_raw_Reaction number	_raw_H3BO3/g	_raw_VOSO4xH2O/g	_raw_Amine/g	_raw_name	_raw_SMILES	_raw_SMILES.nosalt	_raw_Amine_Mol	_raw_VOSO4xH2O_Mol	_raw_H3BO3_Mol	_rxn_H2O/g	_rxn_pH	_out_Outcome	_out_Purity	_rxn_Synthesis_Method	_rxn_Oven Temperature/C	_rxn_Aging Time/hrs	_rxn_Vessel Size/mL	_raw_Types of Experiment (Human; Triangle; etc...)	_raw_Notes	_feat_Mass	_feat_Mass_Nosalt	_feat_AtomCount_C	_feat_AtomCount_N	_feat_AvgPol	_feat_MolPol	_feat_Refractivity	_feat_isoelectric	_feat_apKa1	_feat_apKa2	_feat_bpKa1	_feat_bpKa2	_feat_bpKa3	_feat_bpKa4	_feat_AliphaticRingCount	_feat_AromaticRingCount	_feat_Aliphatic AtomCount	_feat_AromaticAtomCount	_feat_BondCount	_feat_CarboaliphaticRingCount	_feat_CarboaromaticRingCount	_feat_CarboRingCount	_feat_ChainAtomCount	_feat_ChiralCenterCount	_feat_RingAtomCount	_feat_SmallestRingSize	_feat_LargestRingSize	_feat_fsp3	_feat_HeteroaliphaticRingCount	_feat_HeteroaromaticRing Count	_feat_RotatableBondCount	_feat_BalabanIndex	_feat_CyclomaticNumber	_feat_HyperWienerIndex	_feat_WienerIndex	_feat_WienerPolarity	_feat_MinimalProjectionArea	_feat_MaximalProjectionArea	_feat_MinimalProjectionRadius	_feat_MaximalProjectionRadius	_feat_LengthPerpendicularToTheMinArea	_feat_LengthPerpendicularToTheMaxArea	_feat_VanderWaalsVolume	_feat_VanderWaalsSurfaceArea	_feat_ASA	_feat_ASA+	_feat_ASA-	_feat_ASA_H	_feat_ASA_P	_feat_PolarSurfaceArea	_feat_acceptorcount	_feat_Accsitecount	_feat_donorcount	_feat_donsitecount	_feat_sol	_feat_fr_NH2	_feat_fr_NH1	_feat_fr_NH0	_feat_fr_quatN	_feat_fr_ArN	_feat_fr_Ar_NH	fr_Imine	fr_amidine	_feat_fr_dihydropyridine	_feat_fr_guanido	_feat_fr_piperdine	_feat_fr_piperzine	_feat_fr_pyridine	_calc_Amine_H3BO3_MolRatio	_calc_VOSO4xH2O_H3BO3_MolRatio	_calc_VOSO4xH2O_H3BO3_MassRatio	_calc_AmineConc	_calc_avgNitrogenVDWVol	_calc_avgNitrogenVDWSurface	_calc_CarbonNitrogenRatio	_calc_avgNitrogenWaterAssessSurface	_calc_pbKaUnderPhCount
XJ 53.01	0.3099	0.0827	0.3713	"1,3-dap"	NCCCN	NCCCN	0.005008971	0.000456878	0.00501213	5.9702	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.99936974	0.091154521	0.266860278	0.838996	42.99	76.16	1.5	122.595	0
XJ 53.10	0.3083	0.0853	0.6171	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.005310306	0.000471242	0.004986253	6.0105	8	4	2	Hydrothermal	90	24	23	Human	NULL; autoclave dropped	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	1.064989293	0.094508264	0.27667856	0.883505	69.83	132.425	3	185.57	1
XJ 53.11	0.3069	0.0838	0.5193	diethylenetriamine	NCCNCCN	NCCNCCN	0.005033489	0.000462955	0.00496361	6.01	8	3	2	Hydrothermal	90	24	23	Human		103.169	103.169	4	3	12.42	12.69	30.59				9.93	8.84	5.37		0	0	7	0	19	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	22.86	41.84	3.09	5.35	10.46	5.13	115.4	203.81	294.37	261.77	32.6	261.77	32.6	64.07	3	3	3	5	3.02	2	1	0	0	0	0	0	0	0	0	0	0	0	1.01407823	0.093269878	0.273053112	0.837519	38.46666667	67.93666667	1.333333333	98.12333333	1
XJ 53.12	0.311	0.08	0.5775	"2,6-dimethylpiperazine"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.005057272	0.000441962	0.005029921	6.073	8	3	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.005437702	0.087866611	0.257234727	0.832747	63.44	112.4	3	145.985	1
XJ 53.13	0.3086	0.085	0.7147	"N,N'-diisopropyl-ethylenediamine"	CC(C)NCCNC(C)C	CC(C)NCCNC(C)C	0.004954181	0.000469585	0.004991105	6.0204	8	2	2	Hydrothermal	90	24	23	Human		144.262	144.262	8	2	19	18.55	45.75				10.01	7.07			0	0	10	0	29	0	0	0	10	0	0	0	0	1	0	0	5	2.91	0	412	151	7	28.29	56.66	3.29	6.46	12.84	6.19	172.09	316.09	421.31	327.38	93.93	408.85	12.47	24.06	2	2	2	2	1.81	0	2	0	0	0	0	0	0	0	0	0	0	0	0.992602028	0.094084327	0.275437459	0.822899	86.045	158.045	4	210.655	1
XJ 53.14	0.3109	0.0837	0.9409	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.005049291	0.000462403	0.005028303	6.0312	8	3	1	Hydrothermal	90	24	23	Human		186.343	186.343	11	2	25.24	24.09	60.55				10.55	7.97			0	0	13	0	38	0	0	0	13	0	0	0	0	1	0	0	9	3.47	0	885	300	12	48.11	79.02	6.07	6.5	12.82	5.93	223.37	406.84	495.83	372.39	123.44	480.85	14.98	29.26	2	2	1	2	1.27E-01	1	0	1	0	0	0	0	0	0	0	0	0	0	1.004173855	0.091960011	0.269218398	0.837195	111.685	203.42	5.5	247.915	1
XJ 53.15	0.3089	0.0822	0.3696	"1,2-dap"	CC(N)CN	CC(N)CN	0.004986037	0.000454116	0.004995957	6.0021	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.998014559	0.090896715	0.266105536	0.830715	43.025	75.165	1.5	115.245	1
XJ 53.16	0.3079	0.0898	0.5681	cycloheptylamine	C1CCCC(CC1)N	NC1CCCCCC1	0.005018374	0.000496102	0.004979783	6.0011	8	2	1	Hydrothermal	90	24	23	Human		113.204	113.204	7	1	14.26	14.45	35.53				10.45				1	0	8	0	23	1	0	1	1	0	7	7	7	1	0	0	0	2.17	1	109	61	9	29.99	43.94	3.82	4.37	8.31	5.39	130.95	228.07	255.01	203.32	51.69	247.57	7.44	26.02	1	1	1	2	4.90E-01	1	0	0	0	0	0	0	0	0	0	0	0	0	1.00774946	0.099623301	0.291653134	0.836242	130.95	228.07	7	255.01	0
XJ 53.17	0.3119	0.0802	0.5776	1-Amino-4-methylpiperazine	CN1CCN(CC1)N	CN1CCN(N)CC1	0.00501476	0.000443067	0.005044477	6.0512	8	2	2	Hydrothermal	90	24	23	Human		115.18	115.18	5	3	13.4	13.59	35.23				7.71	3.71	-4.28		1	0	8	0	21	0	0	0	2	0	6	6	6	1	1	0	0	2.19	1	115	62	7	26.29	44.44	3.39	4.59	8.97	5.07	122.99	218.24	282.43	239.81	42.62	228	54.43	32.5	3	3	1	2	9.27E-01	1	0	2	0	0	0	0	0	0	0	0	1	0	0.994108946	0.087832101	0.257133697	0.828721	40.99666667	72.74666667	1.666666667	94.14333333	3
XJ 53.18	0.3096	0.0808	0.2818	cyclopropylamine	C1CC1N	NC1CC1	0.004935547	0.000446382	0.005007278	6.0189	8	2	2	Hydrothermal	90	24	23	Human		57.096	57.096	3	1	6.86	7.06	17.13				10.06				1	0	4	0	11	1	0	1	1	0	3	3	3	1	0	0	0	2.17	1	10	8	0	19.82	24.01	2.89	3.25	5.85	5.4	62.42	113.27	212.22	156.12	56.1	198.25	13.97	26.02	1	1	1	2	2.22	1	0	0	0	0	0	0	0	0	0	0	0	0	0.985674678	0.08914658	0.260981912	0.820008	62.42	113.27	3	212.22	0
XJ 53.19	0.3062	0.0811	0.6313	"2,4,6-tapyr"	C1=C(N=C(N=C1N)N)N	NC1=CC(N)=NC(N)=N1	0.005044951	0.000448039	0.004952289	5.9837	8	4	1	Hydrothermal	90	24	23	Human		125.135	125.135	4	5	12.02	12	37.4		17.13		7.28	1.67	-6.63		0	1	3	6	16	0	0	0	3	0	6	6	6	0	0	1	0	2.08	1	159	84	9	23.79	45.09	4.03	4.4	8.77	3.64	106.43	165.9	265.5	181.86	83.63	91.05	174.45	103.84	5	5	3	6	-1.28	3	0	2	0	3	0	0	0	0	0	0	0	0	1.018711131	0.090471116	0.264859569	0.843116	21.286	33.18	0.8	53.1	3
XJ 53.02	0.3112	0.0805	0.2175	"1,4-dab"	C(CCN)CN	NCCCCN	0.002467273	0.000444724	0.005033155	6.0598	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.490204051	0.088358955	0.258676093	0.407154	51.475	91.505	2	138.285	0
XJ 53.20	0.308	0.0822	0.6503	1-(2-Aminoethyl)piperazine	C1CN(CCN1)CCN	NCCN1CCNCC1	0.005033009	0.000454116	0.004981401	6.1205	8	2	2	Hydrothermal	90	24	23	Human		129.207	129.207	6	3	15.42	15.64	38.69				9.61	8.97	2.31		1	0	9	0	24	0	0	0	3	0	6	6	6	1	1	0	2	1.85	1	203	94	8	28.28	48.66	3.33	5.31	10.49	5.69	139.55	245.37	303.98	279.23	24.74	279.23	24.74	41.29	3	3	2	3	3.15	1	1	1	0	0	0	0	0	0	0	0	1	0	1.010360225	0.091162322	0.266883117	0.82232	46.51666667	81.79	2	101.3266667	1
XJ 53.21	0.3065	0.0818	0.4281	amylamine	CCCCCN	CCCCCN	0.004911319	0.000451906	0.004957141	6.0715	8	3	2	Hydrothermal	90	24	23	Human		87.166	87.166	5	1	11.68	11.5	28.39				10.21				0	0	6	0	18	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21	39.94	2.88	5.22	10.29	5.02	108.02	199.26	307.98	222.76	85.22	295.56	12.42	26.02	1	1	1	2	1.15	1	0	0	0	0	0	0	0	0	0	0	0	0	0.990756382	0.091162684	0.266884176	0.808914	108.02	199.26	5	307.98	0
XJ 53.22	0.3077	0.0906	0.5737	1-ethylpiperazine	CCN1CCNCC1	CCN1CCNCC1	0.005023995	0.000500522	0.004976549	6.0897	8	3	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.96	14.12	35.49				9.41	5.04			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.67	45.3	3.57	4.82	9.47	5.45	127.56	231.12	301.26	256.24	45.02	287.72	13.54	15.27	2	2	1	1	2.19	0	1	1	0	0	0	0	0	0	0	0	1	0	1.009533932	0.100576144	0.294442639	0.824999	63.78	115.56	3	150.63	1
XJ 53.23	0.3096	0.0818	0.432	" N,N-dimethylethylenediamine"	CN(C)CCN	CN(C)CCN	0.004900515	0.000451906	0.005007278	6.0278	8	1	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	10.95	11.17	27.94				9.48	6.63			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	2	2.63	0	58	32	3	22.37	38.06	3.12	4.54	9.07	5.26	104.38	192.95	289.9	227.82	62.07	271.02	18.87	29.26	2	2	1	2	2.41	1	0	1	0	0	0	0	0	0	0	0	0	0	0.978678433	0.090249879	0.264211886	0.812986	52.19	96.475	2	144.95	1
XJ 53.24	0.3077	0.0853	0.5094	4-aminopiperazine	C1CN(CCN1)N	NN1CCNCC1	0.005035936	0.000471242	0.004976549	6.0097	8	4	1	Hydrothermal	90	24	23	Human		101.153	101.153	4	3	11.36	11.75	29.93				8.38	3.93	-2.34		1	0	7	0	18	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	25.33	38.43	3.41	4.01	7.85	5.54	105.29	183.6	245.09	219.78	25.31	186.72	58.37	41.29	3	3	2	3	1.12	1	1	1	0	0	0	0	0	0	0	0	1	0	1.011933383	0.09469255	0.27721807	0.837968	35.09666667	61.2	1.333333333	81.69666667	2
XJ 53.25	0.3107	0.0808	0.575	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@H](CN1)C	C[C@H]1CN[C@H](C)CN1	0.005035379	0.000446382	0.005025069	6.099	8	4	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.002051768	0.088830966	0.260057934	0.825607	63.41	112.41	3	146.28	1
XJ 53.03	0.3099	0.0809	0.2162	dmed	CNCCNC	CNCCNC	0.002452526	0.000446934	0.00501213	5.9943	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.489318163	0.089170505	0.261051952	0.409143	51.995	97.555	2	162.93	1
XJ 53.04	0.3088	0.0835	0.3526	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003520192	0.000461298	0.004994339	2.0004	8	4	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.704836308	0.092364155	0.270401554	1.759744	55.265	100.345	2.5	137.02	1
XJ 53.05	0.3096	0.0848	0.0361	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.00031065	0.00046848	0.005007278	2.022	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.062039669	0.093559777	0.273901809	0.153635	69.83	132.425	3	185.57	1
XJ 53.06	0.3067	0.0815	0.0707	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000608392	0.000450249	0.004960375	2.0162	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.122650369	0.090769117	0.265731986	0.301752	69.83	132.425	3	185.57	1
XJ 53.07	0.3062	0.0815	0.4416	"1,4-dab"	C(CCN)CN	NCCCCN	0.005009415	0.000450249	0.004952289	2.0423	8	3	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.011535436	0.090917336	0.266165905	2.45283	51.475	91.505	2	138.285	0
XJ 53.08	0.3083	0.0825	0.4353	dmed	CNCCNC	CNCCNC	0.004937949	0.000455773	0.004986253	6.0242	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.990312739	0.091406	0.267596497	0.819686	51.995	97.555	2	162.93	1
XJ 53.09	0.3063	0.0839	0.502	1-mpip	CN1CCNCC1	CN1CCNCC1	0.005011731	0.000463508	0.004953906	6.1217	8	4	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	1.011672562	0.0935641	0.273914463	0.818683	55.265	100.345	2.5	137.02	1
XJ 58.01	0.3099	0.0859	0.6525	Bis(3-Aminopropyl)amine	C(CN)CNCCCN	NCCCNCCCN	0.004972451	0.000474557	0.00501213	6.0366	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.992083494	0.094681661	0.277186189	0.823717	49.79666667	88.33333333	2	123.2266667	1
XJ 58.10	0.3093	0.086	0.5138	3-dimethylamino-1-propylamine	CN(C)CCCN	CN(C)CCCN	0.005028332	0.000475109	0.005002426	6.0003	8	2	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	12.99	13.01	32.8				9.99	8.13			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	3	2.68	0	108	52	4	23.8	43.55	3.26	5.18	10.2	5.37	121.35	223.84	323.35	231.33	92.03	304.31	19.04	29.26	2	2	1	2	2.73	1	0	1	0	0	0	0	0	0	0	0	0	0	1.005178701	0.094975767	0.278047203	0.838013	60.675	111.92	2.5	161.675	0
XJ 58.11	0.3083	0.0811	1.0035	BAPP	C1CN(CCN1CCCN)CCCN	NCCCN1CCN(CCCN)CC1	0.005009235	0.000448039	0.004986253	6.0495	8	2	2	Hydrothermal	90	24	23	Human		200.33	200.33	10	4	25.33	24.55	61.67				10.18	9.58	7.26	1.46	1	0	14	0	38	0	0	0	8	0	6	6	6	1	1	0	6	2.05	1	1200	367	15	28.19	76.51	3.51	8.43	16.96	6.17	220.05	386.39	447.79	361.16	86.62	415.91	31.88	58.52	4	4	2	4	3.06	2	0	2	0	0	0	0	0	0	0	0	1	0	1.004609099	0.089854868	0.263055465	0.828041	55.0125	96.5975	2.5	111.9475	2
XJ 58.12	0.3078	0.0824	0.4987	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.004978785	0.000455221	0.004978166	5.9961	8	4	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.000124356	0.091443507	0.267706303	0.830337	54.92	97.755	2.5	131.715	1
XJ 58.02	0.3097	0.0846	0.6426	1-(2-Aminoethyl)piperidine	C1CN(CCN1)CCN	NCCN1CCNCC1	0.004973415	0.000467375	0.005008895	6.1622	8	2	2	Hydrothermal	90	24	23	Human		129.207	129.207	6	3	15.42	15.64	38.69				9.61	8.97	2.31		1	0	9	0	24	0	0	0	3	0	6	6	6	1	1	0	2	1.85	1	203	94	8	28.28	48.66	3.33	5.31	10.49	5.69	139.55	245.37	303.98	279.23	24.74	279.23	24.74	41.29	3	3	2	3	3.15	1	1	1	0	0	0	0	0	0	0	0	1	0	0.992916481	0.093308979	0.273167582	0.807084	46.51666667	81.79	2	101.3266667	1
XJ 58.03	0.3089	0.0816	0.5739	2-(Aminomethyl)piperidine	C1CCNC(C1)CN	NCC1CCCCN1	0.005025746	0.000450801	0.004995957	6.0102	8	2	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.82	14.12	34.46				10.1	7.16			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	27.3	42.6	3.41	4.74	9.44	5.8	126.28	218.92	268.12	216.36	51.76	252.76	15.36	38.05	2	2	2	3	2.16	1	1	0	0	0	0	0	0	0	0	1	0	0	1.005962713	0.090233235	0.26416316	0.836203	63.14	109.46	3	134.06	1
XJ 58.04	0.3142	0.0832	0.4433	3-(methylamino)propylamine	CNCCCN	CNCCCN	0.0050287	0.000459641	0.005081676	6.0198	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.11	11.17	27.51				10.35	8.06			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.92	38.43	2.6	5.15	10.28	5.15	103.54	188.99	301.54	211.8	89.74	278.25	23.29	38.05	2	2	2	3	3	1	1	0	0	0	0	0	0	0	0	0	0	0	0.989575134	0.090450594	0.264799491	0.83536	51.77	94.495	2	150.77	0
XJ 58.05	0.3091	0.0796	0.4632	2-methylpyrazine	Cc1cnccn1	Cc1cnccn1	0.004921534	0.000439752	0.004999191	6.051	8	4	2	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.73	10.3	26.34				1.42	-1.12			0	1	1	6	13	0	0	0	1	0	6	6	6	0.2	0	1	0	1.82	1	71	42	5	18.85	35.91	3.2	4.08	8.09	4	90.4	153.3	278.39	187.25	91.15	232.53	45.86	25.78	2	2	0	0	8.73E-01	0	0	2	0	0	0	0	0	0	0	0	0	0	0.984465989	0.087964683	0.257521838	0.813342	45.2	76.65	2.5	139.195	2
XJ 58.06	0.3076	0.0842	0.5829	"1,4-dimethylpiperazine"	CN1CCN(CC1)C	CN1CCN(C)CC1	0.005104561	0.000465165	0.004974931	6.0277	8	1	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	14.02	14.12	36.04				8.47	2.51			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	0	2.19	1	115	62	7	25.77	45.63	3.51	4.7	9.02	5.44	128.22	235.13	311.44	257.85	53.59	300.22	11.21	6.48	2	2	0	0	1.9	0	0	2	0	0	0	0	0	0	0	0	1	0	1.026056536	0.093501815	0.27373212	0.84685	64.11	117.565	3	155.72	1
XJ 58.07	0.3089	0.0822	0.6458	tmpda	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.004958728	0.000454116	0.004995957	6.0327	8	2	2	Hydrothermal	90	24	23	Human		130.235	130.235	7	2	16.95	16.71	42.87				9.7	7.21			0	0	9	0	26	0	0	0	9	0	0	0	0	1	0	0	4	2.91	0	265	108	6	29.54	51.86	3.54	5.85	10.88	6.94	156.63	295.23	405.77	287.81	117.95	392.53	13.23	6.48	2	2	0	0	2.38	0	0	2	0	0	0	0	0	0	0	0	0	0	0.992548333	0.090896715	0.266105536	0.821975	78.315	147.615	3.5	202.885	1
XJ 58.08	0.3098	0.0803	0.7201	tmbda	CC(CCN(C)C)N(C)C	CC(CCN(C)C)N(C)C	0.004991612	0.000443619	0.005010513	5.9907	8	1	2	Hydrothermal	90	24	23	Human		144.262	144.262	8	2	18.55	18.55	47.29				9.85	7.31			0	0	10	0	29	0	0	0	10	1	0	0	0	1	0	0	4	3.3	0	330	136	9	34.07	51.49	3.81	5.45	10.84	6.7	173.86	325.69	394.55	292.28	102.27	384.34	10.21	6.48	2	2	0	0	2.35	0	0	2	0	0	0	0	0	0	0	0	0	0	0.996227888	0.088537736	0.259199484	0.833227	86.93	162.845	4	197.275	1
XJ 58.09	0.3072	0.0824	0.6406	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.004996139	0.000455221	0.004968462	6.0338	8	2	2	Hydrothermal	90	24	23	Human		128.219	128.219	7	2	15.78	15.97	40.01				10.29	8.51			1	0	9	0	25	0	0	0	4	1	5	5	5	1	1	0	2	1.98	1	185	90	8	29.98	47.06	3.73	5.02	10.17	5.98	143.85	255.25	306.26	234.48	71.78	290.86	15.4	29.26	2	2	1	2	2.56	1	0	1	0	0	0	0	0	0	0	0	0	0	1.005570639	0.091622108	0.268229167	0.828025	71.925	127.625	3.5	153.13	0
XJ 61.01	0.3109	0.082	0.6433	"1,7-diaminoheptane"	C(CCCN)CCCN	NCCCCCCCN	0.004939532	0.000453011	0.005028303	6.0145	8	1	2	Hydrothermal	90	24	23	Human		130.235	130.235	7	2	17.26	16.71	41.18				10.51	9.9			0	0	9	0	26	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	22.79	55.19	3.01	7.01	14.05	6.22	154	274.85	373.53	277.2	96.33	348.74	24.79	52.04	2	2	2	4	1.62	2	0	0	0	0	0	0	0	0	0	0	0	0	0.982345729	0.090092245	0.263750402	0.821271	77	137.425	3.5	186.765	0
XJ 61.02	0.3086	0.0836	0.7358	triethylenetetramine hydrate	O.NCCNCCNCCN	NCCNCCNCCN	0.005031524	0.00046185	0.004991105	6.0325	8	3	1	Hydrothermal	90	24	23	Human		164.253	146.238	6	4	18.04	17.9	43.32				9.77	9.16	6.8	4.05	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	26.29	56.93	3.13	7.1	14.28	5.69	161.8	286.22	390.4	349.78	40.62	349.78	40.62	76.1	4	4	4	6	3.13	2	2	0	0	0	0	0	0	0	0	0	0	0	1.00809827	0.092534703	0.270900843	0.834069	40.45	71.555	1.5	97.6	2
XJ 61.03	0.309	0.081	0.7206	"1,8-diaminooctane"	NCCCCCCCCN	NCCCCCCCCN	0.004995078	0.000447487	0.004997574	6.018	8	2	2	Hydrothermal	90	24	23	Human		144.262	144.262	8	2	19.35	18.55	45.78				10.51	9.9			0	0	10	0	29	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	21.74	61.6	2.99	7.71	15.36	5.53	170.93	305.47	406.16	302.52	103.64	381.39	24.77	52.04	2	2	2	4	1.09	2	0	0	0	0	0	0	0	0	0	0	0	0	0.999500639	0.089540769	0.262135922	0.830023	85.465	152.735	4	203.08	0
XJ 61.04	0.3091	0.0861	0.5074	1-dimethylamino-2-propylamine	CC(N)CN(C)C	CC(N)CN(C)C	0.004965698	0.000475662	0.004999191	6.0273	8	1	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	12.81	13.01	32.36				9.7	6.84			0	0	7	0	20	0	0	0	7	1	0	0	0	1	0	0	2	2.95	0	91	48	4	25.29	40.56	3.26	4.59	9.07	6.01	121.45	222.47	306.34	233.31	73.03	293.59	12.75	29.26	2	2	1	2	2.25	1	0	1	0	0	0	0	0	0	0	0	0	0	0.993300275	0.095147729	0.278550631	0.823868	60.725	111.235	2.5	153.17	1
XJ 61.05	0.3093	0.081	0.5738	"1,2-diaminocyclohexane (mixture of cis and trans)"	NC1CCCCC1N	NC1CCCCC1N	0.00502487	0.000447487	0.005002426	6.0287	8	2	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.71	14.12	33.95				9.99	7.35			1	0	8	0	22	1	0	1	2	2	6	6	6	1	0	0	0	2.28	1	106	60	8	29.05	43.33	3.86	4.14	7.86	5.46	125.89	210.9	237.01	191.46	45.55	223.42	13.59	52.04	2	2	2	4	1.48	2	0	0	0	0	0	0	0	0	0	0	0	0	1.0044867	0.08945392	0.261881668	0.833492	62.945	105.45	3	118.505	1
XJ 61.06	0.3087	0.0824	0.7822	"4,4'-dipyridyl"	c1cnccc1c2ccncc2	c1cc(ccn1)-c1ccncc1	0.005008067	0.000455221	0.004992722	6.0091	8	4	1	Hydrothermal	90	24	23	Human		156.188	156.188	10	2	16.51	19.57	46.88				5.25	4.44			0	2	0	12	21	0	0	0	0	0	12	6	6	0	0	2	1	1.66	2	477	198	14	27.3	52.51	3.43	5.02	9.98	5.01	144.04	228.07	329.57	221.02	108.55	261.73	67.84	25.78	2	2	0	0	-1.46	0	0	2	0	0	0	0	0	0	0	0	0	2	1.003073518	0.091176908	0.266925818	0.833414	72.02	114.035	5	164.785	2
XJ 61.07	0.3084	0.088	0.7328	"1,3-diiminoisoindoline"	c1ccc2c(c1)C(=N)NC2=N	N=C1NC(=N)c2ccccc12	0.005048049	0.000486158	0.00498787	5.99	8	4	1	Hydrothermal	90	24	23	Human		145.165	145.165	8	3	14.92	15.84	64.26				7.67	4.05			1	1	5	6	19	0	1	1	2	0	9	5	6	0	1	0	0	2.07	2	273	137	15	24.14	51.73	3.85	4.7	8.77	3.53	124.36	186.54	273.34	188.28	85.06	172.26	101.08	59.73	3	3	3	3	-2.13	0	3	0	0	0	0	0	2	0	0	0	0	0	1.012065031	0.097468118	0.285343709	0.842746	41.45333333	62.18	2.666666667	91.11333333	2
XJ 63.01	0.3104	0.0834	0.6378	2-(2-Aminoethyl)-1-methyl-pyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.004974302	0.000460745	0.005020217	3.0333	8	2	2	Hydrothermal	90	24	23	Human		128.219	128.219	7	2	15.78	15.97	40.01				10.29	8.51			1	0	9	0	25	0	0	0	4	1	5	5	5	1	1	0	2	1.98	1	185	90	8	29.98	47.06	3.73	5.02	10.17	5.98	143.85	255.25	306.26	234.48	71.78	290.86	15.4	29.26	2	2	1	2	2.56	1	0	1	0	0	0	0	0	0	0	0	0	0	0.990853992	0.091778006	0.268685567	1.639898	71.925	127.625	3.5	153.13	0
XJ 63.02	0.3084	0.0808	0.6489	tmpda	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.004982532	0.000446382	0.00498787	3.0529	8	1	2	Hydrothermal	90	24	23	Human		130.235	130.235	7	2	16.95	16.71	42.87				9.7	7.21			0	0	9	0	26	0	0	0	9	0	0	0	0	1	0	0	4	2.91	0	265	108	6	29.54	51.86	3.54	5.85	10.88	6.94	156.63	295.23	405.77	287.81	117.95	392.53	13.23	6.48	2	2	0	0	2.38	0	0	2	0	0	0	0	0	0	0	0	0	0	0.998929726	0.089493454	0.261997406	1.632065	78.315	147.615	3.5	202.885	1
XJ 63.03	0.3085	0.0858	0.7156	tmbda	CC(CCN(C)C)N(C)C	CC(CCN(C)C)N(C)C	0.004960419	0.000474004	0.004989487	3.0356	8	1	2	Hydrothermal	90	24	23	Human		144.262	144.262	8	2	18.55	18.55	47.29				9.85	7.31			0	0	10	0	29	0	0	0	10	1	0	0	0	1	0	0	4	3.3	0	330	136	9	34.07	51.49	3.81	5.45	10.84	6.7	173.86	325.69	394.55	292.28	102.27	384.34	10.21	6.48	2	2	0	0	2.35	0	0	2	0	0	0	0	0	0	0	0	0	0	0.994174138	0.095000611	0.278119935	1.634082	86.93	162.845	4	197.275	1
XJ 63.04	0.3096	0.0916	0.5164	3-dimethylamino-1-propylamine	CN(C)CCCN	CN(C)CCCN	0.005053777	0.000506047	0.005007278	3.0743	8	1	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	12.99	13.01	32.8				9.99	8.13			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	3	2.68	0	108	52	4	23.8	43.55	3.26	5.18	10.2	5.37	121.35	223.84	323.35	231.33	92.03	304.31	19.04	29.26	2	2	1	2	2.73	1	0	1	0	0	0	0	0	0	0	0	0	0	1.009286303	0.101062212	0.295865633	1.643879	60.675	111.92	2.5	161.675	0
XJ 64.02	0.309	0.0806	0.5125	homopiperazine	C1CNCCNC1	C1CNCCNC1	0.005116558	0.000445277	0.004997574	6.0028	8	4	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.75	12.27	30.31				10.32	7.36			1	0	7	0	19	0	0	0	0	0	7	7	7	1	1	0	0	1.75	1	70	42	7	27.01	37.47	3.37	3.79	7.5	5.64	109.74	195.09	238.43	192.8	45.63	222.65	15.78	24.06	2	2	2	2	2.91	0	2	0	0	0	0	0	0	0	0	0	0	0	1.023808289	0.089098592	0.260841424	0.852362	54.87	97.545	2.5	119.215	1
XJ 64.03	0.3085	0.0894	0.596	hexamethylenediamine	C(CCCN)CCN	NCCCCCCN	0.005128735	0.000493893	0.004989487	6.0315	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	1.027908154	0.098986651	0.289789303	0.850325	68.455	122.045	3	170.225	0
