_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 104.01	0.3095	0.0843	0.4273	"1,3-dap"	NCCCN	NCCCN	0.005764431	0.000465718	0.005005661	6.0953	3	2	2	Hydrothermal	90	24	23	Triangle		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	1.151582514	0.093038179	0.272374798	0.945717	42.99	76.16	1.5	122.595	0
XJ 104.02	0.309	0.083	0.5292	"1,3-dap"	NCCCN	NCCCN	0.007139099	0.000458536	0.004997574	6.0606	7	2	2	Hydrothermal	90	24	23	Triangle		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	1.428512939	0.091751652	0.268608414	1.177953	42.99	76.16	1.5	122.595	0
XJ 104.03	0.3094	0.0813	0.2788	"1,3-dap"	NCCCN	NCCCN	0.003761113	0.000449144	0.005004043	6.046	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.75161473	0.089756212	0.262766645	0.622083	42.99	76.16	1.5	122.595	0
XJ 104.04	0.3093	0.0833	0.4918	"1,3-dap"	NCCCN	NCCCN	0.00663456	0.000460193	0.005002426	6.0159	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.326268414	0.09199397	0.269317814	1.102837	42.99	76.16	1.5	122.595	0
XJ 104.05	0.31	0.0863	0.4581	"1,3-dap"	NCCCN	NCCCN	0.006179934	0.000476767	0.005013747	6.019	3	2	2	Hydrothermal	90	24	23	Triangle	Targeted pH (by Josh's Triangle Experiment mathematica code): 8	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	1.232597891	0.095091868	0.278387097	1.026738	42.99	76.16	1.5	122.595	0
XJ 104.06	0.3092	0.0839	0.2635	"1,3-dap"	NCCCN	NCCCN	0.00355471	0.000463508	0.005000809	6.0329	8	4	1	Hydrothermal	90	24	23	Triangle	Target pH (by Josh's Triangle Experiment mathematica code): 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	0.710827067	0.092686558	0.271345408	0.589221	42.99	76.16	1.5	122.595	0
XJ 104.07	0.3106	0.084	0.2865	"1,3-dap"	NCCCN	NCCCN	0.003864988	0.00046406	0.005023451	6.0653	3	2	1	Hydrothermal	90	24	23	Triangle		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	0.769389043	0.092378757	0.270444301	0.63723	42.99	76.16	1.5	122.595	0
XJ 104.08	0.3098	0.0843	0.2193	"1,3-dap"	NCCCN	NCCCN	0.002958436	0.000465718	0.005010513	6.3587	5	2	2	Hydrothermal	90	24	23	Triangle		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	0.590445804	0.092948084	0.272111039	0.465258	42.99	76.16	1.5	122.595	0
XJ 104.09	0.309	0.0853	0.5114	"1,3-dap"	NCCCN	NCCCN	0.006898971	0.000471242	0.004997574	6.012	7	4	1	Hydrothermal	90	24	23	Triangle		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	1.38046394	0.094294168	0.27605178	1.147533	42.99	76.16	1.5	122.595	0
XJ 104.10	0.3088	0.0854	0.4319	"1,3-dap"	NCCCN	NCCCN	0.005826487	0.000471795	0.004994339	6.035	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.166618166	0.094465855	0.276554404	0.965449	42.99	76.16	1.5	122.595	0
XJ 104.11	0.31	0.0926	0.714	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.006144155	0.000511571	0.005013747	6.0682	7	2	2	Hydrothermal	90	24	23	Triangle		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	1.225461686	0.102033685	0.298709677	1.012517	68.455	122.045	3	170.225	0
XJ 104.12	0.3091	0.0829	0.5372	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.004622745	0.000457983	0.004999191	6.0117	7	2	2	Hydrothermal	90	24	23	Triangle		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	0.924698639	0.09161146	0.268197994	0.768958	68.455	122.045	3	170.225	0
XJ 104.13	0.3092	0.0836	0.9044	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.007782597	0.00046185	0.005000809	6.0516	8	2	2	Hydrothermal	90	24	23	Triangle		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	1.556267644	0.09235514	0.270375162	1.28604	68.455	122.045	3	170.225	0
XJ 104.14	0.3092	0.0831	0.569	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.004896393	0.000459088	0.005000809	6.0041	4	2	1	Hydrothermal	90	24	23	Triangle		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	0.979120178	0.091802777	0.268758085	0.815508	68.455	122.045	3	170.225	0
XJ 104.15	0.3099	0.0866	0.9631	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.008287725	0.000478424	0.00501213	6.049	7	2	1	Hydrothermal	90	24	23	Triangle		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	1.653533608	0.095453222	0.279444982	1.370098	68.455	122.045	3	170.225	0
XJ 104.16	0.3085	0.0831	0.7328	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.006305934	0.000459088	0.004989487	6.0204	7	2	1	Hydrothermal	90	24	23	Triangle		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	1.263844119	0.092011081	0.269367909	1.047428	68.455	122.045	3	170.225	0
XJ 104.17	0.3101	0.084	0.409	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.003519551	0.00046406	0.005015365	6.0763	5	2	1	Hydrothermal	90	24	23	Triangle		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	0.701753781	0.092527707	0.270880361	0.579226	68.455	122.045	3	170.225	0
XJ 104.18	0.3112	0.0836	0.7384	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.006354124	0.00046185	0.005033155	6.0692	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.262453293	0.091761598	0.268637532	1.046946	68.455	122.045	3	170.225	0
XJ 104.19	0.3088	0.0828	0.7994	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.006879044	0.000457431	0.004994339	6.068	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.377368263	0.091589845	0.268134715	1.133659	68.455	122.045	3	170.225	0
XJ 104.20	0.3096	0.0847	0.389	"1,6-diaminohexane"	NCCCCCCN	NCCCCCCN	0.003347446	0.000467927	0.005007278	6.0779	6	2	1	Hydrothermal	90	24	23	Triangle		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	0.668516097	0.093449447	0.273578811	0.550757	68.455	122.045	3	170.225	0
XJ 108.01	0.3091	0.0834	0.4067	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.003499759	0.000460745	0.004999191	6.0074	3	4	1	Hydrothermal	90	24	23	Triangle		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	0.700065035	0.092164002	0.269815594	0.582575	69.83	132.425	3	185.57	0
XJ 108.02	0.3094	0.083	0.4818	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.004146014	0.000458536	0.005004043	6.0436	6	4	2	Hydrothermal	90	24	23	Triangle		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	0.8285328	0.091633033	0.268261151	0.686017	69.83	132.425	3	185.57	1
XJ 108.03	0.3097	0.0829	0.7723	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.006645842	0.000457983	0.005008895	6.021	8	4	2	Hydrothermal	90	24	23	Triangle		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	1.326807901	0.091433976	0.267678398	1.103777	69.83	132.425	3	185.57	1
XJ 108.04	0.3092	0.0853	0.5392	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.004639956	0.000471242	0.005000809	6.0088	4	4	1	Hydrothermal	90	24	23	Triangle		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	0.927841125	0.094233175	0.275873221	0.772193	69.83	132.425	3	185.57	0
XJ 108.05	0.3092	0.0856	0.966	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.008312681	0.000472899	0.005000809	6.0085	7	4	2	Hydrothermal	90	24	23	Triangle		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	1.662267297	0.094564593	0.276843467	1.383487	69.83	132.425	3	185.57	1
XJ 108.06	0.3096	0.0832	0.7426	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.006390266	0.000459641	0.005007278	6.0169	7	4	1	Hydrothermal	90	24	23	Triangle		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	1.276195511	0.091794498	0.26873385	1.062053	69.83	132.425	3	185.57	1
XJ 108.07	0.3088	0.083	0.5298	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.004559067	0.000458536	0.004994339	6.0798	5	4	1	Hydrothermal	90	24	23	Triangle		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	0.912846767	0.091811076	0.268782383	0.749871	69.83	132.425	3	185.57	1
XJ 108.08	0.309	0.0843	0.7833	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.0067405	0.000465718	0.004997574	6.0162	3	2	2	Hydrothermal	90	24	23	Triangle		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	1.348754376	0.093188726	0.272815534	1.120392	69.83	132.425	3	185.57	0
XJ 108.09	0.3102	0.0858	0.6381	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.005491016	0.000474004	0.005016982	6.0204	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.094485899	0.094479976	0.276595745	0.912068	69.83	132.425	3	185.57	1
XJ 108.10	0.3089	0.0842	0.7176	tmed 	CN(C)CCN(C)C	CN(C)CCN(C)C	0.006175134	0.000465165	0.004995957	6.0237	8	4	2	Hydrothermal	90	24	23	Triangle		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	1.236026385	0.093108314	0.272580123	1.02514	69.83	132.425	3	185.57	1
XJ 108.11	0.3095	0.0849	0.5453	diethylenetriamine	NCCNCCN	NCCNCCN	0.005285502	0.000469032	0.005005661	6.0481	5	2	1	Hydrothermal	90	24	23	Triangle		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	1.055905057	0.093700372	0.274313409	0.873911	38.46666667	67.93666667	1.333333333	98.12333333	0
XJ 108.12	0.3088	0.0833	0.4012	diethylenetriamine	NCCNCCN	NCCNCCN	0.003888765	0.000460193	0.004994339	6.0528	6	3	1	Hydrothermal	90	24	23	Triangle		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	0.778634528	0.092142924	0.269753886	0.642474	38.46666667	67.93666667	1.333333333	98.12333333	1
XJ 108.13	0.3088	0.0844	0.7798	diethylenetriamine	NCCNCCN	NCCNCCN	0.007558472	0.00046627	0.004994339	6.0537	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.513407789	0.093359697	0.273316062	1.248571	38.46666667	67.93666667	1.333333333	98.12333333	0
XJ 108.14	0.3091	0.0839	0.5848	diethylenetriamine	NCCNCCN	NCCNCCN	0.005668369	0.000463508	0.004999191	6.3182	2	2	1	Hydrothermal	90	24	23	Triangle		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	1.133857258	0.092716544	0.271433193	0.897149	38.46666667	67.93666667	1.333333333	98.12333333	0
XJ 108.15	0.3091	0.0827	0.4434	diethylenetriamine	NCCNCCN	NCCNCCN	0.004297803	0.000456878	0.004999191	6.0566	3	2	1	Hydrothermal	90	24	23	Triangle		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	0.859699569	0.091390443	0.267550954	0.709606	38.46666667	67.93666667	1.333333333	98.12333333	0
XJ 108.16	0.3103	0.0831	0.2656	diethylenetriamine	NCCNCCN	NCCNCCN	0.002574417	0.000459088	0.005018599	6.0242	8	3	1	Hydrothermal	90	24	23	Triangle		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	0.512975142	0.09147734	0.26780535	0.427346	38.46666667	67.93666667	1.333333333	98.12333333	1
XJ 108.17	0.3088	0.087	0.6571	diethylenetriamine	NCCNCCN	NCCNCCN	0.006369161	0.000480634	0.004994339	6.0478	8	3	1	Hydrothermal	90	24	23	Triangle		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	1.275276042	0.096235707	0.281735751	1.053137	38.46666667	67.93666667	1.333333333	98.12333333	1
XJ 108.18	0.3099	0.0829	0.4544	diethylenetriamine	NCCNCCN	NCCNCCN	0.004404424	0.000457983	0.00501213	6.0816	8	3	1	Hydrothermal	90	24	23	Triangle		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	0.878752901	0.091374967	0.267505647	0.724221	38.46666667	67.93666667	1.333333333	98.12333333	1
XJ 108.19	0.309	0.0849	0.5626	diethylenetriamine	NCCNCCN	NCCNCCN	0.005453188	0.000469032	0.004997574	6.0215	7	3	1	Hydrothermal	90	24	23	Triangle		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	1.091167127	0.093851991	0.274757282	0.90562	38.46666667	67.93666667	1.333333333	98.12333333	1
XJ 108.20	0.3102	0.0854	0.5618	diethylenetriamine	NCCNCCN	NCCNCCN	0.005445434	0.000471795	0.005016982	6.013	2	2	1	Hydrothermal	90	24	23	Triangle		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	1.085400374	0.09403951	0.275306254	0.90561	38.46666667	67.93666667	1.333333333	98.12333333	0
XJ 112.01	0.3097	0.0827	0.4161	piperazine	C1CNCCN1	C1CNCCN1	0.004830621	0.000456878	0.005008895	6.0106	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.964408375	0.091213387	0.267032612	0.803684	46.425	83.02	2	119.19	1
XJ 112.02	0.3097	0.0838	0.4512	piperazine	C1CNCCN1	C1CNCCN1	0.005238106	0.000462955	0.005008895	6.0307	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.045760776	0.092426624	0.270584437	0.868574	46.425	83.02	2	119.19	1
XJ 112.03	0.3093	0.084	0.4929	piperazine	C1CNCCN1	C1CNCCN1	0.005722213	0.00046406	0.005002426	5.9962	4	4	1	Hydrothermal	90	24	23	Triangle		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	2.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.143887623	0.092767028	0.271580989	0.954307	46.425	83.02	2	119.19	0
