	358.61673728632127	358.61673728632127	349.41426607098725	349.41426607098725	162.7463917328875	162.7463917328875	352.65296583206606	203.13256453578873		1.0623221821055167	0	202.07024235368323													-47.6
1408. phenolic acid ?	phenolic acid ?	phenolic acid ?	C6H6O	1448	1408	phenolic acid ?	1493				6	6	0	1	0	0	0	0		4	28	28	94.06	-84.6	-	-		-52.1	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-		-	-	-	-	-		-	-	-	-	-	-	-	-	-	-	-	-	-	-	0.001	-17.813239784115144	-84.6	-84.6	E	0				phenolic acid ?	-165.05880000000002	X	302.3401015110182																					302.3401015110182	302.3401015110182		302.3401015110182	923.4001158634637		-81.3616783498239	393.7655436668009	560.7803635628134	733.5086211426176	923.326108748078	1123.5640251002642	1326.9041346554063	1540.090526436477	-81.3616783498239	168.02367862778814	168.02367862778814	168.02367862778814	320.14381625424846	302.33057647013334	302.33057647013334	302.33057647013334	923.326108748078	923.326108748078	923.326108748078	-84.6	315.6752987782787			159.99444874809916		159.9		-0.03810019575623832		159.2	1408. phenolic acid ?	-84.6	E	57.2502777024645	91.49833471767604	125.74639173288762	159.99444874809916	0.8896911978929531	194.24250576331073	228.49056277852227	262.73861979373385			262.73861979373385																														302.3401015110182															280.671066783224	286.5249883202265	292.378909857229	295.30587062573034	298.23283139423154	302.33057647013334	304.08675293123406	309.9406744682367	315.7945960052392	327.50243907924414	339.2102821532493
1409. PHENYLALANINE	PHENYLALANINE			1449	1409		1494																0																																																		0				PHENYLALANINE																											0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0												1409. PHENYLALANINE																																											0

&S2. The data sources for the standard chemical potentials and enthalpies of the Thermotable
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Wagman, D. D., W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, and R. L. Nutall. 1982. 'The NBS Tables of Chemical Thermodynamic Properties', J. Phys. Chem. Ref. Data, 11.	Z