XJ 64.04	0.3091	0.0906	0.5401	m-phenylenediamine	c1cc(cc(c1)N)N	Nc1cccc(N)c1	0.004994267	0.000500522	0.004999191	6.0176	8	4	1	Hydrothermal	90	24	23	Human		108.144	108.144	6	2	11.71	12.62	35.46				5.48	2.73			0	1	2	6	16	0	1	1	2	0	6	6	6	0	0	0	0	2.23	1	110	61	7	21.73	43.49	3.87	4.43	8.2	3.55	104.05	165.61	257.32	160.24	97.07	166.27	91.04	52.04	2	2	2	4	-9.82E-01	2	0	0	0	2	0	0	0	0	0	0	0	0	0.999014955	0.100120606	0.293109026	0.829943	52.025	82.805	3	128.66	2
XJ 64.05	0.3092	0.082	0.5815	"N-isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.005003958	0.000453011	0.005000809	6.1379	8	2	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.02	14.86	36.68				10.46	8.11			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.56	49.19	3.31	5.78	11.49	5.83	137.54	249.72	349.48	258.66	90.82	330.71	18.77	38.05	2	2	2	3	2.29	1	1	0	0	0	0	0	0	0	0	0	0	0	1.000629848	0.090587578	0.265200517	0.815256	68.77	124.86	3	174.74	0
XJ 64.06	0.311	0.0833	0.5042	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.004934381	0.000460193	0.005029921	6.075	8	2	1	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.05	13.01	31.92				10.23	7.16			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	21.04	43.75	2.82	5.42	10.82	5.45	120.44	220.25	315.61	251.67	63.95	296.56	19.05	38.05	2	2	2	3	2.32	1	1	0	0	0	0	0	0	0	0	0	0	0	0.981005744	0.091491109	0.267845659	0.812244	60.22	110.125	2.5	157.805	1
XJ 64.07	0.3099	0.0819	0.6419	octylamine	CCCCCCCCN	CCCCCCCCN	0.00496646	0.000452459	0.00501213	6.0838	8	3	1	Hydrothermal	90	24	23	Human		129.247	129.247	8	1	17.88	17.04	42.2				10.21				0	0	9	0	27	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	24.62	57.45	3.14	7.13	14.21	5.66	159.01	291.47	395.04	292.61	102.43	382.62	12.43	26.02	1	1	1	2	-2.71E-01	1	0	0	0	0	0	0	0	0	0	0	0	0	0.990888013	0.090272736	0.2642788	0.816342	159.01	291.47	8	395.04	0
XJ 64.08	0.3092	0.0829	0.7143	"N,N,N',N'-tetramethyl-1,4-butanediamine"	CN(C)CCCCN(C)C	CN(C)CCCCN(C)C	0.004951408	0.000457983	0.005000809	6.0655	8	4	2	Hydrothermal	90	24	23	Human		144.262	144.262	8	2	19.04	18.55	47.52				10.09	9.48			0	0	10	0	29	0	0	0	10	0	0	0	0	1	0	0	5	2.91	0	412	151	7	28.57	61.89	3.77	6.54	13.07	5.58	173.8	325.69	438.36	313.21	125.15	424.83	13.54	6.48	2	2	0	0	2.54	0	0	2	0	0	0	0	0	0	0	0	0	0	0.990121435	0.091581831	0.268111255	0.816323	86.9	162.845	4	219.18	0
XJ 64.09	0.3096	0.0896	0.6459	"1,3,5-trimethylhexahydro-1,3,5-triazine"	CN1CN(CN(C1)C)C	CN1CN(C)CN(C)C1	0.004998955	0.000494998	0.005007278	6.1226	8	1	2	Hydrothermal	90	24	23	Human		129.207	129.207	6	3	15.45	15.64	38.49				5.16	1.91	-1.18		1	0	9	0	24	0	0	0	3	0	6	6	6	1	1	0	0	2.08	1	159	84	9	30	50.47	4.33	4.56	9.03	4.42	141.42	258.46	344.55	266.28	78.27	328.87	15.68	9.72	3	3	0	0	1.95	0	0	3	0	0	0	0	0	0	0	0	0	0	0.998337848	0.098855614	0.289405685	0.816476	47.14	86.15333333	2	114.85	3
XJ 66.01	0.31	0.0821	0.3039	ethylenediamine	NCCN	NCCN	0.005056572	0.000453564	0.005013747	6.0748	8	2	2	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	1.008541517	0.090463991	0.26483871	0.832385	34.51	60.835	1	108.375	1
XJ 66.10	0.3095	0.0821	0.9451	tetraethylenepentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.00499242	0.000453564	0.005005661	6	8	2	2	Hydrothermal	90	24	23	Human		189.307	189.307	8	5	23.46	23.11	56.04				9.81	9.25	8.47	4.92	0	0	13	0	35	0	0	0	13	0	0	0	0	1	0	0	10	2.76	0	1365	364	10	40.37	68.93	4.63	7.51	15.17	8.38	208.22	368.08	472.67	425.28	47.39	425.28	47.39	88.13	5	5	5	7	3.27	2	3	0	0	0	0	0	0	0	0	0	0	0	0.997354802	0.090610136	0.265266559	0.83207	41.644	73.616	1.6	94.534	1
XJ 66.11	0.308	0.0812	0.7255	triethylenetetramine hydrate	O.NCCNCCNCCN	NCCNCCNCCN	0.004961091	0.000448592	0.004981401	5.982	8	2	2	Hydrothermal	90	24	23	Human		164.253	146.238	6	4	18.04	17.9	43.32				9.77	9.16	6.8	4.05	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	26.29	56.93	3.13	7.1	14.28	5.69	161.8	286.22	390.4	349.78	40.62	349.78	40.62	76.1	4	4	4	6	3.13	2	2	0	0	0	0	0	0	0	0	0	0	0	0.995922876	0.090053292	0.263636364	0.829336	40.45	71.555	1.5	97.6	2
XJ 66.12	0.3103	0.0924	0.3605	diethylamine	CCNCC	CCNCC	0.004928971	0.000510466	0.005018599	5.9594	8	2	2	Hydrothermal	90	24	23	Human		73.139	73.139	4	1	9.72	9.65	24.19				10.58				0	0	5	0	15	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	20.26	34.21	2.95	4.59	9.05	5.27	91.54	174.93	306.55	212.55	94	297.34	9.2	12.03	1	1	1	1	2.47	0	1	0	0	0	0	0	0	0	0	0	0	0	0.98214073	0.101714876	0.297776345	0.827092	91.54	174.93	4	306.55	0
XJ 66.13	0.3091	0.0817	0.594	"(1S,2S)-(\+)-1,2-diaminocyclohexane"	C1CC[C@@H]([C@H](C1)N)N	N[C@H]1CCCC[C@@H]1N	0.005201765	0.000451354	0.004999191	5.9881	8	3	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.71	14.12	33.95				9.99	7.35			1	0	8	0	22	1	0	1	2	2	6	6	6	1	0	0	0	2.28	1	106	60	8	27.98	43.66	3.7	4.13	7.85	5.52	125.93	210.74	236.76	191.26	45.5	223.2	13.56	52.04	2	2	2	4	1.48	2	0	0	0	0	0	0	0	0	0	0	0	0	1.040521377	0.090285359	0.264315755	0.868684	62.965	105.37	3	118.38	1
XJ 66.02	0.3099	0.0832	0.7359	tris(2-Aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.005032208	0.000459641	0.00501213	6.0428	8	4	1	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	17.76	17.9	43.84				9.85	9.37	8.89	1.45	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	6	3.3	0	333	138	9	38.2	56.51	4.79	5.2	10.39	5.81	162.45	282.72	351.37	314.22	37.15	314.22	37.15	81.3	4	4	3	6	2.92	3	0	1	0	0	0	0	0	0	0	0	0	0	1.004005829	0.091705636	0.268473701	0.832761	40.6125	70.68	1.5	87.8425	1
XJ 66.03	0.3093	0.0855	0.5787	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.004979864	0.000472347	0.005002426	6.0976	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.08	14.86	37.58				10.24	7.7			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	24.2	49.69	3.14	5.84	11.67	5.18	138.86	260.23	379.99	266.63	113.36	362.84	17.15	15.27	2	2	1	1	2.87	0	1	1	0	0	0	0	0	0	0	0	0	0	0.995489726	0.094423582	0.27643065	0.816692	69.43	130.115	3	189.995	1
XJ 66.04	0.3107	0.0822	0.6532	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.005015549	0.000454116	0.005025069	6.0517	8	1	2	Hydrothermal	90	24	23	Human		130.235	130.235	7	2	16.45	16.71	41.56				9.81	8.05			0	0	9	0	26	0	0	0	9	0	0	0	0	1	0	0	3	3.58	0	189	92	8	31.65	49.51	3.79	4.88	9.64	6.25	155.78	288.57	326.31	248.77	77.54	315.36	10.95	29.26	2	2	1	2	2.28	1	0	1	0	0	0	0	0	0	0	0	0	0	0.998105514	0.090370117	0.264563888	0.828783	77.89	144.285	3.5	163.155	0
XJ 66.05	0.3099	0.1046	0.47	4-Aminopyridine	c1cnccc1N	Nc1ccncc1	0.004993784	0.000577865	0.00501213	6.0222	8	2	1	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.62	10.56	28.6				8.95	-4.94			0	1	1	6	13	0	0	0	1	0	6	6	6	0	0	1	0	1.82	1	71	42	5	18.85	37.05	3.31	3.87	7.34	3.54	88.79	143.15	244.18	123.31	120.87	206.1	38.09	38.91	2	2	1	2	1.04	1	0	1	0	1	0	0	0	0	0	0	0	1	0.996339739	0.115293384	0.337528235	0.829229	44.395	71.575	2.5	122.09	1
XJ 66.06	0.3078	0.0854	0.5686	1-ethylpiperazine	CCN1CCNCC1	CCN1CCNCC1	0.004979333	0.000471795	0.004978166	6.1245	8	1	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.96	14.12	35.49				9.41	5.04			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.67	45.3	3.57	4.82	9.47	5.45	127.56	231.12	301.26	256.24	45.02	287.72	13.54	15.27	2	2	1	1	2.19	0	1	1	0	0	0	0	0	0	0	0	1	0	1.000234447	0.094772761	0.277452891	0.813019	63.78	115.56	3	150.63	1
XJ 66.07	0.308	0.0805	0.6547	spermidine	NCCCCNCCCN	NCCCCNCCCN	0.004507401	0.000444724	0.004981401	6.0863	8	4	2	Hydrothermal	90	24	23	Human		145.25	145.25	7	3	18.8	18.22	44.97				10.68	10.02	8.15		0	0	10	0	28	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	23.8	60.04	3.23	7.65	15.11	5.34	166.44	295.73	402.09	294.03	108.06	370.08	32.01	64.07	3	3	3	5	2.83	2	1	0	0	0	0	0	0	0	0	0	0	0	0.904846123	0.08927697	0.261363636	0.740581	55.48	98.57666667	2.333333333	134.03	0
XJ 66.08	0.3089	0.0803	1.188	"4,4'-trimethylene bis(1-methyl-piperidine)"	CN1CCC(CCCC2CCN(C)CC2)CC1	CN1CCC(CCCC2CCN(C)CC2)CC1	0.004982824	0.000443619	0.004995957	6.1435	8	4	1	Hydrothermal	90	24	23	Human		238.419	238.419	15	2	31.43	30	76.16				9.72	9.11			2	0	17	0	48	0	0	0	5	0	12	6	6	1	2	0	4	1.54	2	2310	628	20	39.05	84.54	3.95	8.67	17.22	6.74	270.42	477.88	503.89	388.18	115.71	493.54	10.35	6.48	2	2	0	0	8.08E-01	0	0	2	0	0	0	0	0	0	0	2	0	0	0.997371414	0.088795696	0.259954678	0.811073	135.21	238.94	7.5	251.945	0
XJ 66.09	0.3096	0.0847	0.8521	"N,N,N',N'-tetramethyl-1,6-hexanediamine"	CN(C)CCCCCCN(C)C	CN(C)CCCCCCN(C)C	0.004944985	0.000467927	0.005007278	6.0488	8	1	2	Hydrothermal	90	24	23	Human		172.316	172.316	10	2	23.24	22.25	56.72				10.09	9.49			0	0	12	0	35	0	0	0	12	0	0	0	0	1	0	0	7	2.91	0	876	268	9	30.42	73.87	4.08	7.82	15.1	5.3	207.74	387.16	503.86	364.04	139.82	490.35	13.51	6.48	2	2	0	0	1.94	0	0	2	0	0	0	0	0	0	0	0	0	0	0.987559463	0.093449447	0.273578811	0.817515	103.87	193.58	5	251.93	0
XJ 69.01	0.309	0.0877	0.5123	"2,2-dimethyl-1,3-propanediamine"	CC(C)(CN)CN	CC(C)(CN)CN	0.005013652	0.000484501	0.004997574	5.9944	8	3	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	12.59	13.01	31.49				9.88	8.14			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	2	3.36	0	76	44	6	29.31	38.59	3.5	4.08	8.14	6.35	120.49	216.26	256.91	193.47	63.44	243.39	13.52	52.04	2	2	2	4	2.41	2	0	0	0	0	0	0	0	0	0	0	0	0	1.003217211	0.096947227	0.28381877	0.836389	60.245	108.13	2.5	128.455	0
XJ 69.10	0.309	0.0822	0.7906	3-Aminopyrrolidinedihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.009178295	0.000454116	0.004997574	6.0618	8	4	1	Hydrothermal	90	24	23	Human		159.05	86.138	4	2	9.94	10.43	25.21				10.84	7.37			1	0	6	0	16	0	0	0	1	1	5	5	5	1	1	0	0	2.18	1	39	26	2	23.8	31.79	3.08	3.73	7.45	5.36	91.93	159.14	222.24	177.69	44.56	203.37	18.87	38.05	2	2	2	3	2.54	1	1	0	0	0	0	0	0	0	0	0	0	0	1.836550155	0.090867299	0.266019417	1.51412	45.965	79.57	2	111.12	1
XJ 69.11	0.3096	0.0819	1.0718	"4,4'-trimethylenedipiperidine"	C1CNCCC1CCCC2CCNCC2	C(CC1CCNCC1)CC1CCNCC1	0.005094954	0.000452459	0.005007278	6.0343	8	3	1	Hydrothermal	90	24	23	Human		210.365	210.365	13	2	26.84	26.3	65.57				10.66	10.05			2	0	15	0	42	0	0	0	3	0	12	6	6	1	2	0	4	1.43	2	1442	436	16	36.08	70.75	3.9	7.25	14.22	7.2	234.9	408.69	424.33	328.32	96.01	407.64	16.69	24.06	2	2	2	2	8.01E-01	0	2	0	0	0	0	0	0	0	0	2	0	0	1.01750971	0.090360209	0.264534884	0.844332	117.45	204.345	6.5	212.165	0
XJ 69.12	0.3098	0.083	0.3737	N-methylethylenediamine	CNCCN	CNCCN	0.005041348	0.000458536	0.005010513	6.102	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.09	9.32	22.64				10.08	7.09			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	17.62	32.49	2.6	4.49	9	5.06	86.53	158.4	270.8	217.23	53.58	246.59	24.22	38.05	2	2	2	3	3.08	1	1	0	0	0	0	0	0	0	0	0	0	0	1.006154113	0.091514721	0.267914784	0.82618	43.265	79.2	1.5	135.4	1
XJ 69.13	0.3086	0.0821	1.3289	spermine	NCCCNCCCCNCCCN	NCCCNCCCCNCCCN	0.006567464	0.000453564	0.004991105	6.068	8	4	2	Hydrothermal	90	24	23	Human		202.346	202.346	10	4	26.39	25.28	62.56				10.8	10.2	8.45	7.85	0	0	14	0	39	0	0	0	14	0	0	0	0	1	0	0	11	2.78	0	1820	455	11	35.54	81.12	4	9.15	18.26	6.3	229.87	408.16	517.96	380.8	137.16	478.73	39.22	76.1	4	4	4	6	2.91	2	2	0	0	0	0	0	0	0	0	0	0	0	1.315833693	0.090874391	0.266040181	1.082311	57.4675	102.04	2.5	129.49	1
XJ 69.02	0.309	0.0807	0.6449	1-methylheptylamine	CCCCCCC(C)N	CCCCCCC(C)N	0.004989671	0.000445829	0.004997574	6.0098	8	3	1	Hydrothermal	90	24	23	Human		129.247	129.247	8	1	17.7	17.04	42.01				10.43				0	0	9	0	27	0	0	0	9	1	0	0	0	1	0	0	5	2.75	0	297	114	6	28.05	57.14	3.4	6.6	13.05	5.85	159.07	289.05	391.41	294.19	97.21	383.91	7.49	26.02	1	1	1	2	0.00E+00	1	0	0	0	0	0	0	0	0	0	0	0	0	0.998418622	0.089209136	0.261165049	0.830256	159.07	289.05	8	391.41	0
XJ 69.03	0.3088	0.087	0.6133	4-aminobenzylamine	NCc1ccc(N)cc1	NCc1ccc(N)cc1	0.005020013	0.000480634	0.004994339	6.0801	8	2	1	Hydrothermal	90	24	23	Human		122.171	122.171	7	2	13.78	14.86	39.23				9.43	4.21			0	1	3	6	19	0	1	1	3	0	6	6	6	0.14	0	0	1	1.94	1	187	90	9	23.68	46.2	3.5	5.05	10.11	4.73	121.89	197.12	287.38	201.67	85.71	169.67	117.71	52.04	2	2	2	4	6.33E-01	2	0	0	0	1	0	0	0	0	0	0	0	0	1.005140543	0.096235707	0.281735751	0.825646	60.945	98.56	3.5	143.69	1
XJ 69.04	0.3091	0.081	0.5892	"1,5-diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.005070219	0.000447487	0.004999191	6.0772	8	2	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	36.45				10.52	9.92			0	0	8	0	23	0	0	0	8	1	0	0	0	1	0	0	4	2.86	0	170	76	6	26.26	48.37	3.43	5.34	10.67	5.41	137.18	242.96	314.98	238.37	76.61	294.1	20.88	52.04	2	2	2	4	1.98	2	0	0	0	0	0	0	0	0	0	0	0	0	1.014207815	0.0895118	0.262051116	0.834302	68.59	121.48	3	157.49	0
XJ 69.05	0.3093	0.0868	0.3621	sec-butylamine	CCC(C)N	CCC(C)N	0.004950847	0.000479529	0.005002426	6.0141	8	1	2	Hydrothermal	90	24	23	Human		73.139	73.139	4	1	9.52	9.65	23.61				10.44				0	0	5	0	15	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	21.86	33.74	3.09	4	7.89	5.2	91.1	166.67	258.67	192.09	66.58	250.48	8.2	26.02	1	1	1	2	1.86	1	0	0	0	0	0	0	0	0	0	0	0	0	0.989689205	0.095859263	0.280633689	0.823207	91.1	166.67	4	258.67	0
XJ 69.06	0.3093	0.0831	0.7796	"2,2'-bipyridyl"	c1ccc(nc1)c2ccccn2	c1ccc(nc1)-c1ccccn1	0.004991421	0.000459088	0.005002426	6.0894	8	3	1	Hydrothermal	90	24	23	Human		156.188	156.188	10	2	16.8	19.58	46.14				3.3	0.7			0	2	0	12	21	0	0	0	0	0	12	6	6	0	0	2	1	1.66	2	477	198	14	26.28	52.73	3.35	5.71	11.33	5.31	143.98	228.61	349.64	282.62	67.02	323.63	26.01	25.78	2	2	0	0	-1.23	0	0	2	0	0	0	0	0	0	0	0	0	2	0.997799985	0.091773096	0.268671193	0.81969	71.99	114.305	5	174.82	2
XJ 69.07	0.3098	0.0819	0.5728	"1,2-diaminocyclohexane (mix of cis and trans)"	CCCCN1CCNCC1	CCCCN1CCNCC1	0.004026827	0.000452459	0.005010513	6.0812	8	3	1	Hydrothermal	90	24	23	Human		142.246	142.246	8	2	18.09	17.81	44.62				9.51	5.18			1	0	10	0	28	0	0	0	4	0	6	6	6	1	1	0	3	2.02	1	323	133	9	28.44	56.71	3.57	6.08	12.12	5.79	161.53	292.7	372.43	309	63.43	359.39	13.05	15.27	2	2	1	1	1.34	0	1	1	0	0	0	0	0	0	0	0	1	0	0.803675594	0.090301875	0.264364106	0.662176	80.765	146.35	4	186.215	1
XJ 69.08	0.3101	0.084	0.7863	2-Amino-5-dimethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.004967496	0.00046406	0.005015365	6.2589	8	2	2	Hydrothermal	90	24	23	Human		158.289	158.289	9	2	20.93	20.4	51.36				10.68	10.07			0	0	11	0	32	0	0	0	11	1	0	0	0	1	0	0	6	3.21	0	511	188	10	36.32	63.54	4.32	6.17	12.05	5.83	189.53	344.5	432.9	328.12	104.78	421.37	11.53	29.26	2	2	1	2	1.57	1	0	1	0	0	0	0	0	0	0	0	0	0	0.99045562	0.092527707	0.270880361	0.793669	94.765	172.25	4.5	216.45	0
XJ 69.09	0.3086	0.0864	0.7141	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.005020176	0.000477319	0.004991105	6.0418	8	3	2	Hydrothermal	90	24	23	Human		142.246	142.246	8	2	18.09	17.81	44.62				9.51	5.18			1	0	10	0	28	0	0	0	4	0	6	6	6	1	1	0	3	2.02	1	323	133	9	28.44	56.71	3.57	6.08	12.12	5.79	161.53	292.7	372.43	309	63.43	359.39	13.05	15.27	2	2	1	1	1.34	0	1	1	0	0	0	0	0	0	0	0	1	0	1.005824697	0.095633951	0.279974076	0.830907	80.765	146.35	4	186.215	1
XJ 72.01	0.31	0.0807	0.3745	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.00505214	0.000445829	0.005013747	6.0584	8	3	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.15 Purpose: EA	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.007657521	0.088921365	0.260322581	0.833907	43.025	75.165	1.5	115.245	1
XJ 72.02	0.6174	0.1661	0.7485	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.010097535	0.000917624	0.009985444	6.0732	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.15 Purpose: EA	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.011225475	0.091896143	0.269031422	1.662638	43.025	75.165	1.5	115.245	1
XJ 72.03	0.9274	0.2436	1.1037	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.014889312	0.001345775	0.014999191	6.0871	8	3	1	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.15 Purpose: EA	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.992674289	0.089723142	0.26266983	2.446044	43.025	75.165	1.5	115.245	1
XJ 72.04	0.3087	0.0825	0.5069	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.00506065	0.000455773	0.004992722	6.0629	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 58.12 Purpose: EA	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.013605394	0.09128756	0.267249757	0.834691	54.92	97.755	2.5	131.715	1
XJ 72.05	0.6184	0.1623	1.0357	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.010339939	0.000896631	0.010001617	6.0747	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: XJ 58.12 Purpose: EA	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.033826705	0.08964856	0.262451488	1.702132	54.92	97.755	2.5	131.715	1
XJ 72.06	0.928	0.2445	1.5078	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015053162	0.001350747	0.015008895	6.0868	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: XJ 58.12 Purpose: EA	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.002949379	0.089996406	0.263469828	2.473083	54.92	97.755	2.5	131.715	1
XJ 72.07	0.3088	0.0813	0.5256	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.004602774	0.000449144	0.004994339	5.9975	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.25 Purpose: EA	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.92159823	0.089930609	0.263277202	0.767449	63.41	112.41	3	146.28	1
XJ 72.08	0.6184	0.1639	1.0003	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008759808	0.00090547	0.010001617	5.9954	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.25 Purpose: EA	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.875839151	0.090532341	0.26503881	1.461088	63.41	112.41	3	146.28	1
XJ 72.09	0.3091	0.0848	0.3754	"1,3-diaminopropane"	NCCCN	NCCCN	0.005064282	0.00046848	0.004999191	6.0703	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 33.8 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.013020154	0.093711119	0.274344872	0.834272	42.99	76.16	1.5	122.595	0
XJ 72.10	0.6188	0.1632	0.7408	"1,3-diaminopropane"	NCCCN	NCCCN	0.00999366	0.000901603	0.010008087	6.0725	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 33.8 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.99855845	0.090087416	0.263736264	1.645724	42.99	76.16	1.5	122.595	0
XJ 72.11	0.9283	0.244	1.1031	"1,3-diaminopropane"	NCCCN	NCCCN	0.014881217	0.001347984	0.015013747	6.0945	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 33.8 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.991172757	0.089783339	0.262846063	2.441745	42.99	76.16	1.5	122.595	0
XJ 72.12	0.3086	0.0855	0.2876	"N,N'-dimethylethylenediamine"	CNCCNC	CNCCNC	0.003262472	0.000472347	0.004991105	6.0741	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: HW 37.10 Purpose: EA	88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.653657402	0.094637764	0.27705768	0.537112	51.995	97.555	2	162.93	1
XJ 72.13	0.619	0.1623	0.581	"N,N'-dimethylethylenediamine"	CNCCNC	CNCCNC	0.006590739	0.000896631	0.010011321	6.0726	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 37.10 Purpose: EA	88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.658328576	0.089561663	0.262197092	1.085324	51.995	97.555	2	162.93	1
XJ 72.14	0.9274	0.2469	0.87	"N,N'-dimethylethylenediamine"	CNCCNC	CNCCNC	0.009869093	0.001364006	0.014999191	6.0824	8	2	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 37.10 Purpose: EA	88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.657974987	0.090938603	0.266228165	1.622566	51.995	97.555	2	162.93	1
XJ 72.15	0.3088	0.0842	0.0293	"N,N,N',N'-tetramethylethylenediamine"	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000252134	0.000465165	0.004994339	2.0313	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 44.4 Purpose: EA	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.050483976	0.093138466	0.272668394	0.124125	69.83	132.425	3	185.57	1
XJ 72.16	0.6187	0.163	0.0631	"N,N,N',N'-tetramethylethylenediamine"	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000542992	0.000900498	0.010006469	2.0856	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 44.4 Purpose: EA	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.054264082	0.089991557	0.263455633	0.260353	69.83	132.425	3	185.57	1
XJ 72.17	0.9279	0.2479	0.1001	"N,N,N',N'-tetramethylethylenediamine"	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000861386	0.00136953	0.015007278	1.9937	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 44.4 Purpose: EA	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.057397916	0.091257724	0.26716241	0.432054	69.83	132.425	3	185.57	1
XJ 77.01	0.31	0.1037	0.2914	"1,4-diaminobutane"	NCCCCN	NCCCCN	0.003305579	0.000572893	0.005013747	6.0954	8	2	2	Hydrothermal	90	24	23	Human	Seed reaction: HW 37.1 Purpose: EA	88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.659303038	0.114264505	0.334516129	0.542307	51.475	91.505	2	138.285	0
XJ 77.02	0.311	0.0812	0.4523	"1,4-diaminobutane"	NCCCCN	NCCCCN	0.005130794	0.000448592	0.005029921	2.0092	8	2	1	Hydrothermal	90	24	23	Human	Seed reaction: HW 61.2 Purpose: EA	88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.020054608	0.08918461	0.261093248	2.55365	51.475	91.505	2	138.285	0
XJ 77.03	0.3098	0.0837	0.3675	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.004957708	0.000462403	0.005010513	6.0341	8	2	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.15 Purpose: EA	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.989461163	0.092286531	0.270174306	0.821615	43.025	75.165	1.5	115.245	1
XJ 77.04	0.3093	0.0838	0.5573	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.007518178	0.000462955	0.005002426	6.0028	8	4	2	Hydrothermal	90	24	23	Human	"reactant ratio: boric acid: VOSO4xH2O:Amine(originally intended to be 1,3-dap)=10:1:15 Purpose: EA"	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.50290644	0.092546154	0.270934368	1.252445	43.025	75.165	1.5	115.245	1
XJ 77.05	0.309	0.0841	0.2902	"1,3-diaminopropane"	NCCCN	NCCCN	0.003914903	0.000464613	0.004997574	6.0821	8	4	1	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:8 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.783360648	0.092967638	0.272168285	0.643676	42.99	76.16	1.5	122.595	0