XJ 112.04	0.3091	0.0839	0.581	piperazine	C1CNCCN1	C1CNCCN1	0.006744991	0.000463508	0.004999191	6.0595	4	3	1	Hydrothermal	90	24	23	Triangle		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	2.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.349216333	0.092716544	0.271433193	1.113127	46.425	83.02	2	119.19	0
XJ 112.05	0.3087	0.084	0.6757	piperazine	C1CNCCN1	C1CNCCN1	0.007844389	0.00046406	0.004992722	6.0584	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.571164841	0.092947334	0.272108844	1.294796	46.425	83.02	2	119.19	1
XJ 112.06	0.3099	0.0834	0.3422	piperazine	C1CNCCN1	C1CNCCN1	0.003972695	0.000460745	0.00501213	6.0193	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.98	0	2	0	0	0	0	0	0	0	0	0	1	0	0.792616104	0.091926083	0.269119071	0.659993	46.425	83.02	2	119.19	1
XJ 112.07	0.3087	0.0839	0.6373	piperazine	C1CNCCN1	C1CNCCN1	0.007398593	0.000463508	0.004992722	6.0634	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.481875615	0.092836682	0.271784904	1.220205	46.425	83.02	2	119.19	1
XJ 112.08	0.3106	0.0867	0.4639	piperazine	C1CNCCN1	C1CNCCN1	0.005385544	0.000478976	0.005023451	6.0621	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.072080468	0.095348074	0.279137154	0.888396	46.425	83.02	2	119.19	1
XJ 112.09	0.309	0.085	0.532	piperazine	C1CNCCN1	C1CNCCN1	0.006176136	0.000469585	0.004997574	6.046	5	4	1	Hydrothermal	90	24	23	Triangle		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	2.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.235826818	0.093962535	0.275080906	1.021524	46.425	83.02	2	119.19	0
XJ 112.10	0.3098	0.0865	0.7404	piperazine	C1CNCCN1	C1CNCCN1	0.00859551	0.000477872	0.005010513	6.0665	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.98	0	2	0	0	0	0	0	0	0	0	0	1	0	1.715495011	0.095373775	0.279212395	1.416881	46.425	83.02	2	119.19	1
XJ 112.11	0.3088	0.082	1.6652	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.013194615	0.000453011	0.004994339	6.0348	7	4	2	Hydrothermal	90	24	23	Triangle		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	2.641914012	0.090704919	0.265544041	2.186421	66.78	110.615	3.5	113.94	1
XJ 112.12	0.3095	0.0839	0.4064	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.003220209	0.000463508	0.005005661	6.1211	3	2	2	Hydrothermal	90	24	23	Triangle		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	0.643313424	0.092596716	0.271082391	0.526083	66.78	110.615	3.5	113.94	0
XJ 112.13	0.3108	0.0879	1.1642	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.00922482	0.000485606	0.005026686	6.0281	6	4	2	Hydrothermal	90	24	23	Triangle		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	1.835169372	0.096605565	0.282818533	1.530303	66.78	110.615	3.5	113.94	0
XJ 112.14	0.3094	0.0834	0.6435	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.005098928	0.000460745	0.005004043	6.2298	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.018961581	0.092074638	0.269553975	0.818474	66.78	110.615	3.5	113.94	1
XJ 112.15	0.3103	0.082	0.5904	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.004678177	0.000453011	0.005018599	6.0245	7	4	1	Hydrothermal	90	24	23	Triangle		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	0.932167894	0.090266449	0.264260393	0.776525	66.78	110.615	3.5	113.94	1
XJ 112.16	0.3098	0.0873	0.5682	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.00450227	0.000482291	0.005010513	6.0384	5	4	1	Hydrothermal	90	24	23	Triangle		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	0.898564763	0.096255845	0.281794706	0.745606	66.78	110.615	3.5	113.94	0
XJ 112.17	0.31	0.0832	1.3734	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.010882467	0.000459641	0.005013747	6.0363	7	4	2	Hydrothermal	90	24	23	Triangle		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	2.170525623	0.091676054	0.268387097	1.802837	66.78	110.615	3.5	113.94	1
XJ 112.18	0.3094	0.0863	1.6834	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.013338827	0.000476767	0.005004043	6.0127	5	4	2	Hydrothermal	90	24	23	Triangle		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	2.66560983	0.095276274	0.278926955	2.218442	66.78	110.615	3.5	113.94	0
XJ 112.19	0.3098	0.0818	1.1277	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.008935604	0.000451906	0.005010513	5.9985	5	4	2	Hydrothermal	90	24	23	Triangle		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	1.783371142	0.090191616	0.264041317	1.48964	66.78	110.615	3.5	113.94	0
XJ 112.20	0.3085	0.0855	1.7386	3-aqn	NC1CN2CCC1CC2	NC1CN2CCC1CC2	0.013776218	0.000472347	0.004989487	6.0078	5	3	1	Hydrothermal	90	24	23	Triangle		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	2.761048749	0.094668441	0.277147488	2.293055	66.78	110.615	3.5	113.94	0
XJ 116.01	0.3107	0.0881	0.6054	"1,5-dap"	NCCCCCN	NCCCCCN	0.005924781	0.000486711	0.005025069	5.9841	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.179044675	0.096856536	0.283553267	0.990087	59.985	106.78	2.5	154.115	0
XJ 116.02	0.3096	0.0865	0.6397	"1,5-dap"	NCCCCCN	NCCCCCN	0.006260459	0.000477872	0.005007278	6.1208	8	2	1	Hydrothermal	90	24	23	Triangle		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	1.250271975	0.095435386	0.279392765	1.022817	59.985	106.78	2.5	154.115	0
XJ 116.03	0.3091	0.0862	0.3745	"1,5-dap"	NCCCCCN	NCCCCCN	0.003665065	0.000476214	0.004999191	5.9987	5	2	1	Hydrothermal	90	24	23	Triangle		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	0.733131559	0.095258237	0.278874151	0.610977	59.985	106.78	2.5	154.115	0
XJ 116.04	0.3096	0.0822	0.6041	"1,5-dap"	NCCCCCN	NCCCCCN	0.005912058	0.000454116	0.005007278	5.987	5	2	1	Hydrothermal	90	24	23	Triangle		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	1.180692981	0.090691199	0.265503876	0.987483	59.985	106.78	2.5	154.115	0
XJ 116.05	0.309	0.0819	0.4726	"1,5-dap"	NCCCCCN	NCCCCCN	0.004625126	0.000452459	0.004997574	6.0687	7	2	1	Hydrothermal	90	24	23	Triangle		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	0.925474242	0.090535666	0.265048544	0.762128	59.985	106.78	2.5	154.115	0
XJ 116.06	0.3103	0.0875	0.4677	"1,5-dap"	NCCCCCN	NCCCCCN	0.004577172	0.000483396	0.005018599	5.9996	5	2	1	Hydrothermal	90	24	23	Triangle		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	0.912041693	0.096320905	0.281985176	0.762913	59.985	106.78	2.5	154.115	0
XJ 116.07	0.3083	0.0857	0.455	"1,5-dap"	NCCCCCN	NCCCCCN	0.004452883	0.000473452	0.004986253	6.0537	8	2	1	Hydrothermal	90	24	23	Triangle		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	0.893031894	0.094951444	0.277975997	0.735564	59.985	106.78	2.5	154.115	0
XJ 116.08	0.3086	0.0871	0.5244	"1,5-dap"	NCCCCCN	NCCCCCN	0.00513207	0.000481186	0.004991105	5.9955	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.028243231	0.096408763	0.282242385	0.855987	59.985	106.78	2.5	154.115	0
XJ 116.09	0.3087	0.0881	0.7507	"1,5-dap"	NCCCCCN	NCCCCCN	0.007346767	0.000486711	0.004992722	5.9964	3	2	1	Hydrothermal	90	24	23	Triangle		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	1.471495317	0.097484049	0.285390347	1.225196	59.985	106.78	2.5	154.115	0
XJ 116.10	0.3093	0.0911	0.4704	"1,5-dap"	NCCCCCN	NCCCCCN	0.004603596	0.000503284	0.005002426	6.1455	7	2	1	Hydrothermal	90	24	23	Triangle		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	0.920272599	0.100608051	0.294536049	0.7491	59.985	106.78	2.5	154.115	0
XJ 116.11	0.3105	0.0807	0.1347	dmed	CNCCNC	CNCCNC	0.001528008	0.000445829	0.005021834	6.011	5	3	1	Hydrothermal	90	24	23	Triangle		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	0.304272858	0.088778174	0.259903382	0.254202	51.995	97.555	2	162.93	0
XJ 116.12	0.3102	0.0903	0.6679	dmed	CNCCNC	CNCCNC	0.007576514	0.000498865	0.005016982	6.0649	5	4	1	Hydrothermal	90	24	23	Triangle		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	1.510173598	0.099435219	0.291102515	1.24924	51.995	97.555	2	162.93	0
XJ 116.13	0.3094	0.0865	0.3831	dmed	CNCCNC	CNCCNC	0.004345804	0.000477872	0.005004043	6.0339	4	2	1	Hydrothermal	90	24	23	Triangle		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	0.868458491	0.095497077	0.279573368	0.720231	51.995	97.555	2	162.93	0
XJ 116.14	0.3094	0.0824	0.6177	dmed	CNCCNC	CNCCNC	0.007007056	0.000455221	0.005004043	6.0706	3	2	1	Hydrothermal	90	24	23	Triangle		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	1.400278805	0.090970626	0.266321913	1.154261	51.995	97.555	2	162.93	0
XJ 116.15	0.3085	0.0841	0.3438	dmed	CNCCNC	CNCCNC	0.003899993	0.000464613	0.004989487	6.0462	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.781642072	0.093118314	0.2726094	0.645032	51.995	97.555	2	162.93	1
XJ 116.16	0.3108	0.0823	0.4633	dmed	CNCCNC	CNCCNC	0.005255575	0.000454669	0.005026686	6.0587	6	3	1	Hydrothermal	90	24	23	Triangle		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	1.04553485	0.090450944	0.264800515	0.867443	51.995	97.555	2	162.93	0
XJ 116.17	0.3107	0.0832	0.3238	dmed	CNCCNC	CNCCNC	0.003673117	0.000459641	0.005025069	6.0817	6	3	1	Hydrothermal	90	24	23	Triangle		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	0.730958658	0.09146951	0.267782427	0.603962	51.995	97.555	2	162.93	0
XJ 116.18	0.3094	0.086	0.2657	dmed	CNCCNC	CNCCNC	0.003014044	0.000475109	0.005004043	6.0183	4	2	1	Hydrothermal	90	24	23	Triangle		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	0.602321642	0.09494507	0.277957337	0.500813	51.995	97.555	2	162.93	0
XJ 116.19	0.3106	0.089	0.2805	dmed	CNCCNC	CNCCNC	0.003181932	0.000491683	0.005023451	5.9903	7	4	1	Hydrothermal	90	24	23	Triangle	spill some right before vaccum filtration!	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	0.633415428	0.097877492	0.286542176	0.531181	51.995	97.555	2	162.93	1
XJ 116.20	0.3108	0.0815	0.2581	dmed	CNCCNC	CNCCNC	0.002927831	0.000450249	0.005026686	6.0606	5	2	1	Hydrothermal	90	24	23	Triangle		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	0.582457468	0.089571712	0.262226512	0.483093	51.995	97.555	2	162.93	0
XJ 120.01	0.3103	0.0835	1.2667	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.010122668	0.000461298	0.005018599	6.0283	6	2	1	Hydrothermal	90	24	23	Triangle		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	-0.0492	3	0	2	0	3	0	0	0	0	0	0	0	0	2.017030399	0.091917664	0.269094425	1.679191	21.286	33.18	0.8	53.1	2
XJ 120.02	0.3095	0.085	0.4542	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.00362968	0.000469585	0.005005661	5.9929	7	4	1	Hydrothermal	90	24	23	Triangle		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	-0.889	3	0	2	0	3	0	0	0	0	0	0	0	0	0.72511506	0.093810738	0.274636511	0.605663	21.286	33.18	0.8	53.1	2
XJ 120.03	0.3088	0.0846	1.8966	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.015156431	0.000467375	0.004994339	6.0322	3	4	1	Hydrothermal	90	24	23	Triangle		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	0.645	3	0	2	0	3	0	0	0	0	0	0	0	0	3.03472193	0.093580929	0.273963731	2.512588	21.286	33.18	0.8	53.1	2
XJ 120.04	0.3101	0.0835	2.0244	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.016177728	0.000461298	0.005015365	6.0027	8	4	1	Hydrothermal	90	24	23	Triangle		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	3.225633427	0.091976947	0.269267978	2.695075	21.286	33.18	0.8	53.1	3
XJ 120.05	0.3101	0.0846	0.5041	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.004028449	0.000467375	0.005015365	6.0106	5	4	1	Hydrothermal	90	24	23	Triangle		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	0.645	3	0	2	0	3	0	0	0	0	0	0	0	0	0.803221602	0.093188619	0.272815221	0.670224	21.286	33.18	0.8	53.1	2
XJ 120.06	0.3093	0.0855	1.7698	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.014143125	0.000472347	0.005002426	6.0256	8	3	1	Hydrothermal	90	24	23	Triangle		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	2.827253298	0.094423582	0.27643065	2.347173	21.286	33.18	0.8	53.1	3
XJ 120.07	0.3088	0.0822	1.0156	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.008116035	0.000454116	0.004994339	6.0194	6	2	1	Hydrothermal	90	24	23	Triangle		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	-0.0492	3	0	2	0	3	0	0	0	0	0	0	0	0	1.625046711	0.09092615	0.26619171	1.348313	21.286	33.18	0.8	53.1	2
XJ 120.08	0.3104	0.083	2.241	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.017908659	0.000458536	0.005020217	6.1012	6	2	1	Hydrothermal	90	24	23	Triangle		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	-0.0492	3	0	2	0	3	0	0	0	0	0	0	0	0	3.567307875	0.091337824	0.267396907	2.935268	21.286	33.18	0.8	53.1	2