XJ 77.06	0.3086	0.0934	0.4444	"1,3-diaminopropane"	NCCCN	NCCCN	0.005995116	0.000515991	0.004991105	6.0949	8	4	1	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:6 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.201160248	0.103382072	0.302657161	0.983628	42.99	76.16	1.5	122.595	0
XJ 77.07	0.3102	0.0864	0.0503	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000432845	0.000477319	0.005016982	2.0504	8	4	2	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:1 Purpose: EA	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.086275883	0.095140675	0.278529981	0.211102	69.83	132.425	3	185.57	1
XJ 77.08	0.3095	0.091	0.1182	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001017142	0.000502732	0.005005661	2.0554	8	4	1	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:2 Purpose: EA	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.203198287	0.100432672	0.294022617	0.494863	69.83	132.425	3	185.57	1
XJ 77.09	1.2378	0.3333	2.0263	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.020229621	0.001841325	0.020019408	6.0601	8	4	1	Hydrothermal	90	24	23	Human	Purpose: EA	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.010500464	0.091976973	0.269268056	3.338166	54.92	97.755	2.5	131.715	1
XJ 77.10	1.2371	0.3336	2.0402	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.020368392	0.001842982	0.020008087	6.0733	8	4	1	Hydrothermal	90	24	23	Human	Purpose: EA	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.018007992	0.092111852	0.269662921	3.35376	54.92	97.755	2.5	131.715	1
XJ 77.11	0.9281	0.245	1.5098	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015073129	0.001353509	0.015010513	6.0397	8	4	1	Hydrothermal	90	24	23	Human	Purpose: EA	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.004171519	0.090170731	0.263980175	2.495675	54.92	97.755	2.5	131.715	1
XJ 77.12	0.9274	0.2436	1.5966	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015939699	0.001345775	0.014999191	5.9962	8	4	2	Hydrothermal	90	24	23	Human	Purpose: EA	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.062703925	0.089723142	0.26266983	2.6583	54.92	97.755	2.5	131.715	1
XJ 79.01	0.3086	0.0822	0.2658	"2,3-dimethylpiperazine"	CC1C(NCCN1)C	CC1NCCNC1C	0.002327659	0.000454116	0.004991105	6.0718	8	4	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.85	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.28	1	106	60	8	28.73	45.09	3.8	4.2	8.11	5.6	126.89	225.22	281.75	234.28	47.47	268.61	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.466361426	0.090985079	0.266364226	0.383356	63.445	112.61	3	140.875	1
XJ 79.02	0.3099	0.0832	0.5641	"1,3-diaminopropane"	NCCCN	NCCCN	0.007609913	0.000459641	0.00501213	6.0663	8	4	1	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:15	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.518299139	0.091705636	0.268473701	1.254457	42.99	76.16	1.5	122.595	0
XJ 79.03	0.3098	0.0821	0.2341	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.002014491	0.000453564	0.005010513	6.0939	8	4	2	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:4	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.402052919	0.090522392	0.265009684	0.330575	69.83	132.425	3	185.57	1
XJ 79.04	0.3099	0.0822	0.5785	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.004978143	0.000454116	0.00501213	6.0377	8	4	2	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:10	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.993218972	0.090603405	0.265246854	0.82451	69.83	132.425	3	185.57	1
XJ 79.05	0.3097	0.0806	0.4659	"1,3-diaminopropane"	NCCCN	NCCCN	0.006285159	0.000445277	0.005008895	6.0552	8	4	1	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4H2O:Amine=10:1:12	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.254799473	0.088897207	0.260251857	1.037977	42.99	76.16	1.5	122.595	0
XJ 81.01	0.3138	0.0837	0.2885	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002482617	0.000462403	0.005075206	5.9978	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: HW 37.10 reactant ratio: boric acid:VOSO4xH2O:Amine=10:1:5	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.489165814	0.091110158	0.266730402	0.413921	69.44	130.43	3	186.36	1
XJ 81.02	0.3088	0.0821	0.5831	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.005017727	0.000453564	0.004994339	6.0164	8	2	2	Hydrothermal	90	24	23	Human	reactant ratio: boric acid:VOSO4xH2O:Amine=10:1:10	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	1.004682805	0.090815535	0.265867876	0.834008	69.44	130.43	3	186.36	1
XJ 81.03	0.3089	0.0823	0.4388	"1,4-diaminobutane"	NCCCCN	NCCCCN	0.004977653	0.000454669	0.004995957	2.0027	8	2	2	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:10 Purpose: EA	88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.996336255	0.091007295	0.266429265	2.485471	51.475	91.505	2	138.285	0
XJ 82.01	0.3099	0.083	0.3662	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.00494017	0.000458536	0.00501213	2.026	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.15 (except that mH2O is 2g in this rxn)	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.985642873	0.09148519	0.267828332	2.438386	43.025	75.165	1.5	115.245	1
XJ 82.02	0.3085	0.0823	0.4445	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.005996466	0.000454669	0.004989487	2.0778	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.15 reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:12	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.201819979	0.091125295	0.266774716	2.885969	43.025	75.165	1.5	115.245	1
XJ 82.03	0.3097	0.0817	0.5186	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.006996101	0.000451354	0.005008895	2.0204	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.15 reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:14	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.396735365	0.090110444	0.263803681	3.462731	43.025	75.165	1.5	115.245	1
XJ 82.04	0.3089	0.0833	0.3076	"1,2-diaminoproane"	CC(N)CN	CC(N)CN	0.004149635	0.000460193	0.004995957	2.0506	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction: XJ 53.15 reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:8	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.830598697	0.092113094	0.269666559	2.02362	43.025	75.165	1.5	115.245	1
XJ 82.05	0.3089	0.0814	0.2274	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.003067708	0.000449696	0.004995957	2.0088	8	4	1	Hydrothermal	90	24	23	Human	Seed Reaction: XJ 53.15 reactant ratio: boric acid: VOSO4xH2O:Amine=10:1:6	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.614038178	0.090012075	0.263515701	1.527135	43.025	75.165	1.5	115.245	1
XJ 85.01	0.3087	0.0815	0.5092	"1,5-diaminopentane"	NCCCCCN	NCCCCCN	0.004983314	0.000450249	0.004992722	6.0303	8	2	1	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O: Amine=10:1:10	102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.998115646	0.090181044	0.264010366	0.826379	59.985	106.78	2.5	154.115	0
XJ 85.02	0.3105	0.0835	0.9973	3-aminoquinuclidine dihydrochloride	NC1CN2CCC1CC2.Cl.Cl	NC1CN2CCC1CC2	0.007902348	0.000461298	0.005021834	6.0339	8	4	2	Hydrothermal	90	24	23	Human	reactant ratio: boric acid: VOSO4xH2O: Amine=10:1:10	199.12	126.203	7	2	14.59	15.23	37.89				10.07	6.97			2	0	9	0	24	0	0	0	1	2	8	6	6	1	2	0	0	1.86	2	132	76	10	32.01	39.06	3.58	4.09	7.74	6.85	133.56	221.23	227.88	187.29	40.59	216.9	10.98	29.26	2	2	1	2	2.04	1	0	1	0	0	0	0	0	0	0	3	0	0	1.573597954	0.091858458	0.268921095	1.309658	66.78	110.615	3.5	113.94	1
XJ 85.03	0.3098	0.0887	0.5182	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.006990705	0.000490025	0.005010513	2.0226	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.39520755	0.097799466	0.286313751	3.456296	43.025	75.165	1.5	115.245	1
XJ 85.04	0.3094	0.0856	0.5174	"1,2-diaminopropane"	CC(CN)N	CC(N)CN	0.006979913	0.000472899	0.005004043	2.0434	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.394854595	0.094503465	0.276664512	3.415833	43.025	75.165	1.5	115.245	1
XJ 86.01	0.3085	0.085	0.3395	"1,3-diaminopropane"	NCCCN	NCCCN	0.004579978	0.000469585	0.004989487	6.137	8	4	1	Hydrothermal	90	24	23	Human	Reactant ratio: boric acid: VOSO4xH2O: Amine=10:1:9 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.917925496	0.094114824	0.275526742	0.746289	42.99	76.16	1.5	122.595	0
XJ 86.02	0.309	0.0813	0.2594	"1,3-diaminopropane"	NCCCN	NCCCN	0.0034994	0.000449144	0.004997574	5.9987	8	4	1	Hydrothermal	90	24	23	Human	Reactant ratio: boric acid: VOSO4xH2O: Amine=10:1:7 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.700219683	0.089872401	0.263106796	0.58336	42.99	76.16	1.5	122.595	0
XJ 86.03	0.3714	0.8156	0.185	"1,3-diaminopropane"	NCCCN	NCCCN	0.002495717	0.004505804	0.006006793	6.0332	8	4	1	Hydrothermal	90	24	23	Human	Reactant ratio: boric acid: VOSO4xH2O: Amine=12:10:5 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.415482419	0.750118016	2.196015078	0.413664	42.99	76.16	1.5	122.595	0
XJ 86.04	0.3101	0.0865	0.1859	"1,3-diaminopropane"	NCCCN	NCCCN	0.002507858	0.000477872	0.005015365	6.0239	8	4	1	Hydrothermal	90	24	23	Human	Reactant ratio: boric acid: VOSO4xH2O: Amine=10:1:5 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.500035048	0.095281508	0.278942277	0.416318	42.99	76.16	1.5	122.595	0
XJ 86.05	0.3095	0.0818	0.745	"1,3-diaminopropane"	NCCCN	NCCCN	0.010050319	0.000451906	0.005005661	6.0272	8	4	1	Hydrothermal	90	24	23	Human	Reactant ratio: boric acid: VOSO4xH2O: Amine=10:1:20 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	2.007790716	0.090279039	0.264297254	1.667494	42.99	76.16	1.5	122.595	0
XJ 86.06	0.3096	0.0817	0.6367	"1,3-diaminopropane"	NCCCN	NCCCN	0.008589313	0.000451354	0.005007278	6.0105	8	4	1	Hydrothermal	90	24	23	Human	Reactant ratio: boric acid: VOSO4xH2O: Amine=10:1:17 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.715365694	0.09013955	0.263888889	1.429051	42.99	76.16	1.5	122.595	0
XJ 86.07	0.3096	0.0868	0.0837	"1,3-diaminopropane"	NCCCN	NCCCN	0.001129143	0.000479529	0.005007278	6.0196	8	4	1	Hydrothermal	90	24	23	Human	Reactant ratio: boric acid: VOSO4xH2O: Amine=10:1:2 Purpose: EA	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.225500406	0.095766376	0.280361757	0.187578	42.99	76.16	1.5	122.595	0
XJ 88.01	0.6189	0.1632	1.0009	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008765062	0.000901603	0.010009704	5.9881	8	4	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.875656496	0.09007286	0.26369365	1.463747	63.41	112.41	3	146.28	1
XJ 88.02	0.3099	0.087	0.5015	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.004391726	0.000480634	0.00501213	2.0766	8	4	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.876219529	0.095894115	0.280735721	2.114864	63.41	112.41	3	146.28	1
XJ 88.03	0.9271	0.2446	1.5983	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015956671	0.001351299	0.014994339	6.0333	8	4	2	Hydrothermal	90	24	23	Human	Seed reation: XJ 77.12	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.064179698	0.090120616	0.263833459	2.644767	54.92	97.755	2.5	131.715	1
XJ 88.04	0.309	0.083	0.5129	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.006919206	0.000458536	0.004997574	2.0018	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.384513013	0.091751652	0.268608414	3.456492	43.025	75.165	1.5	115.245	1
XJ 88.05	2.1933	0.5829	2.0267	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.017440279	0.003220246	0.035473071	42.5339	8	4	2	Hydrothermal	90	24	23	Human	Replicate of 7*(XJ 81.1)	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.491648421	0.090780024	0.265763917	0.410032	69.44	130.43	3	186.36	1
XJ 88.06	0.3091	0.0817	0.5833	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.005019448	0.000451354	0.004999191	7.0668	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 79.4	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	1.004051966	0.090285359	0.264315755	0.710286	69.83	132.425	3	185.57	1
XJ 88.07	0.3098	0.0819	0.5762	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.004958351	0.000452459	0.005010513	5.9749	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction: XJ 79.4	116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.989589458	0.090301875	0.264364106	0.829863	69.83	132.425	3	185.57	1
XJ 88.08	0.9288	0.2436	1.6612	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016584635	0.001345775	0.015021834	5.999	8	4	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.104035318	0.0895879	0.262273902	2.764567	54.92	97.755	2.5	131.715	1
XJ 88.09	0.9275	0.243	1.5999	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015972645	0.00134246	0.015000809	6.011	8	4	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.064785605	0.089492499	0.261994609	2.657236	54.92	97.755	2.5	131.715	1
XJ 88.10	0.9277	0.2442	1.5967	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015940698	0.001349089	0.015004043	6.0416	8	4	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.062426806	0.089915048	0.263231648	2.638489	54.92	97.755	2.5	131.715	1
XJ 88.11	0.3139	0.0855	0.29	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002495525	0.000472347	0.005076824	2.0125	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.491552492	0.093039866	0.272379739	1.240013	69.44	130.43	3	186.36	1
XJ 90.01	0.3089	0.0816	0.5707	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.004997723	0.000450801	0.004995957	6.024	8	4	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.000353581	0.090233235	0.26416316	0.829635	63.41	112.41	3	146.28	1
XJ 90.02	0.3098	0.0822	0.2865	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.002508932	0.000454116	0.005010513	2.0072	8	4	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.500733653	0.090632651	0.265332473	1.249966	63.41	112.41	3	146.28	1
XJ 90.03	0.3098	0.0825	0.5758	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.004954908	0.000455773	0.005010513	6.0191	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.988902482	0.090963427	0.266300839	0.823198	69.83	132.425	3	185.57	1
XJ 90.04	0.3092	0.0817	0.5745	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.004943722	0.000451354	0.005000809	6.0495	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.988584433	0.09025616	0.264230272	0.817212	69.83	132.425	3	185.57	1
XJ 90.05	0.3133	0.082	0.284	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002443894	0.000453011	0.00506712	2.3246	8	2	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.482304334	0.089402103	0.261729971	1.051318	69.44	130.43	3	186.36	1
XJ 90.06	0.6264	0.1644	0.573	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.004930814	0.000908232	0.010131004	4.0867	8	2	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.486705319	0.089648772	0.262452107	1.206551	69.44	130.43	3	186.36	1
XJ 90.07	0.3095	0.0847	0.2188	"1,4-diaminobutane"	NCCCCN	NCCCCN	0.00248202	0.000467927	0.005005661	2.0054	8	2	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.495842659	0.093479641	0.273667205	1.237668	51.475	91.505	2	138.285	0
XJ 90.08	0.3096	0.0828	0.2506	"1,5-diaminopentane"	NCCCCCN	NCCCCCN	0.002452511	0.000457431	0.005007278	2.0265	8	2	1	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.489789209	0.091353179	0.26744186	1.21022	59.985	106.78	2.5	154.115	0
XJ 90.09	0.3092	0.0813	0.571	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.00500035	0.000449144	0.005000809	5.9868	8	4	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.999908338	0.089814269	0.262936611	0.835229	63.41	112.41	3	146.28	1
XJ 92.01	0.314	0.0858	0.2862	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002462825	0.000474004	0.005078441	2.076	8	2	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.11	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.484956965	0.093336588	0.273248408	1.186332	69.44	130.43	3	186.36	1
XJ 92.02	0.3139	0.0865	0.2865	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002465407	0.000477872	0.005076824	2.0984	8	2	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.485619962	0.094128052	0.275565467	1.174898	69.44	130.43	3	186.36	1
XJ 92.03	0.31	0.0809	0.5171	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.006975866	0.000446934	0.005013747	2.0091	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.391347674	0.08914174	0.260967742	3.472135	43.025	75.165	1.5	115.245	1
XJ 92.04	1.8584	0.4942	3.1114	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.04197391	0.002730221	0.030056607	5.9797	8	2	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.396495283	0.090835963	0.26592768	7.019401	43.025	75.165	1.5	115.245	1
XJ 92.05	0.3122	0.089	0.5565	"1,3-diaminopropane"	NCCCN	NCCCN	0.007507386	0.000491683	0.005049329	2.0379	8	4	1	Hydrothermal	90	24	23	Human	Replicate of HW 54.1 (No NaOH added while pH balancing)	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.486808695	0.097375878	0.285073671	3.683883	42.99	76.16	1.5	122.595	0
XJ 92.06	0.3128	0.0896	0.5531	"1,3-diaminopropane"	NCCCN	NCCCN	0.007461519	0.000494998	0.005059033	2.0083	8	4	1	Hydrothermal	90	24	23	Human	Replicate of HW 54.1 (No NaOH added while pH balancing)	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.474890358	0.097844303	0.286445013	3.715341	42.99	76.16	1.5	122.595	0
XJ 92.08	0.3121	0.0814	0.4381	"1,4-diaminobutane"	NCCCCN	NCCCCN	0.004969712	0.000449696	0.005047711	2.0371	8	3	1	Hydrothermal	90	24	23	Human	Replicate of HW 47.11	88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.984547577	0.08908917	0.260813842	2.439601	51.475	91.505	2	138.285	0
XJ 94.01	0.3101	0.0841	0.5217	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.007037921	0.000464613	0.005015365	2.0413	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.403272107	0.092637859	0.271202838	3.447764	43.025	75.165	1.5	115.245	1
XJ 94.02	0.3103	0.083	0.5143	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.006938093	0.000458536	0.005018599	2.6693	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.382475906	0.091367259	0.267483081	2.599218	43.025	75.165	1.5	115.245	1
XJ 94.03	0.3098	0.0829	0.517	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.006974517	0.000457983	0.005010513	2.0234	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.391976656	0.091404462	0.267591995	3.446929	43.025	75.165	1.5	115.245	1
XJ 94.04	0.6194	0.1643	1.0331	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.013936892	0.00090768	0.010017791	4.059	8	4	2	Hydrothermal	90	24	23	Human	Replicate of 2* XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.391214139	0.090606768	0.2652567	3.433578	43.025	75.165	1.5	115.245	1
XJ 94.05	0.6194	0.1638	1.0457	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.014106871	0.000904917	0.010017791	4.0703	8	4	1	Hydrothermal	90	24	23	Human	Replicate of 2* XJ 82.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.408181808	0.090331033	0.264449467	3.465806	43.025	75.165	1.5	115.245	1
XJ 94.06	0.3088	0.0847	0.5257	"1,3-diaminopropane"	NCCCN	NCCCN	0.007091883	0.000467927	0.004994339	2.0582	8	4	1	Hydrothermal	90	24	23	Human	Replicate of HW 53.3	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.419984186	0.093691544	0.274287565	3.445672	42.99	76.16	1.5	122.595	0
XJ 94.07	0.3097	0.0819	0.595	"1,3-diaminopropane"	NCCCN	NCCCN	0.008026765	0.000452459	0.005008895	2.0842	8	4	1	Hydrothermal	90	24	23	Human	Replicate of HW 54.2	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.602502009	0.090331033	0.264449467	3.851245	42.99	76.16	1.5	122.595	0
XJ 96.01	0.6181	0.1643	1.0023	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008777322	0.00090768	0.009996765	5.9526	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 72.8	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.87801625	0.090797334	0.265814593	1.474536	63.41	112.41	3	146.28	1
XJ 96.02	0.6181	0.164	1.0004	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008760684	0.000906022	0.009996765	6.0263	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 72.8	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.876351847	0.090631545	0.265329235	1.453742	63.41	112.41	3	146.28	1
XJ 96.03	0.6184	0.164	1.0019	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.00877382	0.000906022	0.010001617	2.0452	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.877240074	0.090587578	0.265200517	4.289957	63.41	112.41	3	146.28	1
XJ 96.04	0.9273	0.2446	1.5999	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015972645	0.001351299	0.014997574	5.99	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.065015258	0.090101179	0.263776556	2.666552	54.92	97.755	2.5	131.715	1
XJ 96.05	0.9273	0.2497	1.6018	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015991614	0.001379474	0.014997574	6.0072	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.066280043	0.091979821	0.269276394	2.662074	54.92	97.755	2.5	131.715	1
XJ 96.06	0.9274	0.2458	1.6013	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.015986622	0.001357929	0.014999191	5.9909	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.065832265	0.090533449	0.265042053	2.668484	54.92	97.755	2.5	131.715	1
XJ 96.07	0.9271	0.2462	1.6277	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016250187	0.001360138	0.014994339	6.0342	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.083754799	0.090710121	0.265559271	2.693014	54.92	97.755	2.5	131.715	1
XJ 96.08	0.9274	0.2459	1.6066	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016039535	0.001358481	0.014999191	5.9991	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.069359968	0.090570281	0.265149881	2.673657	54.92	97.755	2.5	131.715	1
XJ 96.09	0.9274	0.2458	1.6387	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016360006	0.001357929	0.014999191	6.0417	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.090725868	0.090533449	0.265042053	2.707848	54.92	97.755	2.5	131.715	1
XJ 96.10	0.3124	0.0904	0.56	"1,3-diaminopropane"	NCCCN	NCCCN	0.007554602	0.000499417	0.005052563	2.0579	8	4	1	Hydrothermal	90	24	23	Human	Replicate of HW 54.1	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.495201845	0.098844312	0.289372599	3.671025	42.99	76.16	1.5	122.595	0
XJ 96.11	0.3126	0.0939	0.5533	"1,3-diaminopropane"	NCCCN	NCCCN	0.007464217	0.000518753	0.005055798	2.0125	8	4	1	Hydrothermal	90	24	23	Human	Replicate of HW 54.1	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.476367645	0.102605561	0.300383877	3.708928	42.99	76.16	1.5	122.595	0
XJ 98.01	0.6185	0.1637	1.0072	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008820233	0.000904365	0.010003235	6.0003	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 72.8	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.881738045	0.090407249	0.264672595	1.469965	63.41	112.41	3	146.28	1
XJ 98.02	0.6185	0.1667	1.0051	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008801843	0.000920939	0.010003235	6.0442	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 72.8	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.879899632	0.092064071	0.26952304	1.456246	63.41	112.41	3	146.28	1
XJ 98.03	0.6188	0.1644	1.0032	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008785204	0.000908232	0.010008087	6.0617	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 72.8	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.877810529	0.090749823	0.265675501	1.449297	63.41	112.41	3	146.28	1
XJ 98.04	0.6184	0.1643	0.9996	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008753678	0.00090768	0.010001617	5.9893	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 72.8	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.875226248	0.090753287	0.26568564	1.461553	63.41	112.41	3	146.28	1
XJ 98.05	0.6186	0.1655	1.0005	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008761559	0.000914309	0.010004852	6.0141	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 72.8	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.875731042	0.091386567	0.267539606	1.456836	63.41	112.41	3	146.28	1
XJ 98.06	0.6186	0.1635	1	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008757181	0.00090326	0.010004852	5.9897	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 72.8	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.875293395	0.090282197	0.264306499	1.46204	63.41	112.41	3	146.28	1
XJ 100.01	0.3103	0.0891	0.5218	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.00703927	0.000492235	0.005018599	2.0301	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 85.3	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.402636453	0.098082202	0.287141476	3.46745	43.025	75.165	1.5	115.245	1
XJ 100.02	0.3095	0.0899	0.5197	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.007010941	0.000496655	0.005005661	2.015	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 85.4	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.400602463	0.099218651	0.290468498	3.479375	43.025	75.165	1.5	115.245	1
XJ 100.03	0.3101	0.089	0.5153	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.006951583	0.000491683	0.005015365	2.16	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 85.5	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.386057345	0.098035308	0.287004192	3.218326	43.025	75.165	1.5	115.245	1
XJ 100.04	0.3098	0.0866	0.518	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.006988007	0.000478424	0.005010513	1.0443	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.394669067	0.095484034	0.279535184	6.69157	43.025	75.165	1.5	115.245	1
XJ 100.05	0.6183	0.1638	1.0002	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.008758932	0.000904917	0.01	4.0263	8	4	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.875893232	0.090491738	0.264919942	2.17543	63.41	112.41	3	146.28	1
XJ 100.06	0.6188	0.1645	1.0008	"trans-2,5-dimethylpiperazine"	C[C@@H]1CN[C@H](CN1)C	C[C@H]1CN[C@H](C)CN1	0.008764187	0.000908785	0.010008087	2	8	4	1	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.875710503	0.090805024	0.265837104	4.382093	63.41	112.41	3	146.28	1
XJ 100.07	0.3146	0.0845	0.2823	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002429265	0.000466822	0.005088145	6.0563	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 81.1	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.477436238	0.091747084	0.268595041	0.401114	69.44	130.43	3	186.36	1
XJ 100.08	0.3143	0.0857	0.2872	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002471431	0.000473452	0.005083293	2.0162	8	4	1	Hydrothermal	90	24	23	Human	Replicate of XJ 88.11	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.486186924	0.093138817	0.272669424	1.225786	69.44	130.43	3	186.36	1
XJ 100.09	0.3136	0.085	0.2886	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002483478	0.000469585	0.005071972	2.0298	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.489647445	0.092584258	0.271045918	1.223509	69.44	130.43	3	186.36	1
XJ 102.01	0.3138	0.0841	0.2876	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002474873	0.000464613	0.005075206	5.9834	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 81.1	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.48763982	0.09154557	0.268005099	0.413623	69.44	130.43	3	186.36	1
XJ 102.02	0.3142	0.0847	0.2848	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002450778	0.000467927	0.005081676	6.016	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 81.1	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.482277526	0.092081314	0.26957352	0.407377	69.44	130.43	3	186.36	1
XJ 102.03	0.3148	0.0846	0.2825	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002430986	0.000467375	0.00509138	6.0123	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 100.7	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.477470944	0.091797302	0.268742058	0.404335	69.44	130.43	3	186.36	1
XJ 102.04	0.3146	0.0862	0.2824	"N,N-dimethyl-N'-ethylethylenediamine(dmeed)"	CCNCCN(C)C	CCNCCN(C)C	0.002430125	0.000476214	0.005088145	6.0022	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 100.7	116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.477605362	0.093592883	0.273998729	0.404872	69.44	130.43	3	186.36	1
XJ 102.05	0.9272	0.2468	1.6028	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016001597	0.001363453	0.014995957	6.0338	8	3	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.067060791	0.090921378	0.266177739	2.651993	54.92	97.755	2.5	131.715	1
XJ 102.06	0.9274	0.2452	1.6375	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016348026	0.001354614	0.014999191	5.996	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.089927143	0.090312456	0.264395083	2.726489	54.92	97.755	2.5	131.715	1
XJ 102.07	0.9274	0.2443	1.6404	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016376978	0.001349642	0.014999191	6.0484	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.091857396	0.089980967	0.263424628	2.707655	54.92	97.755	2.5	131.715	1
XJ 102.08	0.9271	0.2466	1.605	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016023561	0.001362348	0.014994339	6.0357	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.068640691	0.090857497	0.265990724	2.654797	54.92	97.755	2.5	131.715	1
XJ 102.09	0.9271	0.2444	1.6808	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.016780312	0.001350194	0.014994339	6.0559	8	4	2	Hydrothermal	90	24	23	Human	Replicate of XJ 88.3	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	1.119109827	0.090046928	0.263617733	2.770903	54.92	97.755	2.5	131.715	1
AAM85.1	0.3093	0.0834	0.1023	"2,2-dimethyl-1,3-propanediamine"	CC(C)(CN)CN	CC(C)(CN)CN	0.001001165	0.000460745	0.005002426	6.0265	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	102.181	102.181	5	2	12.59	13.01	31.49				9.88	8.14			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	2	3.36	0	76	44	6	29.31	38.59	3.5	4.08	8.14	6.35	120.49	216.26	256.91	193.47	63.44	243.39	13.52	52.04	2	2	2	4	2.41	2	0	0	0	0	0	0	0	0	0	0	0	0	0.200135814	0.092104407	0.269641125	0.166127	60.245	108.13	2.5	128.455	0
AAM85.2	0.3043	0.0829	0.0877	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.001183105	0.000457983	0.004921559	6.0075	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.240392251	0.093056531	0.272428524	0.196938	43.025	75.165	1.5	115.245	1
AAM85.3	0.3077	0.0811	0.0846	"1,3-diaminopropane"	NCCCN	NCCCN	0.001141285	0.000448039	0.004976549	6.0276	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.229332544	0.09003008	0.263568411	0.189343	42.99	76.16	1.5	122.595	0
AAM85.4	0.3088	0.0808	0.1165	"2-Methyl-1,5-pentanediamine"	CC(CN)CCCN	CC(CN)CCCN	0.001002513	0.000446382	0.004994339	6.0346	8	1	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	116.208	116.208	6	2	14.87	14.86	36.45				10.52	9.92			0	0	8	0	23	0	0	0	8	1	0	0	0	1	0	0	4	2.86	0	170	76	6	26.26	48.37	3.43	5.34	10.67	5.41	137.18	242.96	314.98	238.37	76.61	294.1	20.88	52.04	2	2	2	4	1.98	2	0	0	0	0	0	0	0	0	0	0	0	0	0.200729801	0.08937753	0.261658031	0.166127	68.59	121.48	3	157.49	0
AAM85.5	0.3057	0.0811	0.1851	"N,N-DIBUTYL-1,3-PROPANEDIAMINE"	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.00099333	0.000448039	0.004944202	6.0198	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	186.343	186.343	11	2	25.24	24.09	60.55				10.55	7.97			0	0	13	0	38	0	0	0	13	0	0	0	0	1	0	0	9	3.47	0	885	300	12	48.11	79.02	6.07	6.5	12.82	5.93	223.37	406.84	495.83	372.39	123.44	480.85	14.98	29.26	2	2	1	2	1.27E-01	1	0	1	0	0	0	0	0	0	0	0	0	0	0.20090796	0.09061909	0.265292771	0.16501	111.685	203.42	5.5	247.915	1
AAM85.6	0.3081	0.0847	0.0722	N-methylethylenediamine	CNCCN	CNCCN	0.000974004	0.000467927	0.004983018	6.0487	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	74.127	74.127	3	2	9.09	9.32	22.64				10.08	7.09			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	17.62	32.49	2.6	4.49	9	5.06	86.53	158.4	270.8	217.23	53.58	246.59	24.22	38.05	2	2	2	3	3.08	1	1	0	0	0	0	0	0	0	0	0	0	0	0.195464693	0.093904411	0.274910743	0.161027	43.265	79.2	1.5	135.4	1
AAM87.1	0.3068	0.0824	0.0663	Ethylenediamine	NCCN	NCCN	0.001103161	0.000455221	0.004961993	6.059	8	3	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	0.22232226	0.091741563	0.268578879	0.18207	34.51	60.835	1	108.375	1
AAM87.2	0.3122	0.0893	0.0723	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.000975353	0.00049334	0.005049329	6.0078	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.193164903	0.097704111	0.286034593	0.162348	43.025	75.165	1.5	115.245	1
AAM87.3	0.3038	0.0824	0.0804	"1,3-diaminopropane"	NCCCN	NCCCN	0.001084625	0.000455221	0.004913472	6.0293	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.220745115	0.092647503	0.271231073	0.179892	42.99	76.16	1.5	122.595	0
AAM87.4	0.3088	0.0825	0.0882	"1,4-diaminobutane"	NCCCCN	NCCCCN	0.001000522	0.000455773	0.004994339	6.0634	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.200331165	0.091257998	0.267163212	0.16501	51.475	91.505	2	138.285	0
AAM87.5	0.3062	0.0823	0.1002	"1,5-diaminopentane"	NCCCCCN	NCCCCCN	0.000980613	0.000454669	0.004952289	6.0017	8	1	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.198012056	0.091809776	0.268778576	0.163389	59.985	106.78	2.5	154.115	0
AAM87.6	0.3073	0.087	0.1253	"1,7-diaminoheptane"	NCCCCCCCN	NCCCCCCCN	0.000962107	0.000480634	0.004970079	6.0544	8	1	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	130.235	130.235	7	2	17.26	16.71	41.18				10.51	9.9			0	0	9	0	26	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	22.79	55.19	3.01	7.01	14.05	6.22	154	274.85	373.53	277.2	96.33	348.74	24.79	52.04	2	2	2	4	1.62	2	0	0	0	0	0	0	0	0	0	0	0	0	0.193579803	0.096705455	0.283110966	0.15891	77	137.425	3.5	186.765	0
AAM87.7	0.3097	0.0889	0.1417	"1,8-diaminooctane"	NCCCCCCCCN	NCCCCCCCCN	0.000982241	0.00049113	0.005008895	6.0058	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	144.262	144.262	8	2	19.35	18.55	45.78				10.51	9.9			0	0	10	0	29	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	21.74	61.6	2.99	7.71	15.36	5.53	170.93	305.47	406.16	302.52	103.64	381.39	24.77	52.04	2	2	2	4	1.09	2	0	0	0	0	0	0	0	0	0	0	0	0	0.196099254	0.098051634	0.287051986	0.163549	85.465	152.735	4	203.08	0
AAM87.8	0.3065	0.0836	0.0755	diethylamine	CCNCC	CCNCC	0.001032281	0.00046185	0.004957141	6.172	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	73.139	73.139	4	1	9.72	9.65	24.19				10.58				0	0	5	0	15	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	20.26	34.21	2.95	4.59	9.05	5.27	91.54	174.93	306.55	212.55	94	297.34	9.2	12.03	1	1	1	1	2.47	0	1	0	0	0	0	0	0	0	0	0	0	0	0.208241221	0.093168709	0.272756933	0.167252	91.54	174.93	4	306.55	0
AAM89.1	0.3115	0.0849	0.0859	piperazine	C1CNCCN1	C1CNCCN1	0.000997237	0.000469032	0.005038007	6.005	8	3	1	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	86.138	86.138	4	2	9.97	10.43	25.45				9.56	5.18			1	0	6	0	16	0	0	0	0	0	6	6	6	1	1	0	0	2	1	42	27	3	22.95	33.86	3.55	3.64	6.9	5.48	92.85	166.04	238.38	219.13	19.25	219.13	19.25	24.06	2	2	2	2	2.55	0	2	0	0	0	0	0	0	0	0	0	1	0	0.197942739	0.093098765	0.272552167	0.166068	46.425	83.02	2	119.19	1
AAM89.2	0.3098	0.0842	0.1058	2-methylpiperazine	CC1CNCCN1	CC1CNCCN1	0.001056257	0.000465165	0.005010513	6.0121	8	4	1	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	0.210808203	0.092837825	0.27178825	0.175689	54.92	97.755	2.5	131.715	1
AAM89.3	0.3056	0.0857	0.0121	"2,6-dimethylpiperazine"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.000105962	0.000473452	0.004942585	6.08	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.021438559	0.095790348	0.280431937	0.0174	63.44	112.4	3	145.985	1
AAM89.4	0.3072	0.0814	0.1126	"trans-2,5-dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.000986059	0.000449696	0.004968462	0.0324	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	114.192	114.192	6	2	13.95	14.12	34.29				9.75	5.41			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.19	1	115	62	7	25.44	45.21	3.3	4.74	9.36	5.83	126.82	224.82	292.56	237.72	54.84	279.43	13.13	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.198463546	0.090510189	0.264973958	30.433906	63.41	112.41	3	146.28	1
AAM89.5	0.3123	0.0844	0.1204	melamine	Nc1nc(N)nc(N)n1	Nc1nc(N)nc(N)n1	0.000954624	0.00046627	0.005050946	6.0259	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	126.123	126.123	3	6	11.47	11.18	36.46	12.62	15.72	16.95	9.56	2.84	-3.45	-7.62	0	1	3	6	15	0	0	0	3	0	6	6	6	0	0	1	0	2.08	1	159	84	9	23.02	43.64	4	4.38	8.75	3.56	102.24	158.72	265.65	173.12	92.53	54.15	211.5	116.73	6	6	3	6	-1.19E-01	3	0	3	0	3	0	0	0	0	0	0	0	0	0.188998978	0.092313399	0.270252962	0.15842	17.04	26.45333333	0.5	44.275	3
AAM89.6	0.3121	0.0836	0.1134	1-amino-4-methylpiperazine	CN1CCN(N)CC1	CN1CCN(N)CC1	0.000984546	0.00046185	0.005047711	6.0212	8	4	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	115.18	115.18	5	3	13.4	13.59	35.23				7.71	3.71	-4.28		1	0	8	0	21	0	0	0	2	0	6	6	6	1	1	0	0	2.19	1	115	62	7	26.29	44.44	3.39	4.59	8.97	5.07	122.99	218.24	282.43	239.81	42.62	228	54.43	32.5	3	3	1	2	9.27E-01	1	0	2	0	0	0	0	0	0	0	0	1	0	0.195047981	0.091496986	0.267862864	0.163513	40.99666667	72.74666667	1.666666667	94.14333333	3
AAM89.7	0.3083	0.0878	0.0998	1-methylpiperazine	CN1CCNCC1	CN1CCNCC1	0.000996356	0.000485053	0.004986253	6.0116	8	4	2	Hydrothermal	90	24	23	Human	Spilled	100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.199820604	0.097278143	0.284787545	0.165739	55.265	100.345	2.5	137.02	1
AAM89.8	0.3099	0.0945	0.1092	"1,4-dimethylpiperazine"	CN1CCN(C)CC1	CN1CCN(C)CC1	0.000956284	0.000522068	0.00501213	6.0029	8	1	2	Hydrothermal	90	24	23	Human	Seed reaction HW42.5	114.192	114.192	6	2	14.02	14.12	36.04				8.47	2.51			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	0	2.19	1	115	62	7	25.77	45.63	3.51	4.7	9.02	5.44	128.22	235.13	311.44	257.85	53.59	300.22	11.21	6.48	2	2	0	0	1.9	0	0	2	0	0	0	0	0	0	0	0	1	0	0.190793963	0.104160849	0.304937076	0.159304	64.11	117.565	3	155.72	1
AAM95.1	0.3074	0.0848	0.1045	"2,2-dmpda"	CC(C)(CN)CN	CC(C)(CN)CN	0.001022695	0.00046848	0.004971697	6.1831	8	4	1	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	12.59	13.01	31.49				9.88	8.14			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	2	3.36	0	76	44	6	29.31	38.59	3.5	4.08	8.14	6.35	120.49	216.26	256.91	193.47	63.44	243.39	13.52	52.04	2	2	2	4	2.41	2	0	0	0	0	0	0	0	0	0	0	0	0	0.205703426	0.094229366	0.275862069	0.165402	60.245	108.13	2.5	128.455	0
AAM95.2	0.3096	0.0809	0.0898	"1,3-dap"	C(CN)CN	NCCCN	0.001211434	0.000446934	0.005007278	6.03	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.241934725	0.08925691	0.26130491	0.200901	42.99	76.16	1.5	122.595	0
AAM95.3	0.3031	0.0819	0.1274	"1,5-damp"	C(CCCN)CCCN	NCCCCCCCN	0.000978232	0.000452459	0.004902151	6.0344	8	2	2	Hydrothermal	90	24	23	Human		130.235	130.235	7	2	17.26	16.71	41.18				10.51	9.9			0	0	9	0	26	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	22.79	55.19	3.01	7.01	14.05	6.22	154	274.85	373.53	277.2	96.33	348.74	24.79	52.04	2	2	2	4	1.62	2	0	0	0	0	0	0	0	0	0	0	0	0	0.199551512	0.09229799	0.270207852	0.162109	77	137.425	3.5	186.765	0
AAM95.4	0.3055	0.0806	0.1806	3-dbapa	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.00096918	0.000445277	0.004940967	6.0075	8	3	1	Hydrothermal	90	24	23	Human		186.343	186.343	11	2	25.24	24.09	60.55				10.55	7.97			0	0	13	0	38	0	0	0	13	0	0	0	0	1	0	0	9	3.47	0	885	300	12	48.11	79.02	6.07	6.5	12.82	5.93	223.37	406.84	495.83	372.39	123.44	480.85	14.98	29.26	2	2	1	2	1.27E-01	1	0	1	0	0	0	0	0	0	0	0	0	0	0.196151979	0.090119362	0.263829787	0.161328	111.685	203.42	5.5	247.915	1
AAM95.5	0.3044	0.0868	0.0623	en	C(CN)N	NCCN	0.001036606	0.000479529	0.004923176	6.44	8	3	1	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	0.210556267	0.097402332	0.285151117	0.160964	34.51	60.835	1	108.375	1
AAM95.6	0.305	0.0875	0.1064	"1,5-dap"	C(CCN)CCN	NCCCCCN	0.001041289	0.000483396	0.00493288	6.0256	8	2	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.211091568	0.097994679	0.286885246	0.172811	59.985	106.78	2.5	154.115	0
AAM95.7	0.3099	0.0886	0.0731	dea	CCNCC	CCNCC	0.000999467	0.000489473	0.00501213	6.1614	8	2	1	Hydrothermal	90	24	23	Human		73.139	73.139	4	1	9.72	9.65	24.19				10.58				0	0	5	0	15	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	20.26	34.21	2.95	4.59	9.05	5.27	91.54	174.93	306.55	212.55	94	297.34	9.2	12.03	1	1	1	1	2.47	0	1	0	0	0	0	0	0	0	0	0	0	0	0.199409585	0.097657685	0.285898677	0.162214	91.54	174.93	4	306.55	0
AAM95.8	0.3114	0.0867	0.0885	pip	C1CNCCN1	C1CNCCN1	0.001027421	0.000478976	0.00503639	6.119	8	3	2	Hydrothermal	90	24	23	Human		86.138	86.138	4	2	9.97	10.43	25.45				9.56	5.18			1	0	6	0	16	0	0	0	0	0	6	6	6	1	1	0	0	2	1	42	27	3	22.95	33.86	3.55	3.64	6.9	5.48	92.85	166.04	238.38	219.13	19.25	219.13	19.25	24.06	2	2	2	2	2.55	0	2	0	0	0	0	0	0	0	0	0	1	0	0.20399951	0.095103121	0.278420039	0.167907	46.425	83.02	2	119.19	1
AAM95.9	0.3088	0.0864	0.1138	2-mpip	CC1CNCCN1	CC1CNCCN1	0.001136125	0.000477319	0.004994339	6.0884	8	3	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.94	12.27	29.87				9.65	5.3			1	0	7	0	19	0	0	0	1	1	6	6	6	1	1	0	0	1.82	1	71	42	5	24.77	39.7	3.55	4.18	8.12	5.16	109.84	195.51	263.43	226.54	36.88	247.47	15.96	24.06	2	2	2	2	2.26	0	2	0	0	0	0	0	0	0	0	0	1	0	0.22748262	0.095572012	0.279792746	0.186605	54.92	97.755	2.5	131.715	1
AAM95.10	0.3121	0.0861	0.1587	melamine	Nc1nc(N)nc(N)n1	Nc1nc(N)nc(N)n1	0.001258295	0.000475662	0.005047711	6.6139	8	4	1	Hydrothermal	90	24	23	Human		126.123	126.123	3	6	11.47	11.18	36.46	12.62	15.72	16.95	9.56	2.84	-3.45	-7.62	0	1	3	6	15	0	0	0	3	0	6	6	6	0	0	1	0	2.08	1	159	84	9	23.02	43.64	4	4.38	8.75	3.56	102.24	158.72	265.65	173.12	92.53	54.15	211.5	116.73	6	6	3	6	-1.19E-01	3	0	3	0	3	0	0	0	0	0	0	0	0	0.249280388	0.09423314	0.275873118	0.19025	17.04	26.45333333	0.5	44.275	3
HW33.1	0.3099	0.0845	0.1939	"1,3-dap"	NCCCN	NCCCN	0.002615781	0.000466822	0.00501213	8.2418	2	1	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.521890096	0.093138537	0.272668603	0.31738	42.99	76.16	1.5	122.595	0
HW33.2	0.3106	0.0815	0.3816	"1,3-dap"	NCCCN	NCCCN	0.005147922	0.000450249	0.005023451	6.3033	2	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.024777867	0.089629389	0.262395364	0.816703	42.99	76.16	1.5	122.595	0
HW33.3	0.3097	0.0846	0.1862	"1,3-dap"	NCCCN	NCCCN	0.002511905	0.000467375	0.005008895	8.4764	4	3	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.501488864	0.093308979	0.273167582	0.296341	42.99	76.16	1.5	122.595	0
HW33.4	0.3088	0.0931	0.3734	"1,3-dap"	NCCCN	NCCCN	0.005037301	0.000514333	0.004994339	6.8428	4	3	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.008602045	0.102983268	0.301489637	0.736146	42.99	76.16	1.5	122.595	0
HW33.5	0.3104	0.0831	0.1843	"1,3-dap"	NCCCN	NCCCN	0.002486274	0.000459088	0.005020217	6.0152	6	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.495252236	0.091447869	0.267719072	0.413332	42.99	76.16	1.5	122.595	0
HW33.6	0.3096	0.0829	0.3755	"1,3-dap"	NCCCN	NCCCN	0.005065631	0.000457983	0.005007278	6.0458	6	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.011653554	0.091463509	0.267764858	0.837876	42.99	76.16	1.5	122.595	0
HW33.7	0.3098	0.0812	0.1822	"1,3-dap"	NCCCN	NCCCN	0.002457944	0.000448592	0.005010513	6.0273	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.490557344	0.089530064	0.262104584	0.407802	42.99	76.16	1.5	122.595	0
HW33.8	0.3096	0.0814	0.3889	"1,3-dap"	NCCCN	NCCCN	0.005246401	0.000449696	0.005007278	6.0599	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.047755173	0.08980856	0.262919897	0.865757	42.99	76.16	1.5	122.595	0
HW35.1	0.3089	0.0813	0.4432	"1,4-dab"	NCCCCN	NCCCCN	0.005027565	0.000449144	0.004995957	6.1082	8	3	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.006326865	0.089901495	0.263191972	0.823085	51.475	91.505	2	138.285	0
HW35.2	0.3902	0.0819	0.5895	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.0050728	0.000452459	0.006310852	6.0397	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	0.80382177	0.071695338	0.209892363	0.839909	68.455	122.045	3	170.225	0