XJ 120.09	0.3095	0.0855	1.4172	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.011325369	0.000472347	0.005005661	6.0021	7	2	1	Hydrothermal	90	24	23	Triangle		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	-0.889	3	0	2	0	3	0	0	0	0	0	0	0	0	2.262512248	0.094362566	0.276252019	1.886901	21.286	33.18	0.8	53.1	2
XJ 120.10	0.3104	0.0838	0.4702	"2,4,6-tapyr"	Nc1cc(N)nc(N)n1	Nc1cc(N)nc(N)n1	0.003757542	0.000462955	0.005020217	6.0408	3	3	1	Hydrothermal	90	24	23	Triangle		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	0.645	3	0	2	0	3	0	0	0	0	0	0	0	0	0.748482	0.092218188	0.269974227	0.622027	21.286	33.18	0.8	53.1	2
XJ 120.11	0.3096	0.0857	0.7393	teta	NCCNCCNCCN	NCCNCCNCCN	0.005055458	0.000473452	0.005007278	6.0275	8	2	2	Hydrothermal	90	24	23	Triangle		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	1.009621899	0.094552747	0.276808786	0.838732	40.45	71.555	1.5	97.6	2
XJ 120.12	0.3096	0.0813	0.7347	teta	NCCNCCNCCN	NCCNCCNCCN	0.005024002	0.000449144	0.005007278	6.0223	8	2	2	Hydrothermal	90	24	23	Triangle		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	1.003339928	0.08969823	0.262596899	0.834233	40.45	71.555	1.5	97.6	2
XJ 120.13	0.3095	0.0824	0.2898	teta	NCCNCCNCCN	NCCNCCNCCN	0.001981701	0.000455221	0.005005661	6.0225	4	4	1	Hydrothermal	90	24	23	Triangle		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	0.395892009	0.090941233	0.266235864	0.32905	40.45	71.555	1.5	97.6	0
XJ 120.14	0.3102	0.0815	0.8212	teta	NCCNCCNCCN	NCCNCCNCCN	0.005615503	0.000450249	0.005016982	6.0345	8	2	2	Hydrothermal	90	24	23	Triangle		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	1.119299101	0.089744965	0.26273372	0.930566	40.45	71.555	1.5	97.6	2
XJ 120.15	0.3099	0.0826	0.8863	teta	NCCNCCNCCN	NCCNCCNCCN	0.006060668	0.000456326	0.00501213	6.0454	6	2	1	Hydrothermal	90	24	23	Triangle		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	1.209200117	0.091044298	0.266537593	1.002526	40.45	71.555	1.5	97.6	1
XJ 120.16	0.3102	0.0839	0.3872	teta	NCCNCCNCCN	NCCNCCNCCN	0.002647739	0.000463508	0.005016982	6.043	7	4	1	Hydrothermal	90	24	23	Triangle		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	0.527755251	0.092387762	0.270470664	0.43815	40.45	71.555	1.5	97.6	2
XJ 120.18	0.3098	0.0838	0.6991	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.006232171	0.000462955	0.005010513	6.0572	3	3	1	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	1.243818997	0.09239679	0.270497095	1.028886	58.875	101.71	3	119.57	0
XJ 120.19	0.3097	0.0841	0.5348	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.004767508	0.000464613	0.005008895	6.0132	5	2	2	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	0.951808305	0.092757507	0.271553116	0.79284	58.875	101.71	3	119.57	1
XJ 120.20	0.3097	0.0872	1.0687	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.009526993	0.000481739	0.005008895	6.0116	7	3	2	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	1.902014839	0.096176631	0.281562803	1.584768	58.875	101.71	3	119.57	1
XJ 124.01	0.3105	0.0843	0.4115	"1,4-dab"	NCCCCN	NCCCCN	0.004667967	0.000465718	0.005021834	5.998	5	2	2	Hydrothermal	90	24	23	Triangle		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	0.929534382	0.092738539	0.271497585	0.778254	51.475	91.505	2	138.285	0
XJ 124.02	0.3103	0.0855	0.4341	"1,4-dab"	NCCCCN	NCCCCN	0.004924337	0.000472347	0.005018599	6.0008	7	2	1	Hydrothermal	90	24	23	Triangle		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	0.981217383	0.094119285	0.2755398	0.820613	51.475	91.505	2	138.285	0
XJ 124.03	0.3108	0.0836	0.4542	"1,4-dab"	NCCCCN	NCCCCN	0.005152347	0.00046185	0.005026686	6.0289	7	2	2	Hydrothermal	90	24	23	Triangle		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	1.024998767	0.091879695	0.268983269	0.854608	51.475	91.505	2	138.285	0
XJ 124.04	0.3098	0.0826	0.1931	"1,4-dab"	NCCCCN	NCCCCN	0.002190485	0.000456326	0.005010513	6.1471	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.437177783	0.091073686	0.266623628	0.356344	51.475	91.505	2	138.285	0
XJ 124.05	0.3103	0.0863	0.378	"1,4-dab"	NCCCCN	NCCCCN	0.004287951	0.000476767	0.005018599	6.0701	5	2	1	Hydrothermal	90	24	23	Triangle		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	0.854411819	0.094999933	0.27811795	0.706405	51.475	91.505	2	138.285	0
XJ 124.06	0.3082	0.0824	0.5367	"1,4-dab"	NCCCCN	NCCCCN	0.006088209	0.000455221	0.004984635	6.0581	4	3	1	Hydrothermal	90	24	23	Triangle		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	1.22139513	0.091324827	0.267358858	1.00497	51.475	91.505	2	138.285	0
XJ 124.07	0.3105	0.084	0.5674	"1,4-dab"	NCCCCN	NCCCCN	0.006436463	0.00046406	0.005021834	6.0259	8	3	2	Hydrothermal	90	24	23	Triangle		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	1.281695768	0.092408508	0.270531401	1.068133	51.475	91.505	2	138.285	0
XJ 124.08	0.3095	0.0862	0.2339	"1,4-dab"	NCCCCN	NCCCCN	0.002653311	0.000476214	0.005005661	6.0746	7	2	1	Hydrothermal	90	24	23	Triangle		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	0.530062147	0.095135125	0.278513732	0.436788	51.475	91.505	2	138.285	0
XJ 124.09	0.3096	0.0822	0.6872	"1,4-dab"	NCCCCN	NCCCCN	0.007795449	0.000454116	0.005007278	6.0758	2	2	2	Hydrothermal	90	24	23	Triangle		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	1.556823656	0.090691199	0.265503876	1.283033	51.475	91.505	2	138.285	0
XJ 124.10	0.3089	0.0827	0.8095	"1,4-dab"	NCCCCN	NCCCCN	0.009182794	0.000456878	0.004995957	5.9851	7	2	2	Hydrothermal	90	24	23	Triangle		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	1.838045119	0.091449615	0.267724183	1.534276	51.475	91.505	2	138.285	0
XJ 124.11	0.3088	0.0876	0.5971	teta	NCCNCCNCCN	NCCNCCNCCN	0.00408307	0.000483948	0.004994339	5.9979	4	2	1	Hydrothermal	90	24	23	Triangle	amine(teta) mass is what XJ 120.17 originally shoots for	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	0.817539579	0.096899401	0.283678756	0.68075	40.45	71.555	1.5	97.6	0
XJ 124.12	0.311	0.0829	1.0039	teta	NCCNCCNCCN	NCCNCCNCCN	0.006864837	0.000457983	0.005029921	6.0204	5	4	1	Hydrothermal	90	24	23	Triangle		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	1.364800185	0.091051776	0.266559486	1.140263	40.45	71.555	1.5	97.6	1
XJ 124.13	0.3081	0.0857	0.7298	teta	NCCNCCNCCN	NCCNCCNCCN	0.004990495	0.000473452	0.004983018	6.0762	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.001500495	0.095013081	0.278156443	0.821318	40.45	71.555	1.5	97.6	0
XJ 124.14	0.3087	0.0837	0.6099	teta	NCCNCCNCCN	NCCNCCNCCN	0.004170599	0.000462403	0.004992722	6.0348	6	4	1	Hydrothermal	90	24	23	Triangle		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	0.835335641	0.092615379	0.271137026	0.691091	40.45	71.555	1.5	97.6	1
XJ 127.01	0.3113	0.0842	0.5113	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.005800077	0.000465165	0.005034773	6.052	5	2	2	Hydrothermal	90	24	23	Triangle		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	1.152003757	0.092390486	0.270478638	0.958374	51.77	94.495	2	150.77	0
XJ 127.02	0.3119	0.0848	0.72	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.008167525	0.00046848	0.005044477	6.0944	4	2	2	Hydrothermal	90	24	23	Triangle		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	1.619102506	0.092869853	0.271882013	1.340169	51.77	94.495	2	150.77	0
XJ 127.03	0.3073	0.0815	0.3438	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.003899993	0.000450249	0.004970079	6.0551	3	2	2	Hydrothermal	90	24	23	Triangle		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	0.784694368	0.090591891	0.265213147	0.644084	51.77	94.495	2	150.77	0
XJ 127.04	0.3086	0.0834	0.311	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.003527917	0.000460745	0.004991105	6.016	8	4	2	Hydrothermal	90	24	23	Triangle		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	0.706840932	0.092313328	0.270252754	0.586422	51.77	94.495	2	150.77	0
XJ 127.05	0.3085	0.0821	0.3429	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.003889784	0.000453564	0.004989487	6.0023	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.779595888	0.090903848	0.266126418	0.648049	51.77	94.495	2	150.77	0
XJ 127.06	0.3105	0.0838	0.503	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.005705924	0.000462955	0.005021834	6.0364	5	2	2	Hydrothermal	90	24	23	Triangle		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	1.136223072	0.092188488	0.269887279	0.945253	51.77	94.495	2	150.77	0
XJ 127.07	0.3078	0.0825	0.3047	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.003456451	0.000455773	0.004978166	6.0926	2	2	2	Hydrothermal	90	24	23	Triangle		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	0.694322217	0.091554482	0.268031189	0.56732	51.77	94.495	2	150.77	0
XJ 127.08	0.3111	0.0892	0.6792	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.007704699	0.000492788	0.005031538	6.0308	3	2	2	Hydrothermal	90	24	23	Triangle		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	1.531280984	0.09793978	0.286724526	1.277558	51.77	94.495	2	150.77	0
XJ 127.09	0.3102	0.0886	0.3392	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.003847812	0.000489473	0.005016982	6.0445	7	4	1	Hydrothermal	90	24	23	Triangle		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	0.766957455	0.097563238	0.285622179	0.636581	51.77	94.495	2	150.77	0
XJ 127.10	0.3105	0.0883	0.4933	"N-methyl-1,3-diaminopropane"	CNCCCN	CNCCCN	0.005595889	0.000487816	0.005021834	6.0498	7	4	2	Hydrothermal	90	24	23	Triangle		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	1.114311812	0.097138944	0.284380032	0.924971	51.77	94.495	2	150.77	0
XJ 129.01	0.3084	0.0835	0.3734	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.001972457	0.000461298	0.00498787	6.0059	2	2	2	Hydrothermal	90	24	23	Triangle		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	0.395450854	0.092483953	0.27075227	0.32842	41.644	73.616	1.6	94.534	0
XJ 129.02	0.3088	0.0855	0.1723	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.000910162	0.000472347	0.004994339	6.0103	7	3	1	Hydrothermal	90	24	23	Triangle		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	0.182238679	0.09457647	0.276878238	0.151434	41.644	73.616	1.6	94.534	1
XJ 129.03	0.3114	0.0879	0.2653	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.001401427	0.000485606	0.00503639	6.0101	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.278260278	0.096419427	0.282273603	0.233179	41.644	73.616	1.6	94.534	1
XJ 129.04	0.3089	0.0819	0.2389	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.001261971	0.000452459	0.004995957	6.0243	6	3	1	Hydrothermal	90	24	23	Triangle		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	0.252598528	0.090564975	0.265134348	0.20948	41.644	73.616	1.6	94.534	1
XJ 129.05	0.3107	0.0859	0.6116	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.003230731	0.000474557	0.005025069	6.0131	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.642922755	0.094437871	0.276472481	0.537282	41.644	73.616	1.6	94.534	1
XJ 129.06	0.3078	0.0833	0.4783	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.002526584	0.000460193	0.004978166	6.0039	6	4	1	Hydrothermal	90	24	23	Triangle		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	0.507533062	0.092442283	0.270630279	0.420824	41.644	73.616	1.6	94.534	1
XJ 129.07	0.3089	0.0898	0.3644	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.001924916	0.000496102	0.004995957	5.9871	5	2	2	Hydrothermal	90	24	23	Triangle		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	0.385294699	0.099300791	0.290708967	0.321511	41.644	73.616	1.6	94.534	1
XJ 129.08	0.3109	0.0969	0.3785	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.001999398	0.000535327	0.005028303	6.0437	3	2	2	Hydrothermal	90	24	23	Triangle		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	0.397628711	0.106462665	0.31167578	0.330823	41.644	73.616	1.6	94.534	0
XJ 129.09	0.3104	0.0843	0.4775	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.002522358	0.000465718	0.005020217	6.0369	6	3	1	Hydrothermal	90	24	23	Triangle		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	0.502440034	0.092768416	0.271585052	0.417823	41.644	73.616	1.6	94.534	1