HW35.3	0.3081	0.0849	0.5239	1-mpip	CN1CCNCC1	CN1CCNCC1	0.00523037	0.000469032	0.004983018	6.0431	8	4	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	1.049638982	0.094126145	0.275559883	0.865511	55.265	100.345	2.5	137.02	1
HW35.4	0.3088	0.082	0.4722	2-mpyz	Cc1cnccn1	Cc1cnccn1	0.005017159	0.000453011	0.004994339	6.0414	8	4	1	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.73	10.3	26.34				1.42	-1.12			0	1	1	6	13	0	0	0	1	0	6	6	6	0.2	0	1	0	1.82	1	71	42	5	18.85	35.91	3.2	4.08	8.09	4	90.4	153.3	278.39	187.25	91.15	232.53	45.86	25.78	2	2	0	0	8.73E-01	0	0	2	0	0	0	0	0	0	0	0	0	0	1.004569208	0.090704919	0.265544041	0.830463	45.2	76.65	2.5	139.195	2
HW35.5	0.3107	0.081	0.5855	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.005038379	0.000447487	0.005025069	6.1984	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	1.002648863	0.089050845	0.260701641	0.812852	69.83	132.425	3	185.57	1
HW35.6	0.3093	0.0844	0.3758	"1,2-dap"	CC(N)CN	CC(N)CN	0.005069678	0.00046627	0.005002426	6.0164	8	3	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.013443819	0.093208776	0.272874232	0.842643	43.025	75.165	1.5	115.245	1
HW35.7	0.3085	0.0813	0.5055	homopiperazine	C1CNCCNC1	C1CNCCNC1	0.005046673	0.000449144	0.004989487	6.0567	8	3	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.75	12.27	30.31				10.32	7.36			1	0	7	0	19	0	0	0	0	0	7	7	7	1	1	0	0	1.75	1	70	42	7	27.01	37.47	3.37	3.79	7.5	5.64	109.74	195.09	238.43	192.8	45.63	222.65	15.78	24.06	2	2	2	2	2.91	0	2	0	0	0	0	0	0	0	0	0	0	0	1.011461235	0.090018061	0.263533225	0.833238	54.87	97.545	2.5	119.215	1
HW35.8	0.3099	0.0828	0.5711	"2,6-dmpip"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.005001226	0.000457431	0.00501213	6.0332	8	2	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.997824472	0.091264744	0.267182962	0.828951	63.44	112.4	3	145.985	1
HW35.9	0.3089	0.0845	0.4461	dmed	CNCCNC	CNCCNC	0.005060462	0.000466822	0.004995957	6.1142	8	1	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	1.012911585	0.093440054	0.273551311	0.827657	51.995	97.555	2	162.93	1
HW35.10	0.312	0.0848	0.5848	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.005032356	0.00046848	0.005046094	6.0007	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.997277428	0.092840087	0.271794872	0.838628	69.44	130.43	3	186.36	1
HW35.11	0.3092	0.0835	1.0056	bapp	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.005019717	0.000461298	0.005000809	6.0972	8	4	1	Hydrothermal	90	24	23	Human		200.33	200.33	10	4	25.33	24.55	61.67				10.18	9.58	7.26	1.46	1	0	14	0	38	0	0	0	8	0	6	6	6	1	1	0	6	2.05	1	1200	367	15	28.19	76.51	3.51	8.43	16.96	6.17	220.05	386.39	447.79	361.16	86.62	415.91	31.88	58.52	4	4	2	4	3.06	2	0	2	0	0	0	0	0	0	0	0	1	0	1.003781148	0.092244667	0.270051746	0.823282	55.0125	96.5975	2.5	111.9475	2
HW35.12	0.3095	0.0838	0.7323	teta	NCCNCCNCCN	NCCNCCNCCN	0.00500759	0.000462955	0.005005661	6.0811	8	3	1	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	18.04	17.9	43.32				9.77	9.16	6.8	4.05	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	26.29	56.93	3.13	7.1	14.28	5.69	161.8	286.22	390.4	349.78	40.62	349.78	40.62	76.1	4	4	4	6	3.13	2	2	0	0	0	0	0	0	0	0	0	0	0	1.0003855	0.092486351	0.270759289	0.823468	40.45	71.555	1.5	97.6	2
HW35.13	0.3099	0.0933	0.729	hmta	C1N2CN3CN1CN(C2)C3	C1N2CN3CN1CN(C2)C3	0.005200086	0.000515438	0.00501213	6.0524	8	1	2	Hydrothermal	90	24	23	Human		140.19	140.19	6	4	14.25	15.7	37				5.88	4.02	2.29	0.56	3	0	10	0	24	0	0	0	0	0	10	6	6	1	3	0	0	1.9	3	168	96	12	32.63	36.52	3.67	3.67	6.84	7.24	132.65	219.37	232.06	212.64	19.42	212.64	19.42	12.96	4	4	0	0	1.66	0	0	4	0	0	0	0	0	0	0	0	0	0	1.037500137	0.102838172	0.30106486	0.859177	33.1625	54.8425	1.5	58.015	4
HW37.1	0.3105	0.1031	0.2713	"1,4-dab"	NCCCCN	NCCCCN	0.003077569	0.000569579	0.005021834	6.0779	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.612837613	0.113420443	0.332045089	0.506354	51.475	91.505	2	138.285	0
HW37.2	3.3086	0.0853	0.2891	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.002487781	0.000471242	0.05351124	7.5716	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	0.046490803	0.008806413	0.025781297	0.328567	68.455	122.045	3	170.225	0
HW37.3	0.3126	0.0902	0.2475	1-mpip	CN1CCNCC1	CN1CCNCC1	0.002470923	0.000498312	0.005055798	6.0325	8	1	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.488730543	0.09856253	0.288547665	0.409602	55.265	100.345	2.5	137.02	1
HW37.4	0.3132	0.0807	0.233	2-mpyz	Cc1cnccn1	Cc1cnccn1	0.002475642	0.000445829	0.005065502	6.0298	8	3	2	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.73	10.3	26.34				1.42	-1.12			0	1	1	6	13	0	0	0	1	0	6	6	6	0.2	0	1	0	1.82	1	71	42	5	18.85	35.91	3.2	4.08	8.09	4	90.4	153.3	278.39	187.25	91.15	232.53	45.86	25.78	2	2	0	0	8.73E-01	0	0	2	0	0	0	0	0	0	0	0	0	0	0.488725882	0.088012845	0.257662835	0.410568	45.2	76.65	2.5	139.195	2
HW37.5	0.3077	0.0863	0.2893	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.002489502	0.000476767	0.004976549	6.0455	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.500246613	0.095802662	0.280467988	0.411794	69.83	132.425	3	185.57	1
HW37.6	0.3087	0.1039	0.183	"1,2-dap"	CC(N)CN	CC(N)CN	0.002468736	0.000573998	0.004992722	6.0367	8	3	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.494466966	0.114966999	0.336572724	0.408955	43.025	75.165	1.5	115.245	1
HW37.7	0.3114	0.0839	0.254	homopiperazine	C1CNCCNC1	C1CNCCNC1	0.002535816	0.000463508	0.00503639	6.0679	8	4	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.75	12.27	30.31				10.32	7.36			1	0	7	0	19	0	0	0	0	0	7	7	7	1	1	0	0	1.75	1	70	42	7	27.01	37.47	3.37	3.79	7.5	5.64	109.74	195.09	238.43	192.8	45.63	222.65	15.78	24.06	2	2	2	2	2.91	0	2	0	0	0	0	0	0	0	0	0	0	0	0.503498707	0.09203174	0.269428388	0.417907	54.87	97.545	2.5	119.215	1
HW37.8	0.3128	0.0857	0.2846	"2,6-dmpip"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.002492294	0.000473452	0.005059033	6.0914	8	3	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.492642322	0.093585455	0.273976982	0.40915	63.44	112.4	3	145.985	1
HW37.9	0.3127	0.0828	0.2325	dmed	CNCCNC	CNCCNC	0.00263743	0.000457431	0.005057415	6.2231	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.521497582	0.090447535	0.264790534	0.423813	51.995	97.555	2	162.93	1
HW37.10	0.3132	0.0833	0.2895	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.002491223	0.000460193	0.005065502	6.0606	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.49180171	0.090848451	0.26596424	0.411052	69.44	130.43	3	186.36	1
HW37.11	0.3087	0.0953	0.5033	bapp	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.002512355	0.000526487	0.004992722	6.0561	8	4	2	Hydrothermal	90	24	23	Human		200.33	200.33	10	4	25.33	24.55	61.67				10.18	9.58	7.26	1.46	1	0	14	0	38	0	0	0	8	0	6	6	6	1	1	0	6	2.05	1	1200	367	15	28.19	76.51	3.51	8.43	16.96	6.17	220.05	386.39	447.79	361.16	86.62	415.91	31.88	58.52	4	4	2	4	3.06	2	0	2	0	0	0	0	0	0	0	0	1	0	0.503203388	0.105450963	0.308713962	0.414847	55.0125	96.5975	2.5	111.9475	2
HW37.12	0.3087	0.081	0.3672	teta	NCCNCCNCCN	NCCNCCNCCN	0.002510975	0.000447487	0.004992722	10.4968	8	3	2	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	18.04	17.9	43.32				9.77	9.16	6.8	4.05	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	26.29	56.93	3.13	7.1	14.28	5.69	161.8	286.22	390.4	349.78	40.62	349.78	40.62	76.1	4	4	4	6	3.13	2	2	0	0	0	0	0	0	0	0	0	0	0	0.502927115	0.089627786	0.262390671	0.239213	40.45	71.555	1.5	97.6	2
HW37.13	0.3099	0.0802	0.3791	hmta	C1N2CN3CN1CN(C2)C3	C1N2CN3CN1CN(C2)C3	0.002704187	0.000443067	0.00501213	6.0082	8	4	2	Hydrothermal	90	24	23	Human		140.19	140.19	6	4	14.25	15.7	37				5.88	4.02	2.29	0.56	3	0	10	0	24	0	0	0	0	0	10	6	6	1	3	0	0	1.9	3	168	96	12	32.63	36.52	3.67	3.67	6.84	7.24	132.65	219.37	232.06	212.64	19.42	212.64	19.42	12.96	4	4	0	0	1.66	0	0	4	0	0	0	0	0	0	0	0	0	0	0.539528535	0.088398943	0.258793159	0.450083	33.1625	54.8425	1.5	58.015	4
HW39.1	0.3115	0.0822	0.1152	"1,4-dab"	NCCCCN	NCCCCN	0.001306804	0.000454116	0.005038007	8.7375	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.259389058	0.090138027	0.26388443	0.149563	51.475	91.505	2	138.285	0
HW39.2	0.3066	0.0957	0.1459	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.001255507	0.000528697	0.004958758	6.6027	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	0.253189891	0.106618868	0.312133072	0.190151	68.455	122.045	3	170.225	0
HW39.3	0.3065	0.0804	0.6072	1-mpip	CN1CCNCC1	CN1CCNCC1	0.006061998	0.000444172	0.004957141	6.3861	8	1	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	1.222881951	0.089602443	0.262316476	0.949249	55.265	100.345	2.5	137.02	1
HW39.4	0.3063	0.0806	0.1208	2-mpyz	Cc1cnccn1	Cc1cnccn1	0.001283509	0.000445277	0.004953906	6.2188	8	1	2	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.73	10.3	26.34				1.42	-1.12			0	1	1	6	13	0	0	0	1	0	6	6	6	0.2	0	1	0	1.82	1	71	42	5	18.85	35.91	3.2	4.08	8.09	4	90.4	153.3	278.39	187.25	91.15	232.53	45.86	25.78	2	2	0	0	8.73E-01	0	0	2	0	0	0	0	0	0	0	0	0	0	0.259090273	0.089883986	0.263140712	0.206392	45.2	76.65	2.5	139.195	2
HW39.5	0.3055	0.0804	0.1424	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001225389	0.000444172	0.004940967	6.1727	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.24800589	0.08989574	0.263175123	0.198517	69.83	132.425	3	185.57	1
HW39.6	0.3136	0.0825	0.0975	"1,2-dap"	CC(N)CN	CC(N)CN	0.00131531	0.000455773	0.005071972	6.0927	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.259329178	0.089861192	0.26307398	0.215883	43.025	75.165	1.5	115.245	1
HW39.7	0.3065	0.0804	0.1245	homopiperazine	C1CNCCNC1	C1CNCCNC1	0.001242949	0.000444172	0.004957141	6.3276	8	4	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.75	12.27	30.31				10.32	7.36			1	0	7	0	19	0	0	0	0	0	7	7	7	1	1	0	0	1.75	1	70	42	7	27.01	37.47	3.37	3.79	7.5	5.64	109.74	195.09	238.43	192.8	45.63	222.65	15.78	24.06	2	2	2	2	2.91	0	2	0	0	0	0	0	0	0	0	0	0	0	0.250739135	0.089602443	0.262316476	0.196433	54.87	97.545	2.5	119.215	1
HW39.8	0.3072	0.0823	0.1437	"2,6-dmpip"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.001258407	0.000454669	0.004968462	6.1071	8	3	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.253278966	0.091510916	0.267903646	0.206056	63.44	112.4	3	145.985	1
HW39.9	0.3085	0.0887	0.1183	dmed	CNCCNC	CNCCNC	0.00134197	0.000490025	0.004989487	6.5225	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.268959445	0.098211587	0.287520259	0.205745	51.995	97.555	2	162.93	1
HW39.10	0.309	0.0821	0.0925	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.000795987	0.000453564	0.004997574	6.2741	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.159274582	0.090756754	0.265695793	0.126869	69.44	130.43	3	186.36	1
HW39.11	0.3113	0.0878	0.2558	bapp	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.001276893	0.000485053	0.005034773	6.4754	8	4	1	Hydrothermal	90	24	23	Human		200.33	200.33	10	4	25.33	24.55	61.67				10.18	9.58	7.26	1.46	1	0	14	0	38	0	0	0	8	0	6	6	6	1	1	0	6	2.05	1	1200	367	15	28.19	76.51	3.51	8.43	16.96	6.17	220.05	386.39	447.79	361.16	86.62	415.91	31.88	58.52	4	4	2	4	3.06	2	0	2	0	0	0	0	0	0	0	0	1	0	0.253614847	0.096340673	0.282043045	0.197191	55.0125	96.5975	2.5	111.9475	2
HW39.12	0.3104	0.0812	0.8973	teta	NCCNCCNCCN	NCCNCCNCCN	0.006135888	0.000448592	0.005020217	7.9105	8	3	2	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	18.04	17.9	43.32				9.77	9.16	6.8	4.05	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	26.29	56.93	3.13	7.1	14.28	5.69	161.8	286.22	390.4	349.78	40.62	349.78	40.62	76.1	4	4	4	6	3.13	2	2	0	0	0	0	0	0	0	0	0	0	0	1.222235694	0.089357003	0.261597938	0.775664	40.45	71.555	1.5	97.6	2
HW39.13	0.3125	0.084	0.2058	hmta	C1N2CN3CN1CN(C2)C3	C1N2CN3CN1CN(C2)C3	0.001468008	0.00046406	0.005054181	7.1562	8	1	2	Hydrothermal	90	24	23	Human		140.19	140.19	6	4	14.25	15.7	37				5.88	4.02	2.29	0.56	3	0	10	0	24	0	0	0	0	0	10	6	6	1	3	0	0	1.9	3	168	96	12	32.63	36.52	3.67	3.67	6.84	7.24	132.65	219.37	232.06	212.64	19.42	212.64	19.42	12.96	4	4	0	0	1.66	0	0	4	0	0	0	0	0	0	0	0	0	0	0.290454132	0.091817094	0.2688	0.205138	33.1625	54.8425	1.5	58.015	4
HW39.16	0.3149	0.0807	0.0885	dmed	CNCCNC	CNCCNC	0.001003925	0.000445829	0.005092997	6.2883	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.197118703	0.087537704	0.256271832	0.15965	51.995	97.555	2	162.93	1
HW39.17	0.3071	0.0842	0.1757	dmed	CNCCNC	CNCCNC	0.001993103	0.000465165	0.004966845	6.1925	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.401281528	0.093654048	0.274177792	0.321858	51.995	97.555	2	162.93	1
HW39.18	0.3109	0.0913	0.2631	dmed	CNCCNC	CNCCNC	0.00298455	0.000504389	0.005028303	7.629	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.593550055	0.100310024	0.293663557	0.391211	51.995	97.555	2	162.93	1
HW39.19	0.3089	0.082	0.351	dmed	CNCCNC	CNCCNC	0.003981668	0.000453011	0.004995957	6.0723	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.79697818	0.090675555	0.265458077	0.65571	51.995	97.555	2	162.93	1
HW39.20	0.3088	0.0808	0.133	2-mpyz	Cc1cnccn1	Cc1cnccn1	0.001413135	0.000446382	0.004994339	6.4335	8	1	2	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.73	10.3	26.34				1.42	-1.12			0	1	1	6	13	0	0	0	1	0	6	6	6	0.2	0	1	0	1.82	1	71	42	5	18.85	35.91	3.2	4.08	8.09	4	90.4	153.3	278.39	187.25	91.15	232.53	45.86	25.78	2	2	0	0	8.73E-01	0	0	2	0	0	0	0	0	0	0	0	0	0	0.282947278	0.08937753	0.261658031	0.219653	45.2	76.65	2.5	139.195	2
HW42.1	0.3079	0.0839	0.1158	"2,6-dmpip"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.001014082	0.000463508	0.004979783	6.1339	8	2	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.203639695	0.093077895	0.272491069	0.165324	63.44	112.4	3	145.985	1
HW42.2	0.3082	0.0811	0.2254	"2,6-dmpip"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.001973869	0.000448039	0.004984635	6.0568	8	2	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.39599057	0.089884022	0.263140818	0.325893	63.44	112.4	3	145.985	1
HW42.3	0.3086	0.0824	0.3415	"2,6-dmpip"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.002990577	0.000455221	0.004991105	6.0895	8	2	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.599181441	0.091206454	0.267012314	0.491104	63.44	112.4	3	145.985	1
HW42.4	0.3087	0.082	0.4687	"2,6-dmpip"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.004104491	0.000453011	0.004992722	9.1061	8	4	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.822094781	0.090734302	0.265630062	0.450741	63.44	112.4	3	145.985	1
HW42.5	0.3104	0.0827	0.1128	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000970673	0.000456878	0.005020217	6.0362	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.193352863	0.091007687	0.266430412	0.160809	69.83	132.425	3	185.57	1
HW42.6	0.3074	0.0809	0.2379	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.002047191	0.000446934	0.004971697	6.0507	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.411769143	0.089895704	0.263175016	0.33834	69.83	132.425	3	185.57	1
HW42.7	0.3064	0.0825	0.3481	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.002995491	0.000455773	0.004955523	6.3355	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.604475192	0.091972812	0.269255875	0.47281	69.83	132.425	3	185.57	1
HW42.8	0.307	0.0839	0.46	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.003958419	0.000463508	0.004965227	6.1318	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.797228243	0.093350761	0.273289902	0.645556	69.83	132.425	3	185.57	1
HW42.9	0.3079	0.089	0.1	homopiperazine	C1CNCCNC1	C1CNCCNC1	0.000998353	0.000491683	0.004979783	6.2649	8	4	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.75	12.27	30.31				10.32	7.36			1	0	7	0	19	0	0	0	0	0	7	7	7	1	1	0	0	1.75	1	70	42	7	27.01	37.47	3.37	3.79	7.5	5.64	109.74	195.09	238.43	192.8	45.63	222.65	15.78	24.06	2	2	2	2	2.91	0	2	0	0	0	0	0	0	0	0	0	0	0	0.200481158	0.098735788	0.289054888	0.159357	54.87	97.545	2.5	119.215	1
HW42.10	0.3101	0.0873	0.2086	homopiperazine	C1CNCCNC1	C1CNCCNC1	0.002082564	0.000482291	0.005015365	7.3826	8	4	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.75	12.27	30.31				10.32	7.36			1	0	7	0	19	0	0	0	0	0	7	7	7	1	1	0	0	1.75	1	70	42	7	27.01	37.47	3.37	3.79	7.5	5.64	109.74	195.09	238.43	192.8	45.63	222.65	15.78	24.06	2	2	2	2	2.91	0	2	0	0	0	0	0	0	0	0	0	0	0	0.415236756	0.096162724	0.28152209	0.282091	54.87	97.545	2.5	119.215	1
HW42.11	0.3114	0.851	0.3016	homopiperazine	C1CNCCNC1	C1CNCCNC1	0.003011032	0.004701372	0.00503639	7.3923	8	2	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.75	12.27	30.31				10.32	7.36			1	0	7	0	19	0	0	0	0	0	7	7	7	1	1	0	0	1.75	1	70	42	7	27.01	37.47	3.37	3.79	7.5	5.64	109.74	195.09	238.43	192.8	45.63	222.65	15.78	24.06	2	2	2	2	2.91	0	2	0	0	0	0	0	0	0	0	0	0	0	0.597855157	0.933480458	2.732819525	0.40732	54.87	97.545	2.5	119.215	1
HW42.12	0.3067	0.0829	0.4007	homopiperazine	C1CNCCNC1	C1CNCCNC1	0.004000399	0.000457983	0.004960375	6.3965	8	2	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.75	12.27	30.31				10.32	7.36			1	0	7	0	19	0	0	0	0	0	7	7	7	1	1	0	0	1.75	1	70	42	7	27.01	37.47	3.37	3.79	7.5	5.64	109.74	195.09	238.43	192.8	45.63	222.65	15.78	24.06	2	2	2	2	2.91	0	2	0	0	0	0	0	0	0	0	0	0	0	0.806471116	0.092328341	0.270296707	0.625404	54.87	97.545	2.5	119.215	1
HW42.13	0.3069	0.0829	0.0736	"1,2-dap"	CC(N)CN	CC(N)CN	0.000992891	0.000457983	0.00496361	6.7571	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.200033967	0.092268173	0.27012056	0.14694	43.025	75.165	1.5	115.245	1
HW42.14	0.3066	0.0806	0.1525	"1,2-dap"	CC(N)CN	CC(N)CN	0.00205728	0.000445277	0.004958758	7.6459	8	2	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.414878105	0.089796037	0.262883235	0.26907	43.025	75.165	1.5	115.245	1
HW42.15	0.3107	0.0813	0.2254	"1,2-dap"	CC(N)CN	CC(N)CN	0.003040727	0.000449144	0.005025069	6.0249	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.605111603	0.089380663	0.261667203	0.504693	43.025	75.165	1.5	115.245	1
HW44.1	0.3098	0.0827	0.0472	"1,4-dab"	NCCCCN	NCCCCN	0.000535427	0.000456878	0.005010513	2.0388	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.106860649	0.091183944	0.266946417	0.262619	51.475	91.505	2	138.285	0
HW44.2	0.3062	0.0809	0.3555	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003549144	0.000446934	0.004952289	2.0396	8	4	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.716667433	0.090248006	0.264206401	1.740118	55.265	100.345	2.5	137.02	1
HW44.3	0.3098	0.0817	0.325	2-mpyz	Cc1cnccn1	Cc1cnccn1	0.003453149	0.000451354	0.005010513	2.1026	8	4	1	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.73	10.3	26.34				1.42	-1.12			0	1	1	6	13	0	0	0	1	0	6	6	6	0.2	0	1	0	1.82	1	71	42	5	18.85	35.91	3.2	4.08	8.09	4	90.4	153.3	278.39	187.25	91.15	232.53	45.86	25.78	2	2	0	0	8.73E-01	0	0	2	0	0	0	0	0	0	0	0	0	0	0.689180719	0.090081357	0.263718528	1.642323	45.2	76.65	2.5	139.195	2
HW44.4	0.3065	0.0839	0.0329	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000283113	0.000463508	0.004957141	2.0092	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.057112167	0.093503046	0.273735726	0.140908	69.83	132.425	3	185.57	1
HW44.5	0.3069	0.0892	0.0363	"1,2-dap"	CC(N)CN	CC(N)CN	0.0004897	0.000492788	0.00496361	2.1528	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	0.098658057	0.099280109	0.29064842	0.227471	43.025	75.165	1.5	115.245	1
HW44.7	0.3114	0.0837	0.0594	"2,6-dmpip"	CC1CNCC(C)N1	CC1CNCC(C)N1	0.000520177	0.000462403	0.00503639	2.0096	8	2	2	Hydrothermal	90	24	23	Human		114.192	114.192	6	2	13.92	14.12	34.29				9.76	5.43			1	0	8	0	22	0	0	0	2	2	6	6	6	1	1	0	0	2.23	1	110	61	7	27.7	44.95	3.76	4.57	9.13	5.53	126.88	224.8	291.97	238.46	53.51	278.67	13.31	24.06	2	2	2	2	1.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.103283609	0.091812355	0.268786127	0.258846	63.44	112.4	3	145.985	1
HW44.8	0.308	0.0803	0.5176	hmta	C1N2CN3CN1CN(C2)C3	C1N2CN3CN1CN(C2)C3	0.003692132	0.000443619	0.004981401	2.0799	8	3	2	Hydrothermal	90	24	23	Human		140.19	140.19	6	4	14.25	15.7	37				5.88	4.02	2.29	0.56	3	0	10	0	24	0	0	0	0	0	10	6	6	1	3	0	0	1.9	3	168	96	12	32.63	36.52	3.67	3.67	6.84	7.24	132.65	219.37	232.06	212.64	19.42	212.64	19.42	12.96	4	4	0	0	1.66	0	0	4	0	0	0	0	0	0	0	0	0	0	0.741183533	0.089055164	0.260714286	1.775149	33.1625	54.8425	1.5	58.015	4
HW44.9	0.3108	0.0854	0.1114	bapp	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.000556082	0.000471795	0.005026686	2.0146	8	4	1	Hydrothermal	90	24	23	Human		200.33	200.33	10	4	25.33	24.55	61.67				10.18	9.58	7.26	1.46	1	0	14	0	38	0	0	0	8	0	6	6	6	1	1	0	6	2.05	1	1200	367	15	28.19	76.51	3.51	8.43	16.96	6.17	220.05	386.39	447.79	361.16	86.62	415.91	31.88	58.52	4	4	2	4	3.06	2	0	2	0	0	0	0	0	0	0	0	1	0	0.110626058	0.093857966	0.274774775	0.276026	55.0125	96.5975	2.5	111.9475	2
HW44.10	0.3107	0.0823	0.0744	teta	NCCNCCNCCN	NCCNCCNCCN	0.00050876	0.000454669	0.005025069	6.1502	8	2	2	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	18.04	17.9	43.32				9.77	9.16	6.8	4.05	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	26.29	56.93	3.13	7.1	14.28	5.69	161.8	286.22	390.4	349.78	40.62	349.78	40.62	76.1	4	4	4	6	3.13	2	2	0	0	0	0	0	0	0	0	0	0	0	0.101244325	0.090480056	0.264885742	0.0827	40.45	71.555	1.5	97.6	2
HW44.11	0.3079	0.0826	0.0417	dmed	CNCCNC	CNCCNC	0.000473036	0.000456326	0.004979783	6.0358	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.094991247	0.091635686	0.268268918	0.0784	51.995	97.555	2	162.93	1
HW44.14	0.3098	0.0825	0.198	aep	NCCN1CCNCC1	NCCN1CCNCC1	0.001532425	0.000455773	0.005010513	6.0389	8	1	2	Hydrothermal	90	24	23	Human		129.207	129.207	6	3	15.42	15.64	38.69				9.61	8.97	2.31		1	0	9	0	24	0	0	0	3	0	6	6	6	1	1	0	2	1.85	1	203	94	8	28.28	48.66	3.33	5.31	10.49	5.69	139.55	245.37	303.98	279.23	24.74	279.23	24.74	41.29	3	3	2	3	3.15	1	1	1	0	0	0	0	0	0	0	0	1	0	0.305841898	0.090963427	0.266300839	0.253759	46.51666667	81.79	2	101.3266667	1
HW44.15	0.3086	0.0938	0.4535	aep	NCCN1CCNCC1	NCCN1CCNCC1	0.003509872	0.000518201	0.004991105	6.0115	8	1	2	Hydrothermal	90	24	23	Human		129.207	129.207	6	3	15.42	15.64	38.69				9.61	8.97	2.31		1	0	9	0	24	0	0	0	3	0	6	6	6	1	1	0	2	1.85	1	203	94	8	28.28	48.66	3.33	5.31	10.49	5.69	139.55	245.37	303.98	279.23	24.74	279.23	24.74	41.29	3	3	2	3	3.15	1	1	1	0	0	0	0	0	0	0	0	1	0	0.70322544	0.103824822	0.303953338	0.58386	46.51666667	81.79	2	101.3266667	1
HW46.1	0.3094	0.0832	0.2915	"1,3-dap"	NCCCN	NCCCN	0.00393244	0.000459641	0.005004043	2.0191	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.78585256	0.091853836	0.268907563	1.94762	42.99	76.16	1.5	122.595	0
HW46.2	0.3071	0.088	0.3022	"1,3-dap"	NCCCN	NCCCN	0.004076787	0.000486158	0.004966845	4.0308	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.820800223	0.097880715	0.286551612	1.011409	42.99	76.16	1.5	122.595	0
HW46.3	0.3086	0.0851	0.2938	"1,3-dap"	NCCCN	NCCCN	0.003963468	0.000470137	0.004991105	6.0972	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	0.794106393	0.094195014	0.275761504	0.650047	42.99	76.16	1.5	122.595	0
HW46.4	0.3096	0.0805	0.3743	"1,3-dap"	NCCCN	NCCCN	0.005049442	0.000444724	0.005007278	2.0364	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.008420574	0.08881559	0.26001292	2.479593	42.99	76.16	1.5	122.595	0
HW46.5	0.3105	0.082	0.3729	"1,3-dap"	NCCCN	NCCCN	0.005030556	0.000453011	0.005021834	4.0059	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.001736737	0.090208306	0.264090177	1.255787	42.99	76.16	1.5	122.595	0
HW46.6	0.3096	0.0855	0.3822	"1,3-dap"	NCCCN	NCCCN	0.005156016	0.000472347	0.005007278	6.0518	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.029704363	0.094332087	0.276162791	0.851981	42.99	76.16	1.5	122.595	0
HW46.7	0.3103	0.0826	0.4517	"1,3-dap"	NCCCN	NCCCN	0.006093596	0.000456326	0.005018599	2.0458	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.214202541	0.090926935	0.266194006	2.978588	42.99	76.16	1.5	122.595	0
HW46.8	0.3104	0.0848	0.4475	"1,3-dap"	NCCCN	NCCCN	0.006036937	0.00046848	0.005020217	4.0514	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.202525098	0.093318644	0.273195876	1.490087	42.99	76.16	1.5	122.595	0
HW46.9	0.3074	0.085	0.4474	"1,3-dap"	NCCCN	NCCCN	0.006035588	0.000469585	0.004971697	6.0091	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.213989524	0.094451605	0.276512687	1.004408	42.99	76.16	1.5	122.595	0
HW47.1	0.3105	0.0811	0.1623	en	NCCN	NCCN	0.002700499	0.000448039	0.005021834	2.0579	8	4	1	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	0.537751573	0.089218215	0.261191626	1.31226	34.51	60.835	1	108.375	1
HW47.2	0.309	0.0807	0.1658	en	NCCN	NCCN	0.002758735	0.000445829	0.004997574	4.0068	8	2	2	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	0.552014927	0.089209136	0.261165049	0.688513	34.51	60.835	1	108.375	1
HW47.3	0.3103	0.0823	0.2364	en	NCCN	NCCN	0.003933444	0.000454669	0.005018599	2.0227	8	2	2	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	0.783773312	0.090596692	0.265227199	1.94465	34.51	60.835	1	108.375	1
HW47.4	0.3084	0.099	0.2441	en	NCCN	NCCN	0.004061564	0.000546928	0.00498787	4.0467	8	2	2	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	0.814288281	0.109651633	0.321011673	1.003673	34.51	60.835	1	108.375	1
HW47.5	0.3081	0.0807	0.3011	en	NCCN	NCCN	0.005009983	0.000445829	0.004983018	2.0131	8	4	1	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	1.005411461	0.089469728	0.261927945	2.488691	34.51	60.835	1	108.375	1
HW47.6	0.3077	0.0849	0.2995	en	NCCN	NCCN	0.004983361	0.000469032	0.004976549	4.019	8	2	1	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	1.001368913	0.094248506	0.275918102	1.239951	34.51	60.835	1	108.375	1
HW47.7	0.308	0.0826	0.2353	"1,4-dab"	NCCCCN	NCCCCN	0.002669193	0.000456326	0.004981401	2.5345	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.535831738	0.091605935	0.268181818	1.053144	51.475	91.505	2	138.285	0
HW47.8	0.3107	0.0804	0.2354	"1,4-dab"	NCCCCN	NCCCCN	0.002670327	0.000444172	0.005025069	4.0182	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.531401075	0.088391209	0.258770518	0.664558	51.475	91.505	2	138.285	0
HW47.9	0.3095	0.0856	0.3527	"1,4-dab"	NCCCCN	NCCCCN	0.004000953	0.000472899	0.005005661	2.0095	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.799285675	0.094472931	0.276575121	1.991019	51.475	91.505	2	138.285	0
HW47.10	0.3071	0.0837	0.3497	"1,4-dab"	NCCCCN	NCCCCN	0.003966922	0.000462403	0.004966845	4.0017	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.798680423	0.093097908	0.272549658	0.991309	51.475	91.505	2	138.285	0
HW47.11	0.3125	0.0807	0.4402	"1,4-dab"	NCCCCN	NCCCCN	0.004993534	0.000445829	0.005054181	1.9995	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.988000672	0.088209994	0.25824	2.497391	51.475	91.505	2	138.285	0
HW47.12	0.3109	0.0846	0.4471	"1,4-dab"	NCCCCN	NCCCCN	0.005071806	0.000467375	0.005028303	4.0838	8	2	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.008651575	0.092948828	0.27211322	1.241933	51.475	91.505	2	138.285	0
HW47.13	0.3105	0.0817	0.2544	"1,5-dap"	NCCCCCN	NCCCCCN	0.0024897	0.000451354	0.005021834	4.7101	8	1	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.495774974	0.089878275	0.263123994	0.528587	59.985	106.78	2.5	154.115	0
HW47.14	0.3093	0.0806	0.2634	"1,5-dap"	NCCCCCN	NCCCCCN	0.002577779	0.000445277	0.005002426	2.0089	8	4	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.515305703	0.089012172	0.260588425	1.283179	59.985	106.78	2.5	154.115	0
HW47.15	0.3061	0.0802	0.2919	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.002511875	0.000443067	0.004950671	2.0002	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	0.507380749	0.089496349	0.26200588	1.255812	68.455	122.045	3	170.225	0
HW47.16	0.3058	0.0818	0.3014	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.002593625	0.000451906	0.004945819	4.023	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	0.524407611	0.091371363	0.267495095	0.644699	68.455	122.045	3	170.225	0
HW47.17	0.3086	0.0832	0.4676	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.004023819	0.000459641	0.004991105	2.0106	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	0.806198156	0.092091953	0.269604666	2.001303	68.455	122.045	3	170.225	0
HW47.18	0.3082	0.0807	0.4692	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.004037588	0.000445829	0.004984635	4.0432	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	0.810006658	0.089440698	0.261842959	0.998612	68.455	122.045	3	170.225	0
HW47.19	0.3085	0.0807	0.5903	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.005079685	0.000445829	0.004989487	2.0008	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	1.018077489	0.089353722	0.261588331	2.538827	68.455	122.045	3	170.225	0
HW47.20	0.3088	0.0871	0.5888	"1,6-dah"	NCCCCCCN	NCCCCCCN	0.005066777	0.000481186	0.004994339	4.0644	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.18	14.86	36.58				10.51	9.9			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	23.36	49.73	3.03	6.43	12.73	5.36	136.91	244.09	340.45	251.46	89	315.7	24.76	52.04	2	2	2	4	2.16	2	0	0	0	0	0	0	0	0	0	0	0	0	1.01450392	0.096346322	0.282059585	1.246624	68.455	122.045	3	170.225	0
HW50.1	0.3091	0.0801	0.4465	"1,3-dap"	NCCCN	NCCCN	0.006023446	0.000442515	0.004999191	1.0498	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.20488412	0.088517225	0.259139437	5.737708	42.99	76.16	1.5	122.595	0
HW50.2	0.3079	0.0808	0.5224	"1,3-dap"	NCCCN	NCCCN	0.007047365	0.000446382	0.004979783	2.0239	8	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.415195053	0.089638783	0.262422865	3.482072	42.99	76.16	1.5	122.595	0
HW51.1	0.3062	0.0825	0.446	"1,3-dap"	NCCCN	NCCCN	0.006016701	0.000455773	0.004952289	2.0945	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.214933465	0.092032886	0.269431744	2.872619	42.99	76.16	1.5	122.595	0
HW51.2	0.3087	0.0845	0.4412	"1,3-dap"	NCCCN	NCCCN	0.005951947	0.000466822	0.004992722	2.0208	8	1	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.192124728	0.093500592	0.273728539	2.945342	42.99	76.16	1.5	122.595	0
HW51.3	0.3078	0.0819	0.4455	"1,3-dap"	NCCCN	NCCCN	0.006009956	0.000452459	0.004978166	2.05	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.207263068	0.090888632	0.266081871	2.931686	42.99	76.16	1.5	122.595	0
HW51.4	0.3075	0.0823	0.4478	"1,3-dap"	NCCCN	NCCCN	0.006040984	0.000454669	0.004973314	2.1295	8	1	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.21467975	0.091421637	0.267642276	2.836809	42.99	76.16	1.5	122.595	0
HW51.5	0.3117	0.085	0.4479	"1,3-dap"	NCCCN	NCCCN	0.006042333	0.000469585	0.005041242	2.093	8	1	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.198580154	0.093148615	0.272698107	2.886924	42.99	76.16	1.5	122.595	0
HW51.6	0.308	0.0813	0.4468	"1,3-dap"	NCCCN	NCCCN	0.006027493	0.000449144	0.004981401	2.4035	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.209999721	0.090164195	0.263961039	2.507798	42.99	76.16	1.5	122.595	0
HW51.7	0.3087	0.0847	0.4502	"1,3-dap"	NCCCN	NCCCN	0.006073361	0.000467927	0.004992722	2.0761	8	1	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.216442776	0.093721895	0.274376417	2.92537	42.99	76.16	1.5	122.595	0
HW51.8	0.3078	0.0854	0.4889	"1,3-dap"	NCCCN	NCCCN	0.006595438	0.000471795	0.004978166	2.1161	8	2	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.324872984	0.094772761	0.277452891	3.116789	42.99	76.16	1.5	122.595	0
HW51.9	0.3084	0.0816	0.4868	"1,3-dap"	NCCCN	NCCCN	0.006567108	0.000450801	0.00498787	2.0285	8	1	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.316615679	0.090379528	0.26459144	3.237421	42.99	76.16	1.5	122.595	0
HW51.10	0.3081	0.082	0.486	"1,3-dap"	NCCCN	NCCCN	0.006556316	0.000453011	0.004983018	2.0978	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.315731867	0.090911	0.266147355	3.125329	42.99	76.16	1.5	122.595	0
HW51.11	0.3081	0.0827	0.4953	"1,3-dap"	NCCCN	NCCCN	0.006681776	0.000456878	0.004983018	2.0846	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.340909452	0.091687069	0.268419344	3.205304	42.99	76.16	1.5	122.595	0
HW51.12	0.3093	0.0808	0.5444	"1,3-dap"	NCCCN	NCCCN	0.007344153	0.000446382	0.005002426	1.6264	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.468118188	0.089233046	0.261235047	4.515588	42.99	76.16	1.5	122.595	0
HW51.13	0.3116	0.0831	0.523	"1,3-dap"	NCCCN	NCCCN	0.007055459	0.000459088	0.005039625	1.0743	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.399996862	0.091095695	0.266688062	6.567494	42.99	76.16	1.5	122.595	0
HW51.14	0.3084	0.08	0.5237	"1,3-dap"	NCCCN	NCCCN	0.007064902	0.000441962	0.00498787	2.5061	8	1	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.416416662	0.08860738	0.259403372	2.819082	42.99	76.16	1.5	122.595	0
HW51.15	0.3079	0.083	0.4826	"1,3-dap"	NCCCN	NCCCN	0.006510448	0.000458536	0.004979783	1.6578	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.307375828	0.092079443	0.269568042	3.927161	42.99	76.16	1.5	122.595	0
HW53.1	0.3089	0.081	0.5209	"1,3-dap"	NCCCN	NCCCN	0.007027129	0.000447487	0.004995957	2.0178	8	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.406563267	0.089569756	0.262220783	3.48257	42.99	76.16	1.5	122.595	0
HW53.2	0.309	0.0806	0.5231	"1,3-dap"	NCCCN	NCCCN	0.007056808	0.000445277	0.004997574	2.0532	8	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.412046709	0.089098592	0.260841424	3.43698	42.99	76.16	1.5	122.595	0
HW53.3	0.308	0.0829	0.5208	"1,3-dap"	NCCCN	NCCCN	0.00702578	0.000457983	0.004981401	2.0519	8	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.41040254	0.091938644	0.269155844	3.424036	42.99	76.16	1.5	122.595	0
HW53.4	0.3083	0.0813	0.5171	"1,3-dap"	NCCCN	NCCCN	0.006975866	0.000449144	0.004986253	2.0103	8	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.399019718	0.090076458	0.263704184	3.470062	42.99	76.16	1.5	122.595	0
HW53.5	0.3083	0.0812	0.5153	"1,3-dap"	NCCCN	NCCCN	0.006951583	0.000448592	0.004986253	2.0345	8	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.394149798	0.089965663	0.263379825	3.416851	42.99	76.16	1.5	122.595	0
HW54.1	0.312	0.0895	0.554	"1,3-dap"	NCCCN	NCCCN	0.00747366	0.000494445	0.005046094	2.0083	8	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.481078212	0.097985705	0.286858974	3.721386	42.99	76.16	1.5	122.595	0
HW54.2	0.3093	0.0826	0.5996	"1,3-dap"	NCCCN	NCCCN	0.008088821	0.000456326	0.005002426	2.0316	8	4	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.616979547	0.091220911	0.26705464	3.981503	42.99	76.16	1.5	122.595	0
HW54.3	0.3081	0.0806	0.5571	"1,3-dap"	NCCCN	NCCCN	0.00751548	0.000445277	0.004983018	2.5133	8	4	1	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	9.06	9.32	22.73				10.17	8.42			0	0	5	0	14	0	0	0	5	0	0	0	0	1	0	0	2	2.19	0	35	20	2	19.49	33.25	2.74	4.47	8.71	5.18	85.98	152.32	245.19	175.86	69.33	220.15	25.04	52.04	2	2	2	4	2.87	2	0	0	0	0	0	0	0	0	0	0	0	0	1.508218566	0.089358861	0.261603376	2.990284	42.99	76.16	1.5	122.595	0
HW54.4	0.3085	0.0823	0.6132	"1,4-dab"	NCCCCN	NCCCCN	0.006956009	0.000454669	0.004989487	2.038	8	1	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.39413298	0.091125295	0.266774716	3.413154	51.475	91.505	2	138.285	0
HW54.5	0.3097	0.0808	0.5328	"1,4-dab"	NCCCCN	NCCCCN	0.006043969	0.000446382	0.005008895	2.0273	8	1	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.20664699	0.089117795	0.260897643	2.98129	51.475	91.505	2	138.285	0
HW54.6	0.3083	0.098	0.5154	"1,5-dap"	NCCCCCN	NCCCCCN	0.005043991	0.000541404	0.004986253	2.0625	8	2	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	1.011579425	0.108579248	0.317872202	2.445571	59.985	106.78	2.5	154.115	0
HW54.7	0.3086	0.0809	0.7283	"1,5-dap"	NCCCCCN	NCCCCCN	0.007127548	0.000446934	0.004991105	2.0755	8	2	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	1.428050239	0.089546142	0.262151653	3.434135	59.985	106.78	2.5	154.115	0
HW54.8	0.3111	0.0857	0.6514	2-mpyz	Cc1cnccn1	Cc1cnccn1	0.006921173	0.000473452	0.005031538	2.0738	8	2	1	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.73	10.3	26.34				1.42	-1.12			0	1	1	6	13	0	0	0	1	0	6	6	6	0.2	0	1	0	1.82	1	71	42	5	18.85	35.91	3.2	4.08	8.09	4	90.4	153.3	278.39	187.25	91.15	232.53	45.86	25.78	2	2	0	0	8.73E-01	0	0	2	0	0	0	0	0	0	0	0	0	0	1.375558023	0.094096851	0.275474124	3.337435	45.2	76.65	2.5	139.195	2
HW54.9	0.3093	0.0841	0.5701	2-mpyz	Cc1cnccn1	Cc1cnccn1	0.006057354	0.000464613	0.005002426	2.0137	8	2	1	Hydrothermal	90	24	23	Human		94.117	94.117	5	2	9.73	10.3	26.34				1.42	-1.12			0	1	1	6	13	0	0	0	1	0	6	6	6	0.2	0	1	0	1.82	1	71	42	5	18.85	35.91	3.2	4.08	8.09	4	90.4	153.3	278.39	187.25	91.15	232.53	45.86	25.78	2	2	0	0	8.73E-01	0	0	2	0	0	0	0	0	0	0	0	0	0	1.210883307	0.092877465	0.2719043	3.008072	45.2	76.65	2.5	139.195	2
HW54.10	0.3089	0.0831	0.6319	"1,2-dap"	CC(N)CN	CC(N)CN	0.008524559	0.000459088	0.004995957	2.1701	8	1	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.706291666	0.091891934	0.2690191	3.928187	43.025	75.165	1.5	115.245	1
HW54.11	0.3105	0.0836	0.5178	"1,2-dap"	CC(N)CN	CC(N)CN	0.006985309	0.00046185	0.005021834	2.0778	8	2	2	Hydrothermal	90	24	23	Human		74.127	74.127	3	2	8.94	9.32	22.29				9.83	7.12			0	0	5	0	14	0	0	0	5	1	0	0	0	1	0	0	1	2.54	0	28	18	2	20.85	32.01	3.11	3.94	7.7	5.26	86.05	150.33	230.49	187.33	43.16	210.6	19.89	52.04	2	2	2	4	2.44	2	0	0	0	0	0	0	0	0	0	0	0	0	1.390987618	0.091968468	0.269243156	3.361877	43.025	75.165	1.5	115.245	1
HW54.12	0.3103	0.0821	0.6912	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.005947955	0.000453564	0.005018599	2.0384	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	1.185182345	0.09037653	0.264582662	2.917953	69.83	132.425	3	185.57	1
HW54.13	0.3114	0.0851	0.8229	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.007081268	0.000470137	0.00503639	2.0369	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	1.406020568	0.093348046	0.273281952	3.476493	69.83	132.425	3	185.57	1
HW54.14	0.3094	0.0805	0.693	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.005963445	0.000444724	0.005004043	2.0197	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	1.19172526	0.088873002	0.260180995	2.952639	69.44	130.43	3	186.36	1
HW54.15	0.3097	0.0826	0.8091	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.006962515	0.000456326	0.005008895	2.0456	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	1.390030135	0.091103093	0.266709719	3.403654	69.44	130.43	3	186.36	1
HW56.1	0.3098	0.0842	0.4235	en	NCCN	NCCN	0.007046589	0.000465165	0.005010513	2.0145	8	2	2	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	1.406360875	0.092837825	0.27178825	3.497934	34.51	60.835	1	108.375	1
HW56.2	0.3111	0.0808	0.3647	en	NCCN	NCCN	0.00606822	0.000446382	0.005031538	2.0603	8	2	2	Hydrothermal	90	24	23	Human		60.1	60.1	2	2	7.08	7.47	17.87				9.69	6.98			0	0	4	0	11	0	0	0	4	0	0	0	0	1	0	0	1	1.97	0	15	10	1	17.73	26.52	2.63	3.85	7.63	5.03	69.02	121.67	216.75	190.03	26.72	190.03	26.72	52.04	2	2	2	4	2.68	2	0	0	0	0	0	0	0	0	0	0	0	0	1.206036708	0.088716751	0.259723562	2.945309	34.51	60.835	1	108.375	1
HW56.3	0.309	0.0809	0.5841	teta	NCCNCCNCCN	NCCNCCNCCN	0.003994174	0.000446934	0.004997574	2.008	8	2	2	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	18.04	17.9	43.32				9.77	9.16	6.8	4.05	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	26.29	56.93	3.13	7.1	14.28	5.69	161.8	286.22	390.4	349.78	40.62	349.78	40.62	76.1	4	4	4	6	3.13	2	2	0	0	0	0	0	0	0	0	0	0	0	0.79922256	0.089430225	0.261812298	1.98913	40.45	71.555	1.5	97.6	2
HW56.4	0.3112	0.0803	0.8922	teta	NCCNCCNCCN	NCCNCCNCCN	0.006101013	0.000443619	0.005033155	2.1317	8	1	2	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	18.04	17.9	43.32				9.77	9.16	6.8	4.05	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	7	2.65	0	495	165	7	26.29	56.93	3.13	7.1	14.28	5.69	161.8	286.22	390.4	349.78	40.62	349.78	40.62	76.1	4	4	4	6	3.13	2	2	0	0	0	0	0	0	0	0	0	0	0	1.212164716	0.08813943	0.258033419	2.862041	40.45	71.555	1.5	97.6	2
HW56.5	0.3095	0.0814	0.7314	deta	NCCNCCN	NCCNCCN	0.007089339	0.000449696	0.005005661	2.0005	8	3	1	Hydrothermal	90	24	23	Human		103.169	103.169	4	3	12.42	12.69	30.59				9.93	8.84	5.37		0	0	7	0	19	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	22.86	41.84	3.09	5.35	10.46	5.13	115.4	203.81	294.37	261.77	32.6	261.77	32.6	64.07	3	3	3	5	3.02	2	1	0	0	0	0	0	0	0	0	0	0	0	1.416264366	0.089837577	0.263004847	3.543783	38.46666667	67.93666667	1.333333333	98.12333333	1
HW56.6	0.3082	0.0819	0.482	deta	NCCNCCN	NCCNCCN	0.004671946	0.000452459	0.004984635	2.0639	8	2	2	Hydrothermal	90	24	23	Human		103.169	103.169	4	3	12.42	12.69	30.59				9.93	8.84	5.37		0	0	7	0	19	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	22.86	41.84	3.09	5.35	10.46	5.13	115.4	203.81	294.37	261.77	32.6	261.77	32.6	64.07	3	3	3	5	3.02	2	1	0	0	0	0	0	0	0	0	0	0	0	0.93726938	0.090770671	0.265736535	2.263649	38.46666667	67.93666667	1.333333333	98.12333333	1
HW56.7	0.3115	0.0803	0.8666	hmta	C1N2CN3CN1CN(C2)C3	C1N2CN3CN1CN(C2)C3	0.006181611	0.000443619	0.005038007	2	8	2	2	Hydrothermal	90	24	23	Human		140.19	140.19	6	4	14.25	15.7	37				5.88	4.02	2.29	0.56	3	0	10	0	24	0	0	0	0	0	10	6	6	1	3	0	0	1.9	3	168	96	12	32.63	36.52	3.67	3.67	6.84	7.24	132.65	219.37	232.06	212.64	19.42	212.64	19.42	12.96	4	4	0	0	1.66	0	0	4	0	0	0	0	0	0	0	0	0	0	1.226995145	0.088054544	0.257784912	3.090805	33.1625	54.8425	1.5	58.015	4
HW56.8	0.3075	0.0931	0.5641	hmta	C1N2CN3CN1CN(C2)C3	C1N2CN3CN1CN(C2)C3	0.004023825	0.000514333	0.004973314	2.0756	8	2	2	Hydrothermal	90	24	23	Human		140.19	140.19	6	4	14.25	15.7	37				5.88	4.02	2.29	0.56	3	0	10	0	24	0	0	0	0	0	10	6	6	1	3	0	0	1.9	3	168	96	12	32.63	36.52	3.67	3.67	6.84	7.24	132.65	219.37	232.06	212.64	19.42	212.64	19.42	12.96	4	4	0	0	1.66	0	0	4	0	0	0	0	0	0	0	0	0	0	0.809083213	0.103418644	0.302764228	1.938632	33.1625	54.8425	1.5	58.015	4
HW56.9	0.3098	0.0844	0.8765	tren	NCCN(CCN)CCN	NCCN(CCN)CCN	0.005993654	0.00046627	0.005010513	2.0124	8	2	1	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	17.76	17.9	43.84				9.85	9.37	8.89	1.45	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	6	3.3	0	333	138	9	38.2	56.51	4.79	5.2	10.39	5.81	162.45	282.72	351.37	314.22	37.15	314.22	37.15	81.3	4	4	3	6	2.92	3	0	1	0	0	0	0	0	0	0	0	0	0	1.196215746	0.093058342	0.272433828	2.978361	40.6125	70.68	1.5	87.8425	1
HW56.10	0.3118	0.0831	0.5802	tren	NCCN(CCN)CCN	NCCN(CCN)CCN	0.003967505	0.000459088	0.005042859	2.2629	8	2	2	Hydrothermal	90	24	23	Human		146.238	146.238	6	4	17.76	17.9	43.84				9.85	9.37	8.89	1.45	0	0	10	0	27	0	0	0	10	0	0	0	0	1	0	0	6	3.3	0	333	138	9	38.2	56.51	4.79	5.2	10.39	5.81	162.45	282.72	351.37	314.22	37.15	314.22	37.15	81.3	4	4	3	6	2.92	3	0	1	0	0	0	0	0	0	0	0	0	0	0.78675701	0.091037263	0.266516998	1.753283	40.6125	70.68	1.5	87.8425	1
HW56.11	0.3076	0.0813	0.5213	dmed	CNCCNC	CNCCNC	0.005913515	0.000449144	0.004974931	2.0248	8	2	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	1.188662651	0.090281443	0.264304291	2.920543	51.995	97.555	2	162.93	1
HW56.12	0.3108	0.0805	0.4656	dmed	CNCCNC	CNCCNC	0.005281666	0.000444724	0.005026686	2.2039	8	4	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	1.050725288	0.088472673	0.259009009	2.396509	51.995	97.555	2	162.93	1
HW56.13	0.3087	0.0819	1.2094	bapp	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.006037039	0.000452459	0.004992722	2.2484	8	1	2	Hydrothermal	90	24	23	Human		200.33	200.33	10	4	25.33	24.55	61.67				10.18	9.58	7.26	1.46	1	0	14	0	38	0	0	0	8	0	6	6	6	1	1	0	6	2.05	1	1200	367	15	28.19	76.51	3.51	8.43	16.96	6.17	220.05	386.39	447.79	361.16	86.62	415.91	31.88	58.52	4	4	2	4	3.06	2	0	2	0	0	0	0	0	0	0	0	1	0	1.209167847	0.09062365	0.265306122	2.685038	55.0125	96.5975	2.5	111.9475	2
HW56.14	0.3085	0.0808	0.8419	bapp	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.004202566	0.000446382	0.004989487	2.0665	8	1	2	Hydrothermal	90	24	23	Human		200.33	200.33	10	4	25.33	24.55	61.67				10.18	9.58	7.26	1.46	1	0	14	0	38	0	0	0	8	0	6	6	6	1	1	0	6	2.05	1	1200	367	15	28.19	76.51	3.51	8.43	16.96	6.17	220.05	386.39	447.79	361.16	86.62	415.91	31.88	58.52	4	4	2	4	3.06	2	0	2	0	0	0	0	0	0	0	0	1	0	0.842284089	0.089464445	0.26191248	2.033664	55.0125	96.5975	2.5	111.9475	2