XJ 129.10	0.3104	0.0855	0.1851	tetraethyelenpentamine	NCCNCCNCCNCCN	NCCNCCNCCNCCN	0.000977777	0.000472347	0.005020217	5.9924	3	3	1	Hydrothermal	90	24	23	Triangle		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	0.194767854	0.094088963	0.275451031	0.163169	41.644	73.616	1.6	94.534	0
XJ 129.11	0.3108	0.0868	0.5658	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.008310933	0.000479529	0.005026686	6.0338	6	2	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	9.13E-01	0	1	1	0	0	1	0	0	0	0	0	0	0	1.653362228	0.095396621	0.279279279	1.377396	30.795	51.85	1.5	107.395	0
XJ 129.12	0.3123	0.0879	0.3648	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.005358481	0.000485606	0.005050946	6.0481	8	2	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	-5.99E-02	0	1	1	0	0	1	0	0	0	0	0	0	0	1.060886503	0.096141561	0.281460134	0.885978	30.795	51.85	1.5	107.395	1
XJ 129.13	0.3095	0.0855	0.3281	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.004819401	0.000472347	0.005005661	6.1136	7	2	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	1.87E-01	0	1	1	0	0	1	0	0	0	0	0	0	0	0.962790188	0.094362566	0.276252019	0.788308	30.795	51.85	1.5	107.395	1
XJ 129.14	0.3086	0.0896	0.4349	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.006388167	0.000494998	0.004991105	5.9792	7	2	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	1.87E-01	0	1	1	0	0	1	0	0	0	0	0	0	0	1.27991039	0.099175949	0.290343487	1.068398	30.795	51.85	1.5	107.395	1
XJ 129.15	0.3105	0.0789	0.3852	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.005658132	0.000435885	0.005021834	6.0017	6	2	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	9.13E-01	0	1	1	0	0	1	0	0	0	0	0	0	0	1.126706378	0.086797992	0.25410628	0.942755	30.795	51.85	1.5	107.395	0
XJ 129.16	0.3084	0.0828	0.523	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.007682252	0.000457431	0.00498787	6.0182	7	3	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	1.87E-01	0	1	1	0	0	1	0	0	0	0	0	0	0	1.540186804	0.091708639	0.26848249	1.276503	30.795	51.85	1.5	107.395	1
XJ 129.17	0.3075	0.0818	0.3083	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.004528562	0.000451906	0.004973314	6.0046	3	2	2	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	1.90E+00	0	1	1	0	0	1	0	0	0	0	0	0	0	0.910572402	0.09086622	0.26601626	0.754182	30.795	51.85	1.5	107.395	0
XJ 129.18	0.3092	0.0939	0.1388	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.002038808	0.000518753	0.005000809	5.9918	6	2	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	9.13E-01	0	1	1	0	0	1	0	0	0	0	0	0	0	0.407695633	0.103733824	0.303686934	0.340266	30.795	51.85	1.5	107.395	0
XJ 129.19	0.3096	0.0838	0.3648	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.005358481	0.000462955	0.005007278	6.0654	5	2	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	1.87E+00	0	1	1	0	0	1	0	0	0	0	0	0	0	1.07013842	0.092456478	0.270671835	0.88345	30.795	51.85	1.5	107.395	0
XJ 129.20	0.3097	0.084	0.093	imidazole	[nH]1ccnc1	c1c[nH]cn1	0.00136606	0.00046406	0.005008895	6.2261	6	2	1	Hydrothermal	90	24	23	Triangle		68.079	68.079	3	2	6.56	7.14	19.01	10.18	13.4		6.97				0	1	0	5	9	0	0	0	0	0	5	5	5	0	0	1	0	1.67	1	20	15	0	14.98	26.59	2.92	3.25	6.36	3.4	61.59	103.7	214.79	150.4	64.38	152.95	61.83	28.68	1	1	1	1	9.13E-01	0	1	1	0	0	1	0	0	0	0	0	0	0	0.272726803	0.092647213	0.271230223	0.219409	30.795	51.85	1.5	107.395	0
XJ 133.01	0.3108	0.0813	0.5368	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.004700855	0.000449144	0.005026686	5.9961	3	2	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	0.935179685	0.089351905	0.261583012	0.783985	63.21	109.3	3	130.245	0
XJ 133.02	0.3055	0.0847	0.5799	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.005078289	0.000467927	0.004940967	6.0744	5	2	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	1.02779254	0.094703597	0.277250409	0.836015	63.21	109.3	3	130.245	0
XJ 133.03	0.3077	0.0808	0.542	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.004746392	0.000446382	0.004976549	6.0397	7	4	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	0.953751771	0.089697047	0.262593435	0.785866	63.21	109.3	3	130.245	0
XJ 133.04	0.3093	0.0809	0.6997	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.006127399	0.000446934	0.005002426	6.0955	5	2	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	1.224885577	0.089343483	0.261558358	1.005233	63.21	109.3	3	130.245	0
XJ 133.05	0.3093	0.0855	0.737	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.006454042	0.000472347	0.005002426	6.0436	5	2	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	1.290182465	0.094423582	0.27643065	1.067914	63.21	109.3	3	130.245	0
XJ 133.06	0.3084	0.0863	0.5819	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.005095804	0.000476767	0.00498787	5.9983	8	4	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	1.021639215	0.095585211	0.279831388	0.849541	63.21	109.3	3	130.245	0
XJ 133.07	0.3086	0.0868	0.1776	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.001555275	0.000479529	0.004991105	6.1304	8	4	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	0.311609441	0.096076701	0.281270253	0.253699	63.21	109.3	3	130.245	0
XJ 133.08	0.3114	0.0865	0.8024	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.007026762	0.000477872	0.00503639	6.1012	3	2	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	1.395198109	0.094883736	0.277777778	1.151702	63.21	109.3	3	130.245	0
XJ 133.09	0.3086	0.0857	0.332	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.002907384	0.000473452	0.004991105	6.0477	6	4	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	0.582513144	0.094859139	0.277705768	0.480742	63.21	109.3	3	130.245	0
XJ 133.10	0.3114	0.0857	0.6109	4-(Aminomethyl)piperidine	NCC1CCNCC1	NCC1CCNCC1	0.005349762	0.000473452	0.00503639	5.9996	6	4	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.75	14.12	34.89				10.59	9.96			1	0	8	0	22	0	0	0	2	0	6	6	6	1	1	0	1	2.13	1	122	64	7	27.9	42.53	3.65	4.55	9.1	5.87	126.42	218.6	260.49	197.32	63.17	243.07	17.41	38.05	2	2	2	3	2.64	1	1	0	0	0	0	0	0	0	0	1	0	0	1.062221491	0.094006199	0.275208735	0.891686	63.21	109.3	3	130.245	0
XJ 133.11	0.309	0.0864	0.8043	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.006175759	0.000477319	0.004997574	6.0725	6	4	2	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	1.235751429	0.095510153	0.27961165	1.017004	78.315	147.615	3.5	202.885	0
XJ 133.12	0.3085	0.0839	0.5715	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.004388221	0.000463508	0.004989487	6.0796	8	4	2	Hydrothermal	90	24	23	Triangle		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	0.879493428	0.092896868	0.271961102	0.721794	78.315	147.615	3.5	202.885	1
XJ 133.13	0.3089	0.0911	0.382	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.002933159	0.000503284	0.004995957	6.0786	4	2	1	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	0.587106633	0.10073833	0.294917449	0.482539	78.315	147.615	3.5	202.885	0
XJ 133.14	0.3122	0.0886	0.5619	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.004314508	0.000489473	0.005049329	6.0496	1	2	2	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	0.854471665	0.096938234	0.283792441	0.713189	78.315	147.615	3.5	202.885	0
XJ 133.15	0.3096	0.0827	0.8965	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.00688371	0.000456878	0.005007278	6.0346	3	2	1	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	1.374740965	0.091242849	0.267118863	1.140707	78.315	147.615	3.5	202.885	0
XJ 133.16	0.3083	0.093	0.6267	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.00481207	0.000513781	0.004986253	6.0085	7	4	2	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	0.965067526	0.103039491	0.301654233	0.800877	78.315	147.615	3.5	202.885	0
XJ 133.17	0.308	0.0849	0.3481	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.002672861	0.000469032	0.004981401	6.0417	4	2	1	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	0.536568087	0.094156705	0.275649351	0.442402	78.315	147.615	3.5	202.885	0
XJ 133.18	0.3125	0.0868	0.6001	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.004607824	0.000479529	0.005054181	6.0662	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	0.911685688	0.094877664	0.27776	0.75959	78.315	147.615	3.5	202.885	0
XJ 133.19	0.3118	0.0808	0.5055	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.003881445	0.000446382	0.005042859	6.044	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	0.769691306	0.088517579	0.259140475	0.642198	78.315	147.615	3.5	202.885	0
XJ 133.20	0.3081	0.0928	0.6933	"N,N,N',N'-tetramethyl-1,3-propanediamine"	CN(C)CCCN(C)C	CN(C)CCCN(C)C	0.005323454	0.000512676	0.004983018	6.0204	4	3	1	Hydrothermal	90	24	23	Triangle		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	2.61	0	0	2	0	0	0	0	0	0	0	0	0	0	1.068319201	0.102884643	0.301200909	0.884236	78.315	147.615	3.5	202.885	0
XJ 133.21	0.3092	0.0823	0.2833	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.003821819	0.000454669	0.005000809	6.0841	6	2	2	Hydrothermal	90	24	23	Triangle		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	2.56	2	0	0	0	0	0	0	0	0	0	0	0	0	0.764240259	0.090918995	0.266170763	0.628165	43.025	75.165	1.5	115.245	0
XJ 133.22	0.3092	0.0859	0.317	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.004276444	0.000474557	0.005000809	6.0783	5	2	2	Hydrothermal	90	24	23	Triangle		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	2.56	2	0	0	0	0	0	0	0	0	0	0	0	0	0.855150589	0.094896011	0.277813713	0.703559	43.025	75.165	1.5	115.245	0
XJ 133.23	0.3122	0.0834	0.4314	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.005819742	0.000460745	0.005049329	6.0483	6	2	1	Hydrothermal	90	24	23	Triangle		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	2.56	2	0	0	0	0	0	0	0	0	0	0	0	0	1.152577307	0.091248857	0.267136451	0.962211	43.025	75.165	1.5	115.245	0
XJ 133.24	0.3083	0.0882	0.3746	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.005053489	0.000487263	0.004986253	6.048	7	2	2	Hydrothermal	90	24	23	Triangle		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	2.56	2	0	0	0	0	0	0	0	0	0	0	0	0	1.013484406	0.097721323	0.286084982	0.835564	43.025	75.165	1.5	115.245	0
XJ 133.25	0.3083	0.0811	0.5997	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.00809017	0.000448039	0.004986253	6.0447	6	2	2	Hydrothermal	90	24	23	Triangle		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	2.56	2	0	0	0	0	0	0	0	0	0	0	0	0	1.622494923	0.089854868	0.263055465	1.338391	43.025	75.165	1.5	115.245	0
XJ 133.26	0.3088	0.0831	0.2476	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.003340213	0.000459088	0.004994339	6.0816	7	2	2	Hydrothermal	90	24	23	Triangle		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	2.56	2	0	0	0	0	0	0	0	0	0	0	0	0	0.668799856	0.091921692	0.269106218	0.549233	43.025	75.165	1.5	115.245	0
XJ 133.27	0.3097	0.0842	0.6512	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.008784923	0.000465165	0.005008895	6.0039	5	2	2	Hydrothermal	90	24	23	Triangle		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	2.56	2	0	0	0	0	0	0	0	0	0	0	0	0	1.753864384	0.092867802	0.271876009	1.463203	43.025	75.165	1.5	115.245	0
XJ 133.28	0.3082	0.0873	0.1828	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.002466038	0.000482291	0.004984635	6.053	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.494727873	0.09675555	0.283257625	0.407408	43.025	75.165	1.5	115.245	1
XJ 133.29	0.3113	0.0859	0.1347	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.001817152	0.000474557	0.005034773	6.0248	7	3	2	Hydrothermal	90	24	23	Triangle		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	2.56	2	0	0	0	0	0	0	0	0	0	0	0	0	0.36092029	0.094255852	0.275939608	0.301612	43.025	75.165	1.5	115.245	0
XJ 133.30	0.3098	0.0829	0.6164	"1,2-diaminopropane"	CC(N)CN	CC(N)CN	0.008315459	0.000457983	0.005010513	6.0689	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.659602342	0.091404462	0.267591995	1.370176	43.025	75.165	1.5	115.245	1
XJ 138.01	0.3084	0.0916	0.3958	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.00395148	0.000506047	0.00498787	6.0237	6	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	0.792217938	0.10145545	0.297016861	0.655989	54.655	93.715	2.5	114.89	0
XJ 138.02	0.3102	0.0928	0.4328	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.004320871	0.000512676	0.005016982	6.0413	4	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	0.861248959	0.102188132	0.299161831	0.715222	54.655	93.715	2.5	114.89	0
XJ 138.03	0.3103	0.0801	0.7868	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.007855039	0.000442515	0.005018599	6.0727	8	4	2	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	1.565185539	0.088174909	0.258137286	1.2935	54.655	93.715	2.5	114.89	0
XJ 138.04	0.3117	0.087	0.4193	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.004186093	0.000480634	0.005041242	6.0614	8	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	0.830369352	0.095340347	0.279114533	0.690615	54.655	93.715	2.5	114.89	0
XJ 138.05	0.3099	0.0817	0.4928	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.004919882	0.000451354	0.00501213	6.0738	5	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	0.981595083	0.09005229	0.26363343	0.810017	54.655	93.715	2.5	114.89	0
XJ 138.06	0.3098	0.0845	0.2618	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.002613687	0.000466822	0.005010513	6.0376	6	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	0.521640713	0.093168601	0.272756617	0.432902	54.655	93.715	2.5	114.89	0
XJ 138.07	0.3107	0.0825	0.4705	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.00469725	0.000455773	0.005025069	6.016	4	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	0.934763241	0.090699935	0.26552945	0.780793	54.655	93.715	2.5	114.89	0
XJ 138.08	0.3094	0.0866	0.6848	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.006836719	0.000478424	0.005004043	6.0433	6	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	1.366239048	0.095607478	0.279896574	1.131289	54.655	93.715	2.5	114.89	0
XJ 138.09	0.3089	0.0867	0.5557	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.005547846	0.000478976	0.004995957	6.0511	6	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	1.110467211	0.095872813	0.280673357	0.916833	54.655	93.715	2.5	114.89	0
XJ 138.10	0.3075	0.0839	0.4012	4-aminopipieridine	NC1CCNCC1	NC1CCNCC1	0.004005391	0.000463508	0.004973314	6.0504	8	4	1	Hydrothermal	90	24	23	Triangle		100.165	100.165	5	2	11.71	12.27	30.08				10.31	8.4			1	0	7	0	19	0	0	0	1	0	6	6	6	1	1	0	0	1.82	1	71	42	5	27.16	37.22	3.56	3.93	7.5	5.44	109.31	187.43	229.78	173.72	56.06	213.29	16.49	38.05	2	2	2	3	2.47	1	1	0	0	0	0	0	0	0	0	1	0	0	0.805376689	0.093198971	0.272845528	0.662004	54.655	93.715	2.5	114.89	0
XJ 138.11	0.3077	0.0853	0.379	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.002910124	0.000471242	0.004976549	6.0217	7	4	2	Hydrothermal	90	24	23	Triangle		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	0.584767525	0.09469255	0.27721807	0.483273	77.89	144.285	3.5	163.155	0
XJ 138.12	0.3094	0.083	1.1613	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.008916958	0.000458536	0.005004043	6.0304	7	2	2	Hydrothermal	90	24	23	Triangle		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	1.781950553	0.091633033	0.268261151	1.478668	77.89	144.285	3.5	163.155	0
XJ 138.14	0.3125	0.0909	0.8559	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.006571966	0.000502179	0.005054181	6.051	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.300302917	0.099359212	0.29088	1.086096	77.89	144.285	3.5	163.155	0
XJ 138.15	0.3087	0.0856	0.8447	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.006485968	0.000472899	0.004992722	6.0482	3	2	2	Hydrothermal	90	24	23	Triangle		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	1.299084487	0.094717759	0.277291869	1.07238	77.89	144.285	3.5	163.155	0
XJ 138.16	0.3073	0.0857	1.0294	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.007904173	0.000473452	0.004970079	6.0388	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.590351547	0.095260431	0.278880573	1.308898	77.89	144.285	3.5	163.155	0
XJ 138.17	0.3065	0.0835	0.9226	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.007084117	0.000461298	0.004957141	6.011	6	2	1	Hydrothermal	90	24	23	Triangle		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	1.429073295	0.093057263	0.272430669	1.178526	77.89	144.285	3.5	163.155	0
XJ 138.18	0.3087	0.0859	0.7409	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.005688947	0.000474557	0.004992722	6.0051	7	2	2	Hydrothermal	90	24	23	Triangle		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	1.139447966	0.095049714	0.278263686	0.947353	77.89	144.285	3.5	163.155	0
XJ 138.19	0.3104	0.0865	0.6902	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.005299651	0.000477872	0.005020217	6.0412	8	3	2	Hydrothermal	90	24	23	Triangle		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	1.055661722	0.095189418	0.27867268	0.877251	77.89	144.285	3.5	163.155	0
XJ 138.20	0.3116	0.0864	0.3844	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.002951588	0.000477319	0.005039625	6.0459	6	4	2	Hydrothermal	90	24	23	Triangle		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	0.585676046	0.094713214	0.277278562	0.488197	77.89	144.285	3.5	163.155	0
XJ 138.21	0.308	0.0924	1.2855	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.008230466	0.000510466	0.004981401	6.0772	5	4	1	Hydrothermal	90	24	23	Triangle	"original pH aimed at: 7; as base added, solids precipate out of solution, pH=7 cannot be reached for the 1.2855g of 4,4'-dipyridyl added"	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	-0.941	0	0	2	0	0	0	0	0	0	0	0	0	2	1.652239297	0.102474435	0.3	1.354319	72.02	114.035	5	164.785	1
XJ 138.22	0.3082	0.0836	0.5918	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.003789023	0.00046185	0.004984635	6.021	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.760140565	0.0926548	0.271252433	0.629301	72.02	114.035	5	164.785	2
XJ 138.23	0.3093	0.0848	1.0205	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.006533793	0.00046848	0.005002426	6.0375	5	4	1	Hydrothermal	90	24	23	Triangle		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	-0.941	0	0	2	0	0	0	0	0	0	0	0	0	2	1.306124788	0.093650524	0.274167475	1.082202	72.02	114.035	5	164.785	1
XJ 138.24	0.3107	0.0836	0.2648	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.001695393	0.00046185	0.005025069	6.0678	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.337386973	0.091909267	0.269069842	0.279408	72.02	114.035	5	164.785	2
XJ 138.25	0.3076	0.0978	1.1548	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.007393654	0.000540299	0.004974931	6.0813	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.486182102	0.108604245	0.317945384	1.215802	72.02	114.035	5	164.785	2
XJ 138.26	0.3067	0.0886	0.5048	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.003232002	0.000489473	0.004960375	6.0587	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.651564108	0.098676611	0.288881643	0.533448	72.02	114.035	5	164.785	2
XJ 138.27	0.3117	0.0859	1.0138	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.006490896	0.000474557	0.005041242	6.0532	5	4	1	Hydrothermal	90	24	23	Triangle		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	-0.941	0	0	2	0	0	0	0	0	0	0	0	0	2	1.287558788	0.094134895	0.275585499	1.072308	72.02	114.035	5	164.785	1
XJ 138.28	0.3105	0.0814	1.3424	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.00859477	0.000449696	0.005021834	6.0486	4	4	1	Hydrothermal	90	24	23	Triangle		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	0.377	0	0	2	0	0	0	0	0	0	0	0	0	2	1.711480368	0.089548245	0.26215781	1.420952	72.02	114.035	5	164.785	0
XJ 138.29	0.3107	0.0876	0.926	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.005928753	0.000483948	0.005025069	6.0649	3	2	1	Hydrothermal	90	24	23	Triangle		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	0.543	0	0	2	0	0	0	0	0	0	0	0	0	2	1.179835111	0.09630684	0.281943997	0.977552	72.02	114.035	5	164.785	0
XJ 138.30	0.3084	0.0831	0.4818	"4,4'-dipyridyl"	c1cc(ccn1)c2ccncc2	c1cc(ccn1)-c1ccncc1	0.003084744	0.000459088	0.00498787	6.2763	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.618449167	0.092040916	0.269455253	0.491491	72.02	114.035	5	164.785	2
XJ 143.01	0.3095	0.0866	0.3725	diethylamine	CCNCC	CCNCC	0.005093042	0.000478424	0.005005661	6.0746	2	2	2	Hydrothermal	90	24	23	Triangle		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	1.017456504	0.095576587	0.279806139	0.838416	91.54	174.93	4	306.55	0
XJ 143.02	0.3103	0.0806	0.1652	diethylamine	CCNCC	CCNCC	0.002258713	0.000445277	0.005018599	6.0164	7	2	1	Hydrothermal	90	24	23	Triangle		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	0.450068373	0.088725314	0.25974863	0.375426	91.54	174.93	4	306.55	0
XJ 143.03	0.31	0.0846	0.265	diethylamine	CCNCC	CCNCC	0.003623238	0.000467375	0.005013747	6.0283	8	2	1	Hydrothermal	90	24	23	Triangle		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	0.722660652	0.09321868	0.272903226	0.601038	91.54	174.93	4	306.55	0
XJ 143.04	0.3069	0.0862	0.239	diethylamine	CCNCC	CCNCC	0.00326775	0.000476214	0.00496361	6.0005	6	3	1	Hydrothermal	90	24	23	Triangle		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	0.658341512	0.095941092	0.280873249	0.54458	91.54	174.93	4	306.55	0
XJ 143.05	0.311	0.0842	0.5946	diethylamine	CCNCC	CCNCC	0.008129726	0.000465165	0.005029921	6.5033	8	2	1	Hydrothermal	90	24	23	Triangle		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	1.616273097	0.092479608	0.27073955	1.250092	91.54	174.93	4	306.55	0
XJ 143.06	0.3103	0.0876	0.4717	diethylamine	CCNCC	CCNCC	0.006449364	0.000483948	0.005018599	6.0506	6	2	1	Hydrothermal	90	24	23	Triangle		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	1.285092323	0.096430986	0.282307444	1.065905	91.54	174.93	4	306.55	0
XJ 143.07	0.3099	0.087	0.366	diethylamine	CCNCC	CCNCC	0.00500417	0.000480634	0.00501213	6.068	5	3	1	Hydrothermal	90	24	23	Triangle		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	0.998411874	0.095894115	0.280735721	0.824682	91.54	174.93	4	306.55	0
XJ 143.08	0.31	0.0852	0.3833	diethylamine	CCNCC	CCNCC	0.005240706	0.00047069	0.005013747	6.0695	3	2	2	Hydrothermal	90	24	23	Triangle		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	1.045267275	0.093879805	0.27483871	0.863449	91.54	174.93	4	306.55	0
XJ 143.09	0.3118	0.0862	0.464	diethylamine	CCNCC	CCNCC	0.006344085	0.000476214	0.005042859	6.0902	6	3	1	Hydrothermal	90	24	23	Triangle		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	1.258033187	0.094433358	0.276459269	1.041687	91.54	174.93	4	306.55	0
XJ 143.10	0.3099	0.0855	0.1972	diethylamine	CCNCC	CCNCC	0.002696236	0.000472347	0.00501213	6.0685	3	2	2	Hydrothermal	90	24	23	Triangle	overshoot amine mass; amine mass should be: 0.1766g	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	0.537942136	0.094240768	0.27589545	0.4443	91.54	174.93	4	306.55	0
XJ 143.11	0.3099	0.0844	0.8599	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.005880141	0.00046627	0.00501213	6.0753	3	2	2	Hydrothermal	90	24	23	Triangle		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	1.173181971	0.093028314	0.272345918	0.967877	40.6125	70.68	1.5	87.8425	1
XJ 143.12	0.3104	0.0818	0.6734	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.004604822	0.000451906	0.005020217	6.0225	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.917255674	0.090017277	0.263530928	0.764603	40.6125	70.68	1.5	87.8425	1
XJ 143.13	0.3094	0.0851	0.7104	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.004857834	0.000470137	0.005004043	5.9944	7	4	1	Hydrothermal	90	24	23	Triangle		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	0.970781857	0.093951459	0.275048481	0.810395	40.6125	70.68	1.5	87.8425	1
XJ 143.14	0.311	0.0891	0.9118	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.006235042	0.000492235	0.005029921	6.0346	6	4	1	Hydrothermal	90	24	23	Triangle		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	1.239590406	0.097861438	0.286495177	1.033215	40.6125	70.68	1.5	87.8425	1
XJ 143.15	0.3082	0.0856	0.9273	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.006341033	0.000472899	0.004984635	6.1278	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.27211576	0.094871422	0.277741726	1.034798	40.6125	70.68	1.5	87.8425	1
XJ 143.16	0.3092	0.0847	0.5235	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.003579781	0.000467927	0.005000809	6.0452	4	2	2	Hydrothermal	90	24	23	Triangle		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	0.715840405	0.093570339	0.27393273	0.592169	40.6125	70.68	1.5	87.8425	1