HW56.15	0.311	0.0994	1.0336	aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.00818998	0.000549138	0.005029921	2.0304	8	4	1	Hydrothermal	90	24	23	Human		126.203	126.203	7	2	14.59	15.23	37.89				10.07	6.97			2	0	9	0	24	0	0	0	1	2	8	6	6	1	2	0	0	1.86	2	132	76	10	32.01	39.06	3.58	4.09	7.74	6.85	133.56	221.23	227.88	187.29	40.59	216.9	10.98	29.26	2	2	1	2	2.04	1	0	1	0	0	0	0	0	0	0	3	0	0	1.628252222	0.109174264	0.319614148	4.033678	66.78	110.615	3.5	113.94	1
HW58.1	0.3075	0.0812	0.133	"1,5-dap"	NCCCCCN	NCCCCCN	0.001301612	0.000448592	0.004973314	2.0247	8	2	1	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.261719221	0.09019972	0.264065041	0.642867	59.985	106.78	2.5	154.115	0
HW58.2	0.3123	0.0812	0.3851	"1,5-dap"	NCCCCCN	NCCCCCN	0.003768802	0.000448592	0.005050946	2.0703	8	1	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.746157712	0.088813365	0.260006404	1.820414	59.985	106.78	2.5	154.115	0
HW58.3	0.3087	0.081	0.06	"1,5-dap"	NCCCCCN	NCCCCCN	0.000587193	0.000447487	0.004992722	2.0487	8	2	1	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.117609856	0.089627786	0.262390671	0.286618	59.985	106.78	2.5	154.115	0
HW58.4	0.3084	0.0836	0.2558	"1,5-dap"	NCCCCCN	NCCCCCN	0.002503401	0.00046185	0.00498787	1.1286	8	1	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.501897773	0.092594712	0.271076524	2.218147	59.985	106.78	2.5	154.115	0
HW58.5	0.3074	0.0811	0.3892	"1,5-dap"	NCCCCCN	NCCCCCN	0.003808927	0.000448039	0.004971697	1.0434	8	1	2	Hydrothermal	90	24	23	Human		102.181	102.181	5	2	13.11	13.01	31.98				10.51	9.9			0	0	7	0	20	0	0	0	7	0	0	0	0	1	0	0	4	2.45	0	126	56	4	20.78	43.94	2.85	5.76	11.49	5.48	119.97	213.56	308.23	226.27	81.96	283.45	24.79	52.04	2	2	2	4	2.47	2	0	0	0	0	0	0	0	0	0	0	0	0	0.766122234	0.090117943	0.263825634	3.650496	59.985	106.78	2.5	154.115	0
HW58.6	0.3105	0.0801	1.2058	aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.009554448	0.000442515	0.005021834	2.0569	8	3	1	Hydrothermal	90	24	23	Human		126.203	126.203	7	2	14.59	15.23	37.89				10.07	6.97			2	0	9	0	24	0	0	0	1	2	8	6	6	1	2	0	0	1.86	2	132	76	10	32.01	39.06	3.58	4.09	7.74	6.85	133.56	221.23	227.88	187.29	40.59	216.9	10.98	29.26	2	2	1	2	2.04	1	0	1	0	0	0	0	0	0	0	3	0	0	1.902581383	0.088118113	0.257971014	4.645072	66.78	110.615	3.5	113.94	1
HW58.7	0.3075	0.084	0.7954	aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.006302544	0.00046406	0.004973314	2.0059	8	4	1	Hydrothermal	90	24	23	Human		126.203	126.203	7	2	14.59	15.23	37.89				10.07	6.97			2	0	9	0	24	0	0	0	1	2	8	6	6	1	2	0	0	1.86	2	132	76	10	32.01	39.06	3.58	4.09	7.74	6.85	133.56	221.23	227.88	187.29	40.59	216.9	10.98	29.26	2	2	1	2	2.04	1	0	1	0	0	0	0	0	0	0	3	0	0	1.267272569	0.093310055	0.273170732	3.142003	66.78	110.615	3.5	113.94	1
HW58.8	0.3105	0.0811	0.4969	aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.003937307	0.000448039	0.005021834	2.0547	8	1	2	Hydrothermal	90	24	23	Human		126.203	126.203	7	2	14.59	15.23	37.89				10.07	6.97			2	0	9	0	24	0	0	0	1	2	8	6	6	1	2	0	0	1.86	2	132	76	10	32.01	39.06	3.58	4.09	7.74	6.85	133.56	221.23	227.88	187.29	40.59	216.9	10.98	29.26	2	2	1	2	2.04	1	0	1	0	0	0	0	0	0	0	3	0	0	0.784037725	0.089218215	0.261191626	1.916244	66.78	110.615	3.5	113.94	1
HW58.9	0.3095	0.0883	1.3949	aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.011052828	0.000487816	0.005005661	2.0623	8	4	1	Hydrothermal	90	24	23	Human		126.203	126.203	7	2	14.59	15.23	37.89				10.07	6.97			2	0	9	0	24	0	0	0	1	2	8	6	6	1	2	0	0	1.86	2	132	76	10	32.01	39.06	3.58	4.09	7.74	6.85	133.56	221.23	227.88	187.29	40.59	216.9	10.98	29.26	2	2	1	2	2.04	1	0	1	0	0	0	0	0	0	0	3	0	0	2.208065686	0.097452802	0.285298869	5.359466	66.78	110.615	3.5	113.94	1
HW58.10	0.308	0.084	0.996	aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.007892047	0.00046406	0.004981401	2.0067	8	2	1	Hydrothermal	90	24	23	Human		126.203	126.203	7	2	14.59	15.23	37.89				10.07	6.97			2	0	9	0	24	0	0	0	1	2	8	6	6	1	2	0	0	1.86	2	132	76	10	32.01	39.06	3.58	4.09	7.74	6.85	133.56	221.23	227.88	187.29	40.59	216.9	10.98	29.26	2	2	1	2	2.04	1	0	1	0	0	0	0	0	0	0	3	0	0	1.5843028	0.093158578	0.272727273	3.932848	66.78	110.615	3.5	113.94	1
HW60.1	0.3082	0.0811	0.4548	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.004054343	0.000448039	0.004984635	2.0305	8	2	2	Hydrothermal	90	24	23	Human		112.176	112.176	6	2	12.66	13.38	34.07				9.76	4.65			2	0	8	0	21	0	0	0	0	0	8	6	6	1	2	0	0	2.03	2	87	54	7	28.01	34.74	3.48	3.56	6.88	6.75	117.75	203.42	239.14	228.22	10.92	228.22	10.92	6.48	2	2	0	0	2.59	0	0	2	0	0	0	0	0	0	0	0	3	0	0.813368068	0.089884022	0.263140818	1.996722	58.875	101.71	3	119.57	1
HW60.2	0.3108	0.0808	0.686	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.00611539	0.000446382	0.005026686	2.0911	8	2	2	Hydrothermal	90	24	23	Human		112.176	112.176	6	2	12.66	13.38	34.07				9.76	4.65			2	0	8	0	21	0	0	0	0	0	8	6	6	1	2	0	0	2.03	2	87	54	7	28.01	34.74	3.48	3.56	6.88	6.75	117.75	203.42	239.14	228.22	10.92	228.22	10.92	6.48	2	2	0	0	2.59	0	0	2	0	0	0	0	0	0	0	0	3	0	1.216584845	0.088802385	0.25997426	2.924485	58.875	101.71	3	119.57	1
HW60.3	0.3097	0.0808	0.6345	3-apyr	NC1CCNC1	NC1CCNC1	0.007366087	0.000446382	0.005008895	2.0483	8	4	1	Hydrothermal	90	24	23	Human		86.138	86.138	4	2	9.94	10.43	25.21				10.84	7.37			1	0	6	0	16	0	0	0	1	1	5	5	5	1	1	0	0	2.18	1	39	26	2	23.8	31.79	3.08	3.73	7.45	5.36	91.93	159.14	222.24	177.69	44.56	203.37	18.87	38.05	2	2	2	3	2.54	1	1	0	0	0	0	0	0	0	0	0	0	0	1.470601091	0.089117795	0.260897643	3.596195	45.965	79.57	2	111.12	1
HW60.4	0.3077	0.0823	0.9735	3-apyr	NC1CCNC1	NC1CCNC1	0.011301632	0.000454669	0.004976549	2.0045	8	2	2	Hydrothermal	90	24	23	Human		86.138	86.138	4	2	9.94	10.43	25.21				10.84	7.37			1	0	6	0	16	0	0	0	1	1	5	5	5	1	1	0	0	2.18	1	39	26	2	23.8	31.79	3.08	3.73	7.45	5.36	91.93	159.14	222.24	177.69	44.56	203.37	18.87	38.05	2	2	2	3	2.54	1	1	0	0	0	0	0	0	0	0	0	0	0	2.270977975	0.091362215	0.267468313	5.63813	45.965	79.57	2	111.12	1
HW60.5	0.3081	0.0849	0.5479	1-mpip	CN1CCNCC1	CN1CCNCC1	0.005469975	0.000469032	0.004983018	2.0719	8	4	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	1.097723226	0.094126145	0.275559883	2.640077	55.265	100.345	2.5	137.02	1
HW60.6	0.3108	0.0861	0.5995	1-mpip	CN1CCNCC1	CN1CCNCC1	0.005985125	0.000475662	0.005026686	2.0647	8	1	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	1.190670047	0.094627294	0.277027027	2.898787	55.265	100.345	2.5	137.02	1
HW60.7	0.3093	0.083	0.4972	1-mpip	CN1CCNCC1	CN1CCNCC1	0.00496381	0.000458536	0.005002426	4.0227	8	3	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.992280487	0.091662659	0.268347882	1.23395	55.265	100.345	2.5	137.02	1
HW60.8	0.3091	0.0813	0.6242	1-mpip	CN1CCNCC1	CN1CCNCC1	0.006231718	0.000449144	0.004999191	4.1165	8	3	1	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	1.246545142	0.089843326	0.263021676	1.513839	55.265	100.345	2.5	137.02	1
HW61.1	0.3084	0.0887	0.4455	"1,4-dab"	NCCCCN	NCCCCN	0.005053656	0.000490025	0.00498787	2.1876	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.013189224	0.098243433	0.287613489	2.310137	51.475	91.505	2	138.285	0
HW61.2	0.312	0.0804	0.445	"1,4-dab"	NCCCCN	NCCCCN	0.005047984	0.000444172	0.005046094	2.0385	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.000374563	0.088022912	0.257692308	2.476323	51.475	91.505	2	138.285	0
HW61.3	0.3142	0.0816	0.4364	"1,4-dab"	NCCCCN	NCCCCN	0.004950428	0.000450801	0.005081676	2.3268	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.974172318	0.08871116	0.259707193	2.127569	51.475	91.505	2	138.285	0
HW61.4	0.3079	0.0868	0.4463	"1,4-dab"	NCCCCN	NCCCCN	0.005062731	0.000479529	0.004979783	2.0263	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.01665692	0.096295128	0.281909711	2.49851	51.475	91.505	2	138.285	0
HW61.5	0.3145	0.0807	0.438	"1,4-dab"	NCCCCN	NCCCCN	0.004968578	0.000445829	0.005086528	2.081	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.97681132	0.08764904	0.256597774	2.387591	51.475	91.505	2	138.285	0
HW61.6	0.309	0.0966	0.4461	"1,4-dab"	NCCCCN	NCCCCN	0.005060462	0.000533669	0.004997574	2.1363	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.012583782	0.106785657	0.312621359	2.368798	51.475	91.505	2	138.285	0
HW61.7	0.3081	0.0831	0.4513	"1,4-dab"	NCCCCN	NCCCCN	0.00511945	0.000459088	0.004983018	2.0671	8	1	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.027379412	0.092130537	0.269717624	2.476634	51.475	91.505	2	138.285	0
HW61.8	0.3079	0.0828	0.446	"1,4-dab"	NCCCCN	NCCCCN	0.005059328	0.000457431	0.004979783	2.0474	5	2	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.01597353	0.091857565	0.26891848	2.471099	51.475	91.505	2	138.285	0
HW61.9	0.3108	0.0824	0.4491	"1,4-dab"	NCCCCN	NCCCCN	0.005094494	0.000455221	0.005026686	2.0552	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.013489534	0.090560848	0.265122265	2.478831	51.475	91.505	2	138.285	0
HW61.10	0.3094	0.0802	0.4422	"1,4-dab"	NCCCCN	NCCCCN	0.005016222	0.000443067	0.005004043	2.0635	8	1	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.002433685	0.088541798	0.259211377	2.430929	51.475	91.505	2	138.285	0
HW61.11	0.3116	0.0812	0.4586	"1,4-dab"	NCCCCN	NCCCCN	0.00520226	0.000448592	0.005039625	2.0451	4	2	1	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.032271233	0.089012881	0.260590501	2.543768	51.475	91.505	2	138.285	0
HW61.12	0.3101	0.0802	0.4404	"1,4-dab"	NCCCCN	NCCCCN	0.004995803	0.000443067	0.005015365	2.0973	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.996099604	0.08834193	0.25862625	2.382016	51.475	91.505	2	138.285	0
HW61.13	0.3077	0.0825	0.4424	"1,4-dab"	NCCCCN	NCCCCN	0.00501849	0.000455773	0.004976549	2.0725	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.008427883	0.091584237	0.268118297	2.421467	51.475	91.505	2	138.285	0
HW61.14	0.3091	0.9	0.4495	"1,4-dab"	NCCCCN	NCCCCN	0.005099031	0.004972074	0.004999191	2.0913	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.019971212	0.994575561	2.911679068	2.438211	51.475	91.505	2	138.285	0
HW61.15	0.3104	0.099	0.439	"1,4-dab"	NCCCCN	NCCCCN	0.004979922	0.000546928	0.005020217	2.0365	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.99197341	0.108945115	0.318943299	2.445333	51.475	91.505	2	138.285	0
HW63.1	0.309	0.0872	0.3967	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.003413706	0.000481739	0.004997574	6.0084	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.683072719	0.096394507	0.282200647	0.568156	69.83	132.425	3	185.57	1
HW63.2	0.3109	0.0823	0.1179	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.00101456	0.000454669	0.005028303	6.0046	6	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	2.86	0	0	2	0	0	0	0	0	0	0	0	0	0	0.201769865	0.090421851	0.264715343	0.168964	69.83	132.425	3	185.57	1
HW63.3	0.3092	0.0835	0.1117	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000961207	0.000461298	0.005000809	6.1017	5	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	2.86	0	0	2	0	0	0	0	0	0	0	0	0	0	0.192210411	0.092244667	0.270051746	0.157531	69.83	132.425	3	185.57	1
HW63.4	0.3094	0.082	0.1116	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000960347	0.000453011	0.005004043	6.5819	6	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	2.86	0	0	2	0	0	0	0	0	0	0	0	0	0	0.191914198	0.090529021	0.265029089	0.145907	69.83	132.425	3	185.57	1
HW63.5	0.3093	0.0834	0.1192	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001025747	0.000460745	0.005002426	6.0431	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.205049897	0.092104407	0.269641125	0.169739	69.83	132.425	3	185.57	1
HW63.6	0.308	0.0836	0.113	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000972394	0.00046185	0.004981401	6.577	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.195205004	0.092714965	0.271428571	0.147848	69.83	132.425	3	185.57	1
HW63.7	0.3107	0.0837	0.118	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001015421	0.000462403	0.005025069	7.1928	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.202070992	0.092019206	0.269391696	0.141172	69.83	132.425	3	185.57	1
HW63.8	0.3086	0.0801	0.1149	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000988744	0.000442515	0.004991105	6.0928	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.198101301	0.088660642	0.2595593	0.162281	69.83	132.425	3	185.57	1
HW63.9	0.3091	0.0874	0.1201	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001033492	0.000482844	0.004999191	7.0857	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.20673177	0.096584338	0.28275639	0.145856	69.83	132.425	3	185.57	1
HW63.10	0.3083	0.0853	0.1127	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000969813	0.000471242	0.004986253	6.0528	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.194497315	0.094508264	0.27667856	0.160225	69.83	132.425	3	185.57	1
HW63.11	0.31	0.0835	0.1132	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000974115	0.000461298	0.005013747	6.3273	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.194288884	0.092006617	0.269354839	0.153954	69.83	132.425	3	185.57	1
HW63.12	0.3086	0.0881	0.1198	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.00103091	0.000486711	0.004991105	6.1208	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.206549485	0.097515638	0.285482826	0.168427	69.83	132.425	3	185.57	1
HW63.13	0.3132	0.0817	0.1281	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001102334	0.000451354	0.005065502	6.1856	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.217615886	0.089103463	0.260855683	0.17821	69.83	132.425	3	185.57	1
HW63.14	0.311	0.0845	0.1281	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001102334	0.000466822	0.005029921	6.0983	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.219155291	0.092809108	0.27170418	0.180761	69.83	132.425	3	185.57	1
HW63.15	0.3109	0.0839	0.1173	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001009397	0.000463508	0.005028303	6.0607	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.200743046	0.092179748	0.269861692	0.166548	69.83	132.425	3	185.57	1
HW65.1	0.3151	0.0804	0.4667	"1,4-dab"	NCCCCN	NCCCCN	0.005294144	0.000444172	0.005096232	2.0713	7	2	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.038835114	0.08715693	0.255157093	2.555952	51.475	91.505	2	138.285	0
HW65.2	0.3099	0.0803	0.4395	"1,4-dab"	NCCCCN	NCCCCN	0.004985593	0.000443619	0.00501213	2.0309	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.994705516	0.088509166	0.259115844	2.454869	51.475	91.505	2	138.285	0
HW65.3	0.3099	0.0816	0.4469	"1,4-dab"	NCCCCN	NCCCCN	0.005069537	0.000450801	0.00501213	2.0575	8	4	1	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.011453687	0.089942066	0.263310745	2.463931	51.475	91.505	2	138.285	0
HW65.4	0.3098	0.0806	0.4367	"1,4-dab"	NCCCCN	NCCCCN	0.004953831	0.000445277	0.005010513	2.1547	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.988687405	0.088868512	0.26016785	2.299081	51.475	91.505	2	138.285	0
HW65.5	0.3137	0.0831	0.4382	"1,4-dab"	NCCCCN	NCCCCN	0.004970846	0.000459088	0.005073589	2.0764	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.979749561	0.090485874	0.264902773	2.393973	51.475	91.505	2	138.285	0
HW65.6	0.3153	0.0801	0.4508	"1,4-dab"	NCCCCN	NCCCCN	0.005113778	0.000442515	0.005099466	2.0758	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.002806545	0.086776639	0.254043768	2.463522	51.475	91.505	2	138.285	0
HW65.7	0.3086	0.081	0.1168	"1,4-dab"	NCCCCN	NCCCCN	0.001324954	0.000447487	0.004991105	6.094	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.265463089	0.089656829	0.262475697	0.217419	51.475	91.505	2	138.285	0
HW65.8	0.3127	0.087	0.446	"1,4-dab"	NCCCCN	NCCCCN	0.005059328	0.000480634	0.005057415	2.363	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.000378158	0.095035453	0.278221938	2.141061	51.475	91.505	2	138.285	0
HW65.9	0.3103	0.0815	0.1092	"1,4-dab"	NCCCCN	NCCCCN	0.001238741	0.000450249	0.005018599	8.0514	8	4	1	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.246830081	0.089716043	0.262649049	0.153854	51.475	91.505	2	138.285	0
HW65.10	0.3087	0.0835	0.4466	"1,4-dab"	NCCCCN	NCCCCN	0.005066134	0.000461298	0.004992722	2.0223	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.01470386	0.092394076	0.270489148	2.505135	51.475	91.505	2	138.285	0
HW65.11	0.3091	0.0868	0.332	"1,4-dab"	NCCCCN	NCCCCN	0.003766137	0.000479529	0.004999191	6.0751	8	1	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.753349149	0.095921287	0.28081527	0.61993	51.475	91.505	2	138.285	0
HW65.12	0.3133	0.0807	0.3301	"1,4-dab"	NCCCCN	NCCCCN	0.003744583	0.000445829	0.00506712	8.0022	8	1	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.738996451	0.087984753	0.257580594	0.467944	51.475	91.505	2	138.285	0
HW65.13	0.3098	0.0818	0.4674	"1,4-dab"	NCCCCN	NCCCCN	0.005302085	0.000451906	0.005010513	2.0807	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	1.058192107	0.090191616	0.264041317	2.548222	51.475	91.505	2	138.285	0
HW65.14	0.3104	0.0859	0.2226	"1,4-dab"	NCCCCN	NCCCCN	0.002525126	0.000474557	0.005020217	8.1013	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.502991529	0.094529145	0.276739691	0.311694	51.475	91.505	2	138.285	0
HW65.15	0.3155	0.0822	0.2257	"1,4-dab"	NCCCCN	NCCCCN	0.002560292	0.000454116	0.005102701	10.081	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.07	11.17	27.38				10.51	9.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	21.31	38.03	2.99	5.12	9.98	5.33	102.95	183.01	276.57	201.32	75.25	251.73	24.84	52.04	2	2	2	4	2.79	2	0	0	0	0	0	0	0	0	0	0	0	0	0.501752354	0.088995231	0.260538827	0.253972	51.475	91.505	2	138.285	0
HW67.1	0.3109	0.0909	0.354	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003534169	0.000502179	0.005028303	4.0401	8	1	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.702855085	0.09987055	0.29237697	0.874773	55.265	100.345	2.5	137.02	1
HW67.2	0.311	0.0823	0.3658	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003651974	0.000454669	0.005029921	6.0902	8	1	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.726050056	0.090392776	0.264630225	0.599648	55.265	100.345	2.5	137.02	1
HW67.3	0.3079	0.0824	0.1823	1-mpip	CN1CCNCC1	CN1CCNCC1	0.001819997	0.000455221	0.004979783	2.4513	8	4	2	Hydrothermal	90	24	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.365477151	0.091413808	0.267619357	0.742462	55.265	100.345	2.5	137.02	1
HW67.4	0.3095	0.0815	0.2218	dmed	CNCCNC	CNCCNC	0.002516051	0.000450249	0.005005661	6.0101	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.502641233	0.089947943	0.263327948	0.418637	51.995	97.555	2	162.93	1
HW67.5	0.3106	0.0852	0.1228	dmed	CNCCNC	CNCCNC	0.001393017	0.00047069	0.005023451	2.0911	8	2	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.277302726	0.093698453	0.274307791	0.666165	51.995	97.555	2	162.93	1
HW67.6	0.3098	0.0805	0.1265	dmed	CNCCNC	CNCCNC	0.001434989	0.000444724	0.005010513	5.0432	8	2	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.286395596	0.088758253	0.259845061	0.284539	51.995	97.555	2	162.93	1
HW67.7	0.3099	0.0803	0.058	dmed	CNCCNC	CNCCNC	0.00065794	0.000443619	0.00501213	6.096	8	2	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.131269442	0.088509166	0.259115844	0.10793	51.995	97.555	2	162.93	1
HW67.8	0.3118	0.0907	0.2997	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.002578996	0.000501075	0.005042859	8.168	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.511415459	0.099363174	0.290891597	0.315744	69.44	130.43	3	186.36	1
HW67.9	0.3102	0.1093	0.1113	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.000957765	0.000603831	0.005016982	4.1275	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	15.1	14.86	37.46				10.03	6.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	2.72	0	185	79	5	23.66	50.18	3.16	5.85	11.67	5.59	138.88	260.86	372.72	278.37	94.35	358.18	14.55	15.27	2	2	1	1	2.71	0	1	1	0	0	0	0	0	0	0	0	0	0	0.190904687	0.120357358	0.35235332	0.232045	69.44	130.43	3	186.36	1
HW67.10	0.3112	0.0824	0.0422	dmed	CNCCNC	CNCCNC	0.000478708	0.000455221	0.005033155	4.0136	6	2	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.21	0	2	0	0	0	0	0	0	0	0	0	0	0	0.095110855	0.090444446	0.264781491	0.119271	51.995	97.555	2	162.93	0
HW67.11	0.3113	0.0817	0.0388	dmed	CNCCNC	CNCCNC	0.000440139	0.000451354	0.005034773	8.4505	5	2	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.21	0	2	0	0	0	0	0	0	0	0	0	0	0	0.087419804	0.0896473	0.2624478	0.0521	51.995	97.555	2	162.93	0
HW67.12	0.309	0.0882	0.2231	dmed	CNCCNC	CNCCNC	0.002530798	0.000487263	0.004997574	6.0314	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.506405384	0.097499948	0.285436893	0.419604	51.995	97.555	2	162.93	1
HW67.13	0.3115	0.0832	0.2397	dmed	CNCCNC	CNCCNC	0.002719105	0.000459641	0.005038007	4.1255	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.539718378	0.091234596	0.267094703	0.659097	51.995	97.555	2	162.93	1
HW67.14	0.3109	0.0824	0.1534	dmed	CNCCNC	CNCCNC	0.001740137	0.000455221	0.005028303	4.0586	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.346068333	0.090531719	0.265036989	0.428753	51.995	97.555	2	162.93	1
HW67.15	0.3132	0.0857	0.3393	dmed	CNCCNC	CNCCNC	0.003848946	0.000473452	0.005065502	4.1024	8	4	2	Hydrothermal	90	24	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.759835061	0.093465933	0.273627075	0.938218	51.995	97.555	2	162.93	1
HW69.1	0.3113	0.0808	0.2278	dmed	CNCCNC	CNCCNC	0.002584114	0.000446382	0.005034773	8.2607	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.513253385	0.088659753	0.259556698	0.31282	51.995	97.555	2	162.93	1
HW69.2	0.3122	0.086	0.2153	dmed	CNCCNC	CNCCNC	0.002442317	0.000475109	0.005049329	8.1028	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.483691387	0.094093545	0.275464446	0.301416	51.995	97.555	2	162.93	1
HW69.3	0.3071	0.0813	0.215	dmed	CNCCNC	CNCCNC	0.002438914	0.000449144	0.004966845	8.2311	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.491038864	0.090428434	0.264734614	0.296305	51.995	97.555	2	162.93	1
HW69.4	0.3122	0.0799	0.2132	dmed	CNCCNC	CNCCNC	0.002418495	0.00044141	0.005049329	8.0646	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.478973543	0.087419468	0.255925689	0.29989	51.995	97.555	2	162.93	1