XJ 143.17	0.3098	0.0842	0.4795	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.003278902	0.000465165	0.005010513	6.0859	5	2	2	Hydrothermal	90	24	23	Triangle		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	0.654404392	0.092837825	0.27178825	0.53877	40.6125	70.68	1.5	87.8425	1
XJ 143.18	0.3107	0.0841	0.2763	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.001889386	0.000464613	0.005025069	6.0849	4	2	1	Hydrothermal	90	24	23	Triangle		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	0.37599203	0.092458964	0.270679112	0.310504	40.6125	70.68	1.5	87.8425	1
XJ 143.19	0.3091	0.083	0.7685	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.005255132	0.000458536	0.004999191	6.0016	4	2	2	Hydrothermal	90	24	23	Triangle		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	1.051196423	0.091721968	0.268521514	0.875622	40.6125	70.68	1.5	87.8425	1
XJ 143.20	0.3086	0.083	0.804	tris(2-aminoethyl)amine	NCCN(CCN)CCN	NCCN(CCN)CCN	0.005497887	0.000458536	0.004991105	6.0841	5	2	2	Hydrothermal	90	24	23	Triangle		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	1.101537115	0.091870578	0.268956578	0.903648	40.6125	70.68	1.5	87.8425	1
XJ 143.21	0.3106	0.088	0.8252	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.00710106	0.000486158	0.005023451	6.0666	4	3	1	Hydrothermal	90	24	23	Triangle		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	1.413581939	0.096777745	0.283322601	1.170517	69.43	130.115	3	189.995	0
XJ 143.22	0.3105	0.0865	0.4106	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.00353332	0.000477872	0.005021834	6.16	6	4	2	Hydrothermal	90	24	23	Triangle		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	0.703591461	0.095158762	0.278582931	0.573591	69.43	130.115	3	189.995	0
XJ 143.23	0.3113	0.0841	0.6625	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.005700984	0.000464613	0.005034773	6.0599	7	4	2	Hydrothermal	90	24	23	Triangle		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	1.132322095	0.092280758	0.270157404	0.940772	69.43	130.115	3	189.995	0
XJ 143.24	0.3112	0.0886	0.9796	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.008429712	0.000489473	0.005033155	6.1307	8	2	2	Hydrothermal	90	24	23	Triangle		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	1.674836465	0.097249732	0.28470437	1.375	69.43	130.115	3	189.995	1
XJ 143.25	0.3093	0.0825	0.715	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.006152761	0.000455773	0.005002426	6.0274	4	4	1	Hydrothermal	90	24	23	Triangle		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	1.229955337	0.091110474	0.266731329	1.020798	69.43	130.115	3	189.995	0
XJ 143.26	0.3078	0.0859	0.804	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.006918629	0.000474557	0.004978166	6.0403	2	2	2	Hydrothermal	90	24	23	Triangle		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	1.389794706	0.095327637	0.279077323	1.145411	69.43	130.115	3	189.995	0
XJ 143.27	0.3106	0.0861	0.3836	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.003300978	0.000475662	0.005023451	6.0745	6	4	2	Hydrothermal	90	24	23	Triangle		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	0.657113465	0.094688226	0.277205409	0.543416	69.43	130.115	3	189.995	0
XJ 143.28	0.3078	0.0849	0.7787	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.006700916	0.000469032	0.004978166	6.0511	6	4	2	Hydrothermal	90	24	23	Triangle		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	1.346061116	0.094217886	0.27582846	1.107388	69.43	130.115	3	189.995	0
XJ 143.29	0.3097	0.0828	0.7634	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.006569255	0.000457431	0.005008895	6.0566	4	4	1	Hydrothermal	90	24	23	Triangle		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	1.311517742	0.091323681	0.267355505	1.084644	69.43	130.115	3	189.995	0
XJ 143.30	0.3106	0.0817	0.367	"N,N,N'-trimethyl-1,3-propanediamine"	CNCCCN(C)C	CNCCCN(C)C	0.00315813	0.000451354	0.005023451	6.1206	7	4	2	Hydrothermal	90	24	23	Triangle		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	0.628677377	0.089849338	0.263039279	0.515984	69.43	130.115	3	189.995	0
XJ 143.31	0.3104	0.0854	0.7244	"N,N,2,2-tetramethyl-1,3-propanediamine"	CN(C)CC(C)(C)CN	CN(C)CC(C)(C)CN	0.005562253	0.000471795	0.005020217	6.0577	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.107970663	0.093978917	0.275128866	0.918212	77.89	144.285	3.5	163.155	0
AAM105.1	0.3058	0.0845	0.6546	2-mpip	CC1CNCCN1	CC1CNCCN1	0.006535217	0.000466822	0.004945819	6.0138	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.321361872	0.094387288	0.276324395	1.086703	54.92	97.755	2.5	131.715	1
AAM105.2	0.3066	0.0894	0.4061	2mpip	CC1CNCCN1	CC1CNCCN1	0.00405431	0.000493893	0.004958758	6.0595	3	2	2	Hydrothermal	90	24	23	Triangle		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	2.6	0	2	0	0	0	0	0	0	0	0	0	1	0	0.817606038	0.099600071	0.291585127	0.669083	54.92	97.755	2.5	131.715	0
AAM105.4	0.3069	0.0886	0.5651	2mpip	CC1CNCCN1	CC1CNCCN1	0.005641691	0.000489473	0.00496361	6.0273	2	2	2	Hydrothermal	90	24	23	Triangle		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	2.6	0	2	0	0	0	0	0	0	0	0	0	1	0	1.136610516	0.098612305	0.288693385	0.936023	54.92	97.755	2.5	131.715	0
AAM105.5	0.3085	0.0849	0.1937	2mpip	CC1CNCCN1	CC1CNCCN1	0.001933809	0.000469032	0.004989487	6.1875	5	4	1	Hydrothermal	90	24	23	Triangle		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	2.6	0	2	0	0	0	0	0	0	0	0	0	1	0	0.387576738	0.094004101	0.275202593	0.312535	54.92	97.755	2.5	131.715	0
AAM105.6	0.3066	0.0812	0.6216	2mpip	CC1CNCCN1	CC1CNCCN1	0.00620576	0.000448592	0.004958758	6.0338	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.6	0	2	0	0	0	0	0	0	0	0	0	1	0	1.251474793	0.090464494	0.264840183	1.0285	54.92	97.755	2.5	131.715	1
AAM105.7	0.3068	0.0825	0.2427	2mpip	CC1CNCCN1	CC1CNCCN1	0.002423002	0.000455773	0.004961993	6.0194	5	2	2	Hydrothermal	90	24	23	Triangle		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	2.6	0	2	0	0	0	0	0	0	0	0	0	1	0	0.488312309	0.0918529	0.268904824	0.402532	54.92	97.755	2.5	131.715	0
AAM105.8	0.3105	0.0835	0.4916	2mpip	CC1CNCCN1	CC1CNCCN1	0.004907902	0.000461298	0.005021834	6.1815	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.6	0	2	0	0	0	0	0	0	0	0	0	1	0	0.977312652	0.091858458	0.268921095	0.793966	54.92	97.755	2.5	131.715	1
AAM105.9	0.3055	0.0838	0.6049	2mpip	CC1CNCCN1	CC1CNCCN1	0.006039036	0.000462955	0.004940967	6.0183	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.222237547	0.093697301	0.274304419	1.003445	54.92	97.755	2.5	131.715	1
AAM105.10	0.3081	0.0827	0.7062	2mpip	CC1CNCCN1	CC1CNCCN1	0.007050367	0.000456878	0.004983018	6.0362	6	3	2	Hydrothermal	90	24	23	Triangle		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	2.6	0	2	0	0	0	0	0	0	0	0	0	1	0	1.414878887	0.091687069	0.268419344	1.168014	54.92	97.755	2.5	131.715	1
AAM105.11	0.307	0.0824	0.7239	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.006453252	0.000455221	0.004965227	6.0425	8	3	2	Hydrothermal	90	24	23	Triangle		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	1.299689163	0.091681797	0.268403909	1.067977	58.875	101.71	3	119.57	1
AAM105.12	0.3073	0.0851	0.8323	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.007419591	0.000470137	0.004970079	6.0873	6	3	2	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	1.492851577	0.094593496	0.276928083	1.218864	58.875	101.71	3	119.57	1
AAM105.13	0.309	0.0861	0.2809	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.002504101	0.000475662	0.004997574	6.0129	6	3	2	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	0.501063256	0.095178521	0.278640777	0.416455	58.875	101.71	3	119.57	1
AAM105.15	0.3111	0.0867	0.3017	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.002689524	0.000478976	0.005031538	6.0137	5	3	2	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	0.534533091	0.095194831	0.278688525	0.447233	58.875	101.71	3	119.57	1
AAM105.16	0.3078	0.0852	0.9249	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.008245079	0.00047069	0.004978166	6.0515	5	2	2	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	1.656248358	0.094550811	0.276803119	1.362485	58.875	101.71	3	119.57	1
AAM105.17	0.311	0.0832	0.5968	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.005320211	0.000459641	0.005029921	6.5892	7	4	2	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	1.057712708	0.091381276	0.267524116	0.807414	58.875	101.71	3	119.57	1
AAM105.18	0.3075	0.0845	0.2088	en	NCCN	NCCN	0.00347421	0.000466822	0.004973314	6.0123	6	3	1	Hydrothermal	90	24	23	Triangle		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	2.95	2	0	0	0	0	0	0	0	0	0	0	0	0	0.69857035	0.093865472	0.274796748	0.57785	34.51	60.835	1	108.375	0
AAM105.19	0.3075	0.0829	0.3431	en	NCCN	NCCN	0.005708819	0.000457983	0.004973314	6.0548	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.147890264	0.092088137	0.269593496	0.942858	34.51	60.835	1	108.375	1
AAM105.20	0.3115	0.0814	0.5113	en	NCCN	NCCN	0.008507488	0.000449696	0.005038007	6.0557	2	2	2	Hydrothermal	90	24	23	Triangle		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	2.95	2	0	0	0	0	0	0	0	0	0	0	0	0	1.688661167	0.089260771	0.261316212	1.404873	34.51	60.835	1	108.375	0
AAM105.21	0.3107	0.0812	0.3735	en	NCCN	NCCN	0.006214642	0.000448592	0.005025069	6.0877	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.95	2	0	0	0	0	0	0	0	0	0	0	0	0	1.236727812	0.089270724	0.261345349	1.020852	34.51	60.835	1	108.375	1
AAM105.22	0.3061	0.0824	0.4063	en	NCCN	NCCN	0.006760399	0.000455221	0.004950671	6.1409	4	2	2	Hydrothermal	90	24	23	Triangle		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	2.95	2	0	0	0	0	0	0	0	0	0	0	0	0	1.365552077	0.091951361	0.269193074	1.100881	34.51	60.835	1	108.375	0
AAM105.23	0.3076	0.0862	0.4095	en	NCCN	NCCN	0.006813644	0.000476214	0.004974931	6.1441	6	4	1	Hydrothermal	90	24	23	Triangle		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	2.95	2	0	0	0	0	0	0	0	0	0	0	0	0	1.369595592	0.09572276	0.28023407	1.108973	34.51	60.835	1	108.375	0
AAM105.24	0.3071	0.0831	0.4233	en	NCCN	NCCN	0.007043261	0.000459088	0.004966845	6.1191	5	2	2	Hydrothermal	90	24	23	Triangle		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	2.95	2	0	0	0	0	0	0	0	0	0	0	0	0	1.418055493	0.092430539	0.270595897	1.151029	34.51	60.835	1	108.375	0
AAM105.25	0.3065	0.0802	0.2109	en	NCCN	NCCN	0.003509151	0.000443067	0.004957141	3.1012	3	2	2	Hydrothermal	90	24	23	Triangle		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	2.95	2	0	0	0	0	0	0	0	0	0	0	0	0	0.70789831	0.089379551	0.261663948	1.131546	34.51	60.835	1	108.375	0
AAM105.26	0.3071	0.0826	0.4044	en	NCCN	NCCN	0.006728785	0.000456326	0.004966845	6.0236	8	2	2	Hydrothermal	90	24	23	Triangle		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	1.354740471	0.091874399	0.268967763	1.11707	34.51	60.835	1	108.375	1
AAM105.27	0.3101	0.0844	0.3814	en	NCCN	NCCN	0.00634609	0.00046627	0.005015365	6.0255	5	4	1	Hydrothermal	90	24	23	Triangle		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	2.95	2	0	0	0	0	0	0	0	0	0	0	0	0	1.265329685	0.092968315	0.272170268	1.053206	34.51	60.835	1	108.375	0
AAM109.1	0.3885	0.0823	0.6842	2mpip	CC1CNCCN1	CC1CNCCN1	0.006830729	0.000454669	0.006283358	6.0796	5	4	1	Hydrothermal	90	24	23	Triangle		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	2.6	0	2	0	0	0	0	0	0	0	0	0	1	0	1.087114524	0.072360755	0.211840412	1.123549	54.92	97.755	2.5	131.715	0
AAM109.2	0.3935	0.0824	1.0583	dabco	C1CN2CCN1CC2	C1CN2CCN1CC2	0.009434282	0.000455221	0.006364224	6.0129	7	4	2	Hydrothermal	90	24	23	Triangle		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	2.82	0	0	2	0	0	0	0	0	0	0	0	3	0	1.482393002	0.071528111	0.209402795	1.569007	58.875	101.71	3	119.57	1
AAM109.3	0.3913	0.088	0.498	1mpip	CN1CCNCC1	CN1CCNCC1	0.004971797	0.000486158	0.006328643	6.0318	7	4	2	Hydrothermal	90	24	23	Triangle		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	0.7856023	0.076818726	0.224891388	0.824264	55.265	100.345	2.5	137.02	1
AAM109.4	0.3902	0.0826	0.7739	1mpip	CN1CCNCC1	CN1CCNCC1	0.007726252	0.000456326	0.006310852	6.0328	6	4	1	Hydrothermal	90	24	23	Triangle		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	1.22428022	0.072308119	0.211686315	1.280707	55.265	100.345	2.5	137.02	1
AAM109.5	0.3945	0.0856	0.153	1mpip	CN1CCNCC1	CN1CCNCC1	0.00152748	0.000472899	0.006380398	6.0556	4	4	1	Hydrothermal	90	24	23	Triangle		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	0.239401945	0.074117547	0.216983523	0.252242	55.265	100.345	2.5	137.02	0
AAM109.6	0.3905	0.088	0.5198	1mpip	CN1CCNCC1	CN1CCNCC1	0.005189437	0.000486158	0.006315704	6.0523	5	4	1	Hydrothermal	90	24	23	Triangle		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	0.821672	0.076976102	0.225352113	0.857432	55.265	100.345	2.5	137.02	1
AAM109.7	0.3943	0.0827	0.6714	1mpip	CN1CCNCC1	CN1CCNCC1	0.00670294	0.000456878	0.006377163	6.005	7	4	2	Hydrothermal	90	24	23	Triangle		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	1.051084934	0.071642876	0.209738778	1.116227	55.265	100.345	2.5	137.02	1
AAM109.8	0.3947	0.0854	0.6454	1mpip	CN1CCNCC1	CN1CCNCC1	0.006443368	0.000471795	0.006383633	6.0332	6	4	2	Hydrothermal	90	24	23	Triangle		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	1.009357666	0.073906906	0.216366861	1.067985	55.265	100.345	2.5	137.02	1
AAM109.9	0.388	0.0972	0.4578	1mpip	CN1CCNCC1	CN1CCNCC1	0.004570459	0.000536984	0.006275271	6.004	7	4	2	Hydrothermal	90	24	23	Triangle		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	0.728328516	0.085571436	0.250515464	0.761236	55.265	100.345	2.5	137.02	1
AAM109.10	0.3912	0.082	0.2514	1mpip	CN1CCNCC1	CN1CCNCC1	0.002509859	0.000453011	0.006327026	6.0443	5	3	1	Hydrothermal	90	24	23	Triangle		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	0.396688562	0.071599384	0.209611452	0.415244	55.265	100.345	2.5	137.02	1
AAM109.11	0.3946	0.0878	0.3643	1mpip	CN1CCNCC1	CN1CCNCC1	0.003636999	0.000485053	0.006382015	6.0004	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.569882527	0.076003171	0.222503801	0.606126	55.265	100.345	2.5	137.02	1
AAM109.12	0.395	0.0806	0.7622	1mpip	CN1CCNCC1	CN1CCNCC1	0.007609444	0.000445277	0.006388485	6.0457	4	4	1	Hydrothermal	90	24	23	Triangle		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	1.191118856	0.069699911	0.204050633	1.258654	55.265	100.345	2.5	137.02	0
AAM109.13	0.39	0.0882	0.6958	3apyr HCl	Cl.Cl.NC1CCNC1	NC1CCNC1	0.004374725	0.000487263	0.006307618	6.0381	4	2	2	Hydrothermal	90	24	23	Triangle		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	0.69356216	0.077249959	0.226153846	0.72452	45.965	79.57	2	111.12	0
AAM109.14	0.3924	0.08	0.6781	3apyr HCl	Cl.Cl.NC1CCNC1	NC1CCNC1	0.004263439	0.000441962	0.006346434	6.0707	5	4	1	Hydrothermal	90	24	23	Triangle		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	0.671785025	0.06963944	0.203873598	0.702298	45.965	79.57	2	111.12	0
AAM109.33	0.3948	0.0829	0.8067	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.006941863	0.000457983	0.00638525	6.0999	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.087171685	0.071725183	0.209979737	1.138029	69.44	130.43	3	186.36	1
AAM109.34	0.3938	0.079	0.7734	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.006655308	0.000436438	0.006369077	6.0322	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.044940773	0.068524466	0.200609446	1.103297	69.44	130.43	3	186.36	1
AAM109.35	0.3913	0.0823	0.8432	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.007255955	0.000454669	0.006328643	6.0123	4	3	2	Hydrothermal	90	24	23	Triangle		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	1.146526163	0.071842968	0.210324559	1.206852	69.44	130.43	3	186.36	0
AAM109.36	0.396	0.0873	0.823	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.007082129	0.000482291	0.006404658	6.071	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.105777806	0.075303183	0.220454545	1.166551	69.44	130.43	3	186.36	0
AAM109.37	0.3946	0.0832	0.4342	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.003736404	0.000459641	0.006382015	6.0455	5	3	2	Hydrothermal	90	24	23	Triangle		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	0.585458287	0.072021228	0.210846427	0.618047	69.44	130.43	3	186.36	0
AAM109.38	0.3943	0.0844	0.4455	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.003833643	0.00046627	0.006377163	6.0776	6	4	2	Hydrothermal	90	24	23	Triangle		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	0.601151799	0.073115583	0.214050216	0.630782	69.44	130.43	3	186.36	0
AAM109.39	0.3937	0.0848	0.7536	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.006484924	0.00046848	0.006367459	6.006	3	3	2	Hydrothermal	90	24	23	Triangle		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	1.018447613	0.073574059	0.215392431	1.079741	69.44	130.43	3	186.36	0
AAM109.40	0.3886	0.083	0.2174	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.001870783	0.000458536	0.006284975	6.0731	5	4	1	Hydrothermal	90	24	23	Triangle		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	0.297659648	0.072957438	0.213587236	0.308044	69.44	130.43	3	186.36	0
AAM109.41	0.3893	0.094	0.3593	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.00309187	0.000519305	0.006296296	6.1672	5	3	2	Hydrothermal	90	24	23	Triangle		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	0.491061666	0.082477925	0.241459029	0.501341	69.44	130.43	3	186.36	0
AAM109.42	0.3891	0.0821	0.7582	dmeed	CCNCCN(C)C	CCNCCN(C)C	0.006524508	0.000453564	0.006293062	6.0594	7	4	2	Hydrothermal	90	24	23	Triangle		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	1.03677799	0.072073598	0.210999743	1.076758	69.44	130.43	3	186.36	1
MD12.1	0.299	0.0861	0.4675	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.004575215	0.000475662	0.00483584	6.1945	6	1	2	Hydrothermal	90	24	23	Triangle		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	0.946105408	0.098361749	0.287959866	0.738593	60.22	110.125	2.5	157.805	0
MD12.2	0.3098	0.0835	0.6376	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.006239908	0.000461298	0.005010513	6.2523	5	2	2	Hydrothermal	90	24	23	Triangle		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	1.245363098	0.092066014	0.269528728	0.998018	60.22	110.125	2.5	157.805	0
MD12.3	0.3085	0.083	0.7361	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.007203883	0.000458536	0.004989487	6.0804	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.443812333	0.091900358	0.26904376	1.184771	60.22	110.125	2.5	157.805	1
MD12.4	0.3081	0.1065	0.5401	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.005285718	0.000588362	0.004983018	6.1228	6	2	1	Hydrothermal	90	24	23	Triangle		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	1.060746425	0.118073432	0.345666991	0.863285	60.22	110.125	2.5	157.805	0
MD12.5	0.3083	0.1092	0.3985	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.003899942	0.000603278	0.004986253	6.2011	8	2	1	Hydrothermal	90	24	23	Triangle		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	0.782138923	0.120988305	0.354200454	0.628911	60.22	110.125	2.5	157.805	1
MD12.6	0.3096	0.1185	0.1838	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.001798769	0.000654656	0.005007278	6.5711	6	4	2	Hydrothermal	90	24	23	Triangle		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	0.359230872	0.130740962	0.382751938	0.273739	60.22	110.125	2.5	157.805	0
MD12.7	0.3105	0.099	0.9136	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.008940997	0.000546928	0.005021834	6.2448	8	1	1	Hydrothermal	90	24	23	Triangle		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	1.780424592	0.108910028	0.31884058	1.431751	60.22	110.125	2.5	157.805	1
MD12.8	0.3093	0.0852	0.5235	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.005123262	0.00047069	0.005002426	6.2498	4	1	1	Hydrothermal	90	24	23	Triangle		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	1.024155411	0.094092272	0.275460718	0.819748	60.22	110.125	2.5	157.805	0
MD12.9	0.3085	0.0779	0.4578	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.004480285	0.000430361	0.004989487	6.0052	6	1	2	Hydrothermal	90	24	23	Triangle		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	0.897944961	0.086253468	0.252512156	0.746068	60.22	110.125	2.5	157.805	0
MD12.10	0.3103	0.0955	0.7025	N-propylethylenediamine	CCCNCCN	CCCNCCN	0.006875055	0.000527592	0.005018599	6.0596	6	2	1	Hydrothermal	90	24	23	Triangle		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	1.369915094	0.105127388	0.307766677	1.134572	60.22	110.125	2.5	157.805	0
MD13.1	0.3139	0.0805	0.339	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.002383195	0.000444724	0.005076824	6.0935	5	4	1	Hydrothermal	90	24	23	Triangle		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	1.82	0	1	1	0	0	0	0	0	0	0	0	1	0	0.469426461	0.087598938	0.256451099	0.391105	80.765	146.35	4	186.215	0
MD13.2	0.3123	0.0901	0.8486	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.005965721	0.00049776	0.005050946	6.1518	7	2	1	Hydrothermal	90	24	23	Triangle		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	1.82	0	1	1	0	0	0	0	0	0	0	0	1	0	1.181109675	0.098547835	0.288504643	0.969752	80.765	146.35	4	186.215	1
MD13.3	0.3075	0.0928	0.3409	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.002396552	0.000512676	0.004973314	6.2413	8	2	2	Hydrothermal	90	24	23	Triangle		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	0.4818824	0.103085394	0.301788618	0.383983	80.765	146.35	4	186.215	1
MD13.4	0.3065	0.081	0.3943	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.002771958	0.000447487	0.004957141	6.0268	6	4	1	Hydrothermal	90	24	23	Triangle		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	1.82	0	1	1	0	0	0	0	0	0	0	0	1	0	0.55918496	0.090271118	0.264274062	0.459939	80.765	146.35	4	186.215	1
MD13.5	0.3105	0.1166	0.9895	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.006956259	0.00064416	0.005021834	5.939	4	4	1	Hydrothermal	90	24	23	Triangle		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	1.82	0	1	1	0	0	0	0	0	0	0	0	1	0	1.385202854	0.128271811	0.375523349	1.171285	80.765	146.35	4	186.215	0
MD13.6	0.3001	0.1354	0.9855	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.006928139	0.000748021	0.004853631	5.9846	7	2	1	Hydrothermal	90	24	23	Triangle		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	1.82	0	1	1	0	0	0	0	0	0	0	0	1	0	1.427413556	0.154115723	0.451182939	1.157661	80.765	146.35	4	186.215	1
MD13.7	0.3182	0.1377	0.3946	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.002774067	0.000760727	0.005146369	6.0199	6	4	1	Hydrothermal	90	24	23	Triangle		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	1.82	0	1	1	0	0	0	0	0	0	0	0	1	0	0.539033913	0.147818246	0.4327467	0.460816	80.765	146.35	4	186.215	1
MD13.8	0.3029	0.0991	0.6713	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.004719289	0.000547481	0.004898916	6.0104	4	3	1	Hydrothermal	90	24	23	Triangle		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	1.82	0	1	1	0	0	0	0	0	0	0	0	1	0	0.963333266	0.111755437	0.327170683	0.785187	80.765	146.35	4	186.215	0
MD13.9	0.3023	0.0872	1.014	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.007128496	0.000481739	0.004889212	6.1047	6	4	1	Hydrothermal	90	24	23	Triangle		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	1.82	0	1	1	0	0	0	0	0	0	0	0	1	0	1.458004927	0.098530938	0.288455177	1.167706	80.765	146.35	4	186.215	1
MD13.10	0.3047	0.0838	0.8922	1-butylpiperazine	CCCCN1CCNCC1	CCCCN1CCNCC1	0.006272233	0.000462955	0.004928028	6.1042	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.272767123	0.093943307	0.275024614	1.027527	80.765	146.35	4	186.215	1
MD15.1	0.3188	0.0924	1.0335	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.005546224	0.000510466	0.005156073	6.8154	8	2	2	Hydrothermal	90	24	23	Triangle		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	1.075668205	0.099002905	0.289836888	0.813778	111.685	203.42	5.5	247.915	1
MD15.2	0.314	0.1545	1.309	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.00702468	0.000853539	0.005078441	6.2614	7	4	1	Hydrothermal	90	24	23	Triangle		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	1.383235613	0.168071128	0.492038217	1.121902	111.685	203.42	5.5	247.915	0
MD15.3	0.3234	0.0792	0.3296	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.001768781	0.000437542	0.005230471	6.0951	8	3	1	Hydrothermal	90	24	23	Triangle		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	0.338168656	0.0836526	0.244897959	0.290197	111.685	203.42	5.5	247.915	1