HW69.5	0.3073	0.085	0.2192	dmed	CNCCNC	CNCCNC	0.002486558	0.000469585	0.004970079	8.3726	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.500305426	0.094482341	0.276602668	0.296988	51.995	97.555	2	162.93	1
HW69.6	0.3128	0.0801	0.2135	dmed	CNCCNC	CNCCNC	0.002421898	0.000442515	0.005059033	8.2226	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.478727481	0.087470186	0.256074169	0.294542	51.995	97.555	2	162.93	1
HW69.7	0.3133	0.0838	0.2128	dmed	CNCCNC	CNCCNC	0.002413957	0.000462955	0.00506712	8.179	8	4	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.476396379	0.091364589	0.267475263	0.295141	51.995	97.555	2	162.93	1
HW69.8	0.3083	0.0821	0.2143	dmed	CNCCNC	CNCCNC	0.002430973	0.000453564	0.004986253	6.0412	8	3	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.487535079	0.090962819	0.266299059	0.402399	51.995	97.555	2	162.93	1
HW69.9	0.3103	0.0815	0.2234	dmed	CNCCNC	CNCCNC	0.002534202	0.000450249	0.005018599	6.0885	8	3	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.504961906	0.089716043	0.262649049	0.416228	51.995	97.555	2	162.93	1
HW69.10	0.3154	0.0896	0.2384	dmed	CNCCNC	CNCCNC	0.002704358	0.000494998	0.005101084	6.3256	8	1	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.530153686	0.097037724	0.284083703	0.427526	51.995	97.555	2	162.93	1
HW69.11	0.3116	0.0805	0.214	dmed	CNCCNC	CNCCNC	0.00242757	0.000444724	0.005039625	4.1695	8	4	1	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.481696563	0.088245529	0.258344031	0.582221	51.995	97.555	2	162.93	1
HW69.12	0.3092	0.0813	0.2817	dmed	CNCCNC	CNCCNC	0.003195544	0.000449144	0.005000809	4.0984	8	4	1	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.639005483	0.089814269	0.262936611	0.779705	51.995	97.555	2	162.93	1
HW69.13	0.3085	0.085	0.2255	dmed	CNCCNC	CNCCNC	0.002558023	0.000469585	0.004989487	4.6336	8	3	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.512682627	0.094114824	0.275526742	0.55206	51.995	97.555	2	162.93	1
HW69.14	0.3079	0.0871	0.2226	dmed	CNCCNC	CNCCNC	0.002525126	0.000481186	0.004979783	2.3577	8	3	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.507075578	0.096627945	0.282884053	1.071013	51.995	97.555	2	162.93	1
HW69.15	0.3081	0.0845	0.2121	dmed	CNCCNC	CNCCNC	0.002406017	0.000466822	0.004983018	2.4126	8	3	2	Hydrothermal	90	72	23	Human		88.154	88.154	4	2	11.15	11.17	27.42				9.85	6.9			0	0	6	0	17	0	0	0	6	0	0	0	0	1	0	0	3	2.34	0	70	35	3	17.89	38.41	2.61	5.15	10.28	5.17	103.99	195.11	325.86	245.6	80.27	303.98	21.88	24.06	2	2	2	2	3.1	0	2	0	0	0	0	0	0	0	0	0	0	0	0.482843282	0.093682676	0.274261603	0.997271	51.995	97.555	2	162.93	1
HW71.1	0.3099	0.0886	0.2938	deed	CCN(CC)CCN	CCN(CC)CCN	0.002528225	0.000489473	0.00501213	2.0791	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.9	14.86	37.44				9.66	6.97			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	3.07	0	150	72	7	32.04	48.95	4.22	4.81	9.42	5.54	138.53	254.28	342.69	271.24	71.44	327.3	15.39	29.26	2	2	1	2	1.86	1	0	1	0	0	0	0	0	0	0	0	0	0	0.504421321	0.097657685	0.285898677	1.216019	69.265	127.14	3	171.345	1
HW71.2	0.3105	0.0812	0.2981	deed	CCN(CC)CCN	CCN(CC)CCN	0.002565228	0.000448592	0.005021834	4.1817	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.9	14.86	37.44				9.66	6.97			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	3.07	0	150	72	7	32.04	48.95	4.22	4.81	9.42	5.54	138.53	254.28	342.69	271.24	71.44	327.3	15.39	29.26	2	2	1	2	1.86	1	0	1	0	0	0	0	0	0	0	0	0	0	0.510814941	0.089328225	0.261513688	0.613441	69.265	127.14	3	171.345	1
HW71.3	0.3125	0.0798	0.2994	deed	CCN(CC)CCN	CCN(CC)CCN	0.002576415	0.000440857	0.005054181	6.0138	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.9	14.86	37.44				9.66	6.97			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	3.07	0	150	72	7	32.04	48.95	4.22	4.81	9.42	5.54	138.53	254.28	342.69	271.24	71.44	327.3	15.39	29.26	2	2	1	2	1.86	1	0	1	0	0	0	0	0	0	0	0	0	0	0.509759108	0.087226239	0.25536	0.428417	69.265	127.14	3	171.345	1
HW71.4	0.3063	0.0862	0.2915	deed	CCN(CC)CCN	CCN(CC)CCN	0.002508433	0.000476214	0.004953906	8.1137	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.9	14.86	37.44				9.66	6.97			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	3.07	0	150	72	7	32.04	48.95	4.22	4.81	9.42	5.54	138.53	254.28	342.69	271.24	71.44	327.3	15.39	29.26	2	2	1	2	1.86	1	0	1	0	0	0	0	0	0	0	0	0	0	0.506354626	0.096129027	0.281423441	0.30916	69.265	127.14	3	171.345	1
HW71.5	0.3087	0.0808	0.144	deed	CCN(CC)CCN	CCN(CC)CCN	0.001239157	0.000446382	0.004992722	2.2352	8	2	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.9	14.86	37.44				9.66	6.97			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	3.07	0	150	72	7	32.04	48.95	4.22	4.81	9.42	5.54	138.53	254.28	342.69	271.24	71.44	327.3	15.39	29.26	2	2	1	2	1.86	1	0	1	0	0	0	0	0	0	0	0	0	0	0.248192745	0.089406483	0.261742792	0.554383	69.265	127.14	3	171.345	1
HW71.6	0.309	0.0865	0.1723	deed	CCN(CC)CCN	CCN(CC)CCN	0.001482686	0.000477872	0.004997574	4.0273	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.9	14.86	37.44				9.66	6.97			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	3.07	0	150	72	7	32.04	48.95	4.22	4.81	9.42	5.54	138.53	254.28	342.69	271.24	71.44	327.3	15.39	29.26	2	2	1	2	1.86	1	0	1	0	0	0	0	0	0	0	0	0	0	0.296681194	0.095620697	0.279935275	0.368159	69.265	127.14	3	171.345	1
HW71.7	0.3094	0.0832	0.1386	deed	CCN(CC)CCN	CCN(CC)CCN	0.001192689	0.000459641	0.005004043	6.0306	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.9	14.86	37.44				9.66	6.97			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	3.07	0	150	72	7	32.04	48.95	4.22	4.81	9.42	5.54	138.53	254.28	342.69	271.24	71.44	327.3	15.39	29.26	2	2	1	2	1.86	1	0	1	0	0	0	0	0	0	0	0	0	0	0.238345052	0.091853836	0.268907563	0.197773	69.265	127.14	3	171.345	1
HW71.8	0.3075	0.081	0.1453	deed	CCN(CC)CCN	CCN(CC)CCN	0.001250344	0.000447487	0.004973314	8.0824	8	1	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.9	14.86	37.44				9.66	6.97			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	4	3.07	0	150	72	7	32.04	48.95	4.22	4.81	9.42	5.54	138.53	254.28	342.69	271.24	71.44	327.3	15.39	29.26	2	2	1	2	1.86	1	0	1	0	0	0	0	0	0	0	0	0	0	0.251410675	0.089977553	0.263414634	0.1547	69.265	127.14	3	171.345	1
HW71.9	0.3097	0.0861	0.481	bapa	NCCCNCCCN	NCCCNCCCN	0.003665516	0.000475662	0.005008895	2.4049	8	2	2	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.731801264	0.094963393	0.278010978	1.524186	49.79666667	88.33333333	2	123.2266667	1
HW71.10	0.3072	0.0817	0.5044	bapa	NCCCNCCCN	NCCCNCCCN	0.003843838	0.000451354	0.004968462	4.1023	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.773647543	0.090843765	0.265950521	0.936996	49.79666667	88.33333333	2	123.2266667	1
HW71.11	0.3088	0.0806	0.4996	bapa	NCCCNCCCN	NCCCNCCCN	0.003807259	0.000445277	0.004994339	6.0048	8	4	2	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.762314924	0.089156298	0.261010363	0.634036	49.79666667	88.33333333	2	123.2266667	1
HW71.12	0.3113	0.0824	0.5292	bapa	NCCCNCCCN	NCCCNCCCN	0.00403283	0.000455221	0.005034773	8.2952	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.800995358	0.090415392	0.264696434	0.486164	49.79666667	88.33333333	2	123.2266667	1
HW71.13	0.313	0.0814	0.043	bapa	NCCCNCCCN	NCCCNCCCN	0.000327686	0.000449696	0.005062268	2.1165	8	1	2	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.064731162	0.088833004	0.260063898	0.154825	49.79666667	88.33333333	2	123.2266667	1
HW71.14	0.3138	0.079	0.0829	bapa	NCCCNCCCN	NCCCNCCCN	0.000631749	0.000436438	0.005075206	4.0809	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.124477505	0.085994056	0.251752709	0.154806	49.79666667	88.33333333	2	123.2266667	1
HW71.15	0.312	0.0821	0.0611	bapa	NCCCNCCCN	NCCCNCCCN	0.00046562	0.000453564	0.005046094	6.051	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.092273268	0.089884093	0.263141026	0.0769	49.79666667	88.33333333	2	123.2266667	1
HW73.1	0.3102	0.0815	0.5346	bapa	NCCCNCCCN	NCCCNCCCN	0.004073981	0.000450249	0.005016982	6.3673	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.812038172	0.089744965	0.26273372	0.639829	49.79666667	88.33333333	2	123.2266667	1
HW73.2	0.3086	0.0817	0.5029	bapa	NCCCNCCCN	NCCCNCCCN	0.003832407	0.000451354	0.004991105	6.1804	8	2	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.767847542	0.090431641	0.264744005	0.620091	49.79666667	88.33333333	2	123.2266667	1
HW73.3	0.3161	0.0815	0.3302	bapa	NCCCNCCCN	NCCCNCCCN	0.002516327	0.000450249	0.005112405	6.122	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.492200281	0.088069877	0.257829801	0.41103	49.79666667	88.33333333	2	123.2266667	1
HW73.4	0.3103	0.0828	0.3258	bapa	NCCCNCCCN	NCCCNCCCN	0.002482796	0.000457431	0.005018599	8.4752	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.494718998	0.091147097	0.266838543	0.292948	49.79666667	88.33333333	2	123.2266667	1
HW73.5	0.3132	0.0823	0.3228	bapa	NCCCNCCCN	NCCCNCCCN	0.002459935	0.000454669	0.005065502	4.099	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.485625023	0.089757833	0.262771392	0.60013	49.79666667	88.33333333	2	123.2266667	1
HW73.6	0.3101	0.0813	0.3837	bapa	NCCCNCCCN	NCCCNCCCN	0.00292403	0.000449144	0.005015365	2.339	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.583014448	0.089553602	0.262173492	1.25012	49.79666667	88.33333333	2	123.2266667	1
HW73.7	0.3095	0.083	0.2197	bapa	NCCCNCCCN	NCCCNCCCN	0.001674249	0.000458536	0.005005661	2.1362	8	2	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.334471169	0.091603426	0.268174475	0.783751	49.79666667	88.33333333	2	123.2266667	1
HW73.8	0.3094	0.0834	0.1643	bapa	NCCCNCCCN	NCCCNCCCN	0.001252067	0.000460745	0.005004043	4.0141	5	2	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.25021108	0.092074638	0.269553975	0.311917	49.79666667	88.33333333	2	123.2266667	0
HW73.9	0.3129	0.0943	0.1738	bapa	NCCCNCCCN	NCCCNCCCN	0.001324463	0.000520963	0.00506065	6.0334	8	2	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.26171794	0.10294385	0.301374241	0.219522	49.79666667	88.33333333	2	123.2266667	1
HW73.10	0.308	0.0811	0.1548	bapa	NCCCNCCCN	NCCCNCCCN	0.001179671	0.000448039	0.004981401	8.079	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.236815173	0.089942389	0.263311688	0.146017	49.79666667	88.33333333	2	123.2266667	1
HW73.11	0.3124	0.0807	0.6717	bapa	NCCCNCCCN	NCCCNCCCN	0.005118767	0.000445829	0.005052563	6.016	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	1.013103014	0.08823823	0.258322663	0.850859	49.79666667	88.33333333	2	123.2266667	1
HW73.12	0.3084	0.0816	0.6683	bapa	NCCCNCCCN	NCCCNCCCN	0.005092857	0.000450801	0.00498787	6.2117	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	1.02104851	0.090379528	0.26459144	0.819881	49.79666667	88.33333333	2	123.2266667	1
HW73.13	0.3114	0.0828	0.7048	bapa	NCCCNCCCN	NCCCNCCCN	0.00537101	0.000457431	0.00503639	6.07	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	1.066440356	0.090825126	0.265895954	0.884845	49.79666667	88.33333333	2	123.2266667	1
HW73.14	0.3122	0.0871	0.4934	bapa	NCCCNCCCN	NCCCNCCCN	0.003760012	0.000481186	0.005049329	6.2129	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.744655721	0.095297067	0.278987828	0.605194	49.79666667	88.33333333	2	123.2266667	1
HW73.15	0.3193	0.0865	0.4946	bapa	NCCCNCCCN	NCCCNCCCN	0.003769156	0.000477872	0.00516416	6.0845	8	4	1	Hydrothermal	90	24	23	Human		131.223	131.223	6	3	16.71	16.38	40.32				10.4	9.36	6.82		0	0	9	0	25	0	0	0	9	0	0	0	0	1	0	0	6	2.6	0	330	120	6	25.01	54.93	3.34	6.99	13.71	5.55	149.39	265	369.68	268.6	101.08	337.41	32.27	64.07	3	3	3	5	2.89	2	1	0	0	0	0	0	0	0	0	0	0	0	0.72986826	0.092536159	0.270905105	0.619469	49.79666667	88.33333333	2	123.2266667	1
HW76.1	0.3099	0.0848	0.3576	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003570109	0.00046848	0.00501213	2.1311	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.712293834	0.093469206	0.273636657	1.675243	55.265	100.345	2.5	137.02	1
HW76.2	0.3106	0.0821	0.1711	1-mpip	CN1CCNCC1	CN1CCNCC1	0.001708182	0.000453564	0.005023451	2.0887	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.340041411	0.090289237	0.264327109	0.81782	55.265	100.345	2.5	137.02	1
HW76.3	0.3079	0.0867	0.5389	1-mpip	CN1CCNCC1	CN1CCNCC1	0.005380123	0.000478976	0.004979783	2.0387	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	1.080392961	0.096184189	0.28158493	2.638997	55.265	100.345	2.5	137.02	1
HW76.4	0.3093	0.1335	0.3538	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003532172	0.000737524	0.005002426	2.0696	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.706091787	0.147433313	0.431619787	1.706693	55.265	100.345	2.5	137.02	1
HW76.5	0.3088	0.1737	0.3592	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003586083	0.00095961	0.004994339	2.0147	8	4	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.7180295	0.192139566	0.5625	1.779959	55.265	100.345	2.5	137.02	1
HW76.6	0.3107	0.0451	0.3601	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003595068	0.000249156	0.005025069	2.1029	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.715426659	0.049582631	0.145156099	1.709576	55.265	100.345	2.5	137.02	1
HW76.7	0.3088	0.0886	0.3535	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003529177	0.000489473	0.004994339	1.0347	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.706635379	0.098005559	0.286917098	3.410821	55.265	100.345	2.5	137.02	1
HW76.8	0.3101	0.0831	0.3542	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003536165	0.000459088	0.005015365	3.2886	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.705066437	0.091536338	0.267978072	1.07528	55.265	100.345	2.5	137.02	1
HW76.9	0.3113	0.0832	0.3566	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003560126	0.000459641	0.005034773	2.1179	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.707107542	0.091293211	0.267266303	1.68097	55.265	100.345	2.5	137.02	1
HW76.10	0.2449	0.0873	0.3648	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003641991	0.000482291	0.00396086	2.0559	8	4	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.919494838	0.121764233	0.356472029	1.771482	55.265	100.345	2.5	137.02	1
HW76.11	0.3679	0.0893	0.3729	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003722857	0.00049334	0.005950186	2.0678	8	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.625670742	0.082911725	0.242729002	1.800395	55.265	100.345	2.5	137.02	1
HW76.12	0.3047	0.0953	0.3565	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003559127	0.000526487	0.004928028	2.293	7	4	1	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	3.14	0	1	1	0	0	0	0	0	0	0	0	1	0	0.722221364	0.106835288	0.312766656	1.552171	55.265	100.345	2.5	137.02	1
HW76.13	0.3086	0.0955	0.3562	1-mpip	CN1CCNCC1	CN1CCNCC1	0.003556132	0.000527592	0.004991105	2.0785	7	1	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	3.14	0	1	1	0	0	0	0	0	0	0	0	1	0	0.712494054	0.105706509	0.309462087	1.710913	55.265	100.345	2.5	137.02	1
HW76.14	0.3099	0.0875	0.1332	1-mpip	CN1CCNCC1	CN1CCNCC1	0.001329806	0.000483396	0.00501213	2.059	8	4	2	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.265317502	0.096445231	0.282349145	0.64585	55.265	100.345	2.5	137.02	1
HW76.15	0.3082	0.1265	0.0363	1-mpip	CN1CCNCC1	CN1CCNCC1	0.000362402	0.000698853	0.004984635	2.0147	8	4	1	Hydrothermal	90	48	23	Human		100.165	100.165	5	2	11.97	12.27	30.74				9.33	4.86			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	26.15	39.29	3.44	4.1	8.15	5.46	110.53	200.69	274.04	237.73	36.31	259	15.04	15.27	2	2	1	1	2.49	0	1	1	0	0	0	0	0	0	0	0	1	0	0.072703822	0.140201342	0.410447761	0.179879	55.265	100.345	2.5	137.02	1
HW78.1	0.3028	0.0847	0.034	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000292579	0.000467927	0.004897299	2.0159	8	4	1	Hydrothermal	90	48	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.059742895	0.095548048	0.279722589	0.145136	69.83	132.425	3	185.57	1
HW78.2	0.3005	0.1405	0.0342	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.0002943	0.000776196	0.0048601	2.0337	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.060554281	0.1597078	0.467554077	0.144712	69.83	132.425	3	185.57	1
HW78.3	0.3048	0.081	0.0314	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000270205	0.000447487	0.004929646	2.0347	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.054812285	0.090774598	0.265748031	0.132799	69.83	132.425	3	185.57	1
HW78.4	0.142	0.0853	0.0357	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000307208	0.000471242	0.00229662	2.0781	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.133765184	0.205189421	0.600704225	0.147831	69.83	132.425	3	185.57	1
HW78.5	0.3053	0.0804	0.0304	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.0002616	0.000444172	0.004937732	2.1328	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.052979762	0.08995463	0.263347527	0.122656	69.83	132.425	3	185.57	1
HW78.6	0.3043	0.0821	0.0359	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000308929	0.000453564	0.004921559	2.1247	8	3	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.062770518	0.092158518	0.26979954	0.145399	69.83	132.425	3	185.57	1
HW78.7	0.3021	0.0922	0.2352	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.002023957	0.000509361	0.004885978	2.0726	8	4	2	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.414237881	0.104249619	0.305196955	0.97653	69.83	132.425	3	185.57	1
HW78.8	0.3007	0.1043	0.0346	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000297742	0.000576208	0.004863335	2.1084	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.061221771	0.118480031	0.346857333	0.141217	69.83	132.425	3	185.57	1
HW78.9	0.3025	0.0848	0.0351	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000302045	0.00046848	0.004892447	2.4851	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.06173692	0.095755726	0.280330579	0.121542	69.83	132.425	3	185.57	1
HW78.10	0.3076	0.0818	0.0375	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000322697	0.000451906	0.004974931	2.2375	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.064864662	0.09083668	0.265929779	0.144222	69.83	132.425	3	185.57	1
HW78.11	0.3074	0.0917	0.0301	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000259018	0.000506599	0.004971697	2.1332	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.052098576	0.101896614	0.298308393	0.121422	69.83	132.425	3	185.57	1
HW78.12	0.3015	0.081	0.0411	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000353676	0.000447487	0.004876274	2.4151	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.072530008	0.091768151	0.268656716	0.146444	69.83	132.425	3	185.57	1
HW78.13	0.302	0.1179	0.0349	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000300324	0.000651342	0.00488436	2.1612	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.061486773	0.133352494	0.390397351	0.138961	69.83	132.425	3	185.57	1
HW78.14	0.3011	0.0827	0.0342	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.0002943	0.000456878	0.004869804	2.3583	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.060433615	0.093818618	0.274659582	0.124793	69.83	132.425	3	185.57	1
HW78.15	0.3025	0.0826	0.0373	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000320976	0.000456326	0.004892447	2.2769	8	4	1	Hydrothermal	90	24	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.06560647	0.093271497	0.273057851	0.140971	69.83	132.425	3	185.57	1
HW80.1	0.3066	0.0835	0.0328	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000282253	0.000461298	0.004958758	2.0039	8	4	1	Hydrothermal	90	72	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.056920003	0.093026912	0.272341813	0.140852	69.83	132.425	3	185.57	1
HW80.2	0.307	0.0824	0.0379	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000326139	0.000455221	0.004965227	2.0789	6	2	1	Hydrothermal	90	72	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	2.86	0	0	2	0	0	0	0	0	0	0	0	0	0	0.065684675	0.091681797	0.268403909	0.156881	69.83	132.425	3	185.57	1
HW80.3	0.3073	0.0834	0.0675	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000580855	0.000460745	0.004970079	2.0323	8	4	1	Hydrothermal	90	72	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.116870374	0.09270385	0.27139603	0.285812	69.83	132.425	3	185.57	1
HW80.4	0.3071	0.0837	0.0614	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000528363	0.000462403	0.004966845	2.0457	6	4	1	Hydrothermal	90	72	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	2.86	0	0	2	0	0	0	0	0	0	0	0	0	0	0.106377989	0.093097908	0.272549658	0.25828	69.83	132.425	3	185.57	1
HW80.5	0.3084	0.0835	0.0932	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.00080201	0.000461298	0.00498787	2.0775	7	4	1	Hydrothermal	90	72	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	2.86	0	0	2	0	0	0	0	0	0	0	0	0	0	0.160792121	0.092483953	0.27075227	0.386046	69.83	132.425	3	185.57	1
HW80.6	0.306	0.082	0.0961	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.000826965	0.000453011	0.004949054	2.0194	7	2	1	Hydrothermal	90	72	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	2.86	0	0	2	0	0	0	0	0	0	0	0	0	0	0.167095664	0.091534899	0.267973856	0.40951	69.83	132.425	3	185.57	1
HW80.7	0.3072	0.0824	0.1326	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001141057	0.000455221	0.004968462	2.0767	7	2	1	Hydrothermal	90	72	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	2.86	0	0	2	0	0	0	0	0	0	0	0	0	0	0.229660091	0.091622108	0.268229167	0.549457	69.83	132.425	3	185.57	1
HW80.8	0.3062	0.0815	0.1348	tmed	CN(C)CCN(C)C	CN(C)CCN(C)C	0.001159989	0.000450249	0.004952289	2.2578	8	4	1	Hydrothermal	90	72	23	Human		116.208	116.208	6	2	14.87	14.86	38.01				9.01	4.74			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	3	2.93	0	161	74	5	28.19	46.29	3.27	5.18	10.23	6.04	139.66	264.85	371.14	275.21	95.94	358.2	12.94	6.48	2	2	0	0	1.91	0	0	2	0	0	0	0	0	0	0	0	0	0	0.234232916	0.090917336	0.266165905	0.51377	69.83	132.425	3	185.57	1