MD15.4	0.3017	0.087	0.9952	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.005340689	0.000480634	0.004879508	6.0165	3	2	2	Hydrothermal	90	24	23	Triangle		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	1.094513747	0.098500452	0.288365926	0.887674	111.685	203.42	5.5	247.915	0
MD15.5	0.3012	0.0785	0.809	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.004341456	0.000433675	0.004871422	6.044	6	4	1	Hydrothermal	90	24	23	Triangle		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	0.891209316	0.089024382	0.26062417	0.718308	111.685	203.42	5.5	247.915	0
MD15.6	0.3018	0.086	0.4627	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.002483055	0.000475109	0.004881126	6.3854	6	4	1	Hydrothermal	90	24	23	Triangle		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	0.508705493	0.097336	0.284956925	0.388865	111.685	203.42	5.5	247.915	0
MD15.7	0.3022	0.0927	0.7682	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.004122505	0.000512124	0.004887595	6.1427	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.843462942	0.10478028	0.306750496	0.671123	111.685	203.42	5.5	247.915	1
MD15.8	0.31	0.107	0.9723	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.005217797	0.000591124	0.005013747	6.0394	6	4	1	Hydrothermal	90	24	23	Triangle		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	1.040698085	0.117900694	0.34516129	0.86396	111.685	203.42	5.5	247.915	0
MD15.9	0.2975	0.07788	0.6382	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.003424867	0.00043025	0.00481158	5.9452	6	4	2	Hydrothermal	90	24	23	Triangle		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	0.711796738	0.089419709	0.261781513	0.576073	111.685	203.42	5.5	247.915	0
MD15.10	0.3026	0.0824	0.3133	3-(dibutylamino)propylamine	CCCCN(CCCC)CCCN	CCCCN(CCCC)CCCN	0.001681308	0.000455221	0.004894064	5.9953	7	4	1	Hydrothermal	90	24	23	Triangle		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	0.343540256	0.093014909	0.272306675	0.280438	111.685	203.42	5.5	247.915	0
MD17.1	0.3607	0.0835	0.7557	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.006617802	0.000461298	0.005833738	6.031	7	2	1	Hydrothermal	90	24	23	Triangle		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	2.22	0	2	0	0	0	0	0	0	0	0	0	1	0	1.134401643	0.079074165	0.231494317	1.097298	63.41	112.41	3	146.28	1
MD17.2	0.2955	0.0814	0.4774	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.004180678	0.000449696	0.004779233	6.0169	7	2	2	Hydrothermal	90	24	23	Triangle		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	2.22	0	2	0	0	0	0	0	0	0	0	0	1	0	0.874759155	0.094093841	0.275465313	0.694823	63.41	112.41	3	146.28	1
MD17.3	0.3023	0.0834	0.5074	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.004443394	0.000460745	0.004889212	5.8997	5	4	2	Hydrothermal	90	24	23	Triangle		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	2.22	0	2	0	0	0	0	0	0	0	0	0	1	0	0.908815829	0.094237158	0.275884883	0.753156	63.41	112.41	3	146.28	0
MD17.4	0.2969	0.0853	0.6156	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.005390921	0.000471242	0.004801876	6.357	3	4	1	Hydrothermal	90	24	23	Triangle		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	2.22	0	2	0	0	0	0	0	0	0	0	0	1	0	1.122669646	0.098137076	0.287302122	0.848029	63.41	112.41	3	146.28	0
MD17.5	0.3167	0.0858	0.6354	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.005564313	0.000474004	0.005122109	6.1679	7	2	1	Hydrothermal	90	24	23	Triangle		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	2.22	0	2	0	0	0	0	0	0	0	0	0	1	0	1.086332354	0.092540854	0.270918851	0.902141	63.41	112.41	3	146.28	1
MD17.6	0.3034	0.0771	0.2865	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.002508932	0.000425941	0.004907003	6.0841	6	3	2	Hydrothermal	90	24	23	Triangle		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	2.22	0	2	0	0	0	0	0	0	0	0	0	1	0	0.511296261	0.086802669	0.254119974	0.412375	63.41	112.41	3	146.28	1
MD17.7	0.3182	0.0811	0.1363	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.001193604	0.000448039	0.005146369	6.1539	8	2	2	Hydrothermal	90	24	23	Triangle		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	0.231931239	0.087059257	0.25487115	0.193959	63.41	112.41	3	146.28	1
MD17.8	0.3666	0.0726	0.3563	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.003120184	0.000401081	0.005929161	5.8809	7	4	1	Hydrothermal	90	24	23	Triangle		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	2.22	0	2	0	0	0	0	0	0	0	0	0	1	0	0.526243723	0.067645426	0.198036007	0.530562	63.41	112.41	3	146.28	1
MD17.9	0.3636	0.0889	0.4896	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.004287516	0.00049113	0.00588064	6.0328	5	4	1	Hydrothermal	90	24	23	Triangle		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	2.22	0	2	0	0	0	0	0	0	0	0	0	1	0	0.729089933	0.083516477	0.24449945	0.710701	63.41	112.41	3	146.28	0
MD17.10	0.2742	0.0941	0.3268	"trans-2,5-Dimethylpiperazine"	C[C@H]1CN[C@H](C)CN1	C[C@H]1CN[C@H](C)CN1	0.002861847	0.000519858	0.00443474	6.3326	8	2	1	Hydrothermal	90	24	23	Triangle		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	0.645324516	0.117223977	0.34318016	0.451923	63.41	112.41	3	146.28	1
MD19.1	0.308	0.0856	0.9281	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.007072693	0.000472899	0.004981401	6.0787	6	4	1	Hydrothermal	90	24	23	Triangle		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	1.419820166	0.094933027	0.277922078	1.163521	49.79666667	88.33333333	2	123.2266667	0
MD19.2	0.3122	0.0933	0.6962	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.005305472	0.000515438	0.005049329	6.0292	7	2	1	Hydrothermal	90	24	23	Triangle		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	1.050728239	0.102080555	0.298846893	0.879963	49.79666667	88.33333333	2	123.2266667	1
MD19.3	0.2978	0.0825	0.9202	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.00701249	0.000455773	0.004816432	6.0963	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.455951203	0.094628844	0.277031565	1.150286	49.79666667	88.33333333	2	123.2266667	0
MD19.4	0.3072	0.0818	0.6942	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.005290231	0.000451906	0.004968462	6.022	7	4	1	Hydrothermal	90	24	23	Triangle		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	1.06476234	0.090954957	0.266276042	0.878484	49.79666667	88.33333333	2	123.2266667	1
MD19.5	0.3003	0.0834	1.1083	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.008445928	0.000460745	0.004856866	6.026	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.738966778	0.094864779	0.277722278	1.401581	49.79666667	88.33333333	2	123.2266667	0
MD19.6	0.2965	0.0947	0.8023	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.00611402	0.000523173	0.004795407	6.0779	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.274974147	0.109098696	0.319392917	1.005943	49.79666667	88.33333333	2	123.2266667	0
MD19.7	0.3007	0.0879	1.0023	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.007638143	0.000485606	0.004863335	5.9531	6	4	1	Hydrothermal	90	24	23	Triangle		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	1.570556579	0.099850381	0.292317925	1.283053	49.79666667	88.33333333	2	123.2266667	0
MD19.8	0.2912	0.0895	0.396	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.003017764	0.000494445	0.004709688	6.1363	7	4	1	Hydrothermal	90	24	23	Triangle		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	0.640756617	0.104984684	0.307348901	0.491789	49.79666667	88.33333333	2	123.2266667	1
MD19.9	0.3071	0.0892	0.7906	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.006024858	0.000492788	0.004966845	6.1051	5	2	1	Hydrothermal	90	24	23	Triangle		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	1.213015297	0.099215452	0.290459134	0.986857	49.79666667	88.33333333	2	123.2266667	0
MD19.10	0.3296	0.0752	0.9371	Bis(3-aminopropyl)amine	NCCCNCCCN	NCCCNCCCN	0.007141279	0.000415444	0.005330746	6.0718	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.33963973	0.077933632	0.22815534	1.176139	49.79666667	88.33333333	2	123.2266667	1
OH253.1	0.3042	0.0819	0.3026	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.001510508	0.000452459	0.004919942	6.0378	6	2	1	Hydrothermal	90	24	23	Triangle		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	0.307017386	0.091964237	0.269230769	0.250175	55.0125	96.5975	2.5	111.9475	1
OH253.2	0.305	0.088	0.746	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.003723856	0.000486158	0.00493288	6.0239	4	2	2	Hydrothermal	90	24	23	Triangle		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	0.754904899	0.098554648	0.28852459	0.61818	55.0125	96.5975	2.5	111.9475	1
OH253.3	0.3071	0.0861	1.3398	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.006687965	0.000475662	0.004966845	6.0417	7	1	2	Hydrothermal	90	24	23	Triangle		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	1.346521873	0.095767382	0.280364702	1.106967	55.0125	96.5975	2.5	111.9475	1
OH253.4	0.3092	0.0864	0.764	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.003813707	0.000477319	0.005000809	6.0133	2	1	2	Hydrothermal	90	24	23	Triangle		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	0.762618135	0.095448374	0.279430789	0.634212	55.0125	96.5975	2.5	111.9475	1
OH253.5	0.3045	0.0826	1.105	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.005515899	0.000456326	0.004924794	6.0489	4	2	2	Hydrothermal	90	24	23	Triangle		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	1.120026341	0.092658876	0.271264368	0.911885	55.0125	96.5975	2.5	111.9475	1
OH253.6	0.3095	0.0893	1.4468	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.007222084	0.00049334	0.005005661	6.0392	4	2	2	Hydrothermal	90	24	23	Triangle		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	1.442783285	0.098556457	0.288529887	1.195868	55.0125	96.5975	2.5	111.9475	1
OH253.7	0.3021	0.0847	1.0155	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.005069136	0.000467927	0.004885978	6.0218	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.037486509	0.095769444	0.280370738	0.841797	55.0125	96.5975	2.5	111.9475	2
OH253.8	0.3097	0.0879	0.9075	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.004530025	0.000485606	0.005008895	6.0616	7	3	1	Hydrothermal	90	24	23	Triangle		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	0.904396106	0.096948691	0.283823055	0.747332	55.0125	96.5975	2.5	111.9475	1
OH253.9	0.3127	0.0853	0.3264	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.001629312	0.000471242	0.005057415	6.0482	4	2	1	Hydrothermal	90	24	23	Triangle		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	0.322162899	0.093178439	0.272785417	0.269388	55.0125	96.5975	2.5	111.9475	1
OH253.10	0.312	0.0838	1.488	"1,4-Bis(3-aminopropyl)piperazine"	NCCCN1CCN(CCCN)CC1	NCCCN1CCN(CCCN)CC1	0.007427744	0.000462955	0.005046094	6.0653	5	2	2	Hydrothermal	90	24	23	Triangle		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	1.471978927	0.091745274	0.268589744	1.224629	55.0125	96.5975	2.5	111.9475	1
OH255.1	0.3089	0.0866	0.2859	Dimethylammonium chloride	CNC.Cl	CNC	0.003506255	0.000478424	0.004995957	6.0492	3	2	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	0.701818459	0.095762233	0.280349628	0.579623	57.67	113.06	2	242.26	0
OH255.2	0.3077	0.084	0.4422	Dimethylammonium chloride	CNC.Cl	CNC	0.005423105	0.00046406	0.004976549	6.0295	4	2	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	1.089732194	0.093249405	0.272993175	0.899429	57.67	113.06	2	242.26	0
OH255.3	0.3098	0.0913	0.0736	Dimethylammonium chloride	CNC.Cl	CNC	0.000902624	0.000504389	0.005010513	6.0136	4	2	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	0.180146131	0.100666193	0.294706262	0.150097	57.67	113.06	2	242.26	0
OH255.4	0.3088	0.0834	0.3833	Dimethylammonium chloride	CNC.Cl	CNC	0.00470076	0.000460745	0.004994339	6.0395	7	1	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	0.941217659	0.09225354	0.27007772	0.778336	57.67	113.06	2	242.26	0
OH255.5	0.3125	0.0862	0.4899	Dimethylammonium chloride	CNC.Cl	CNC	0.006008094	0.000476214	0.005054181	6.0314	4	2	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	1.188737483	0.094221827	0.27584	0.996136	57.67	113.06	2	242.26	0
OH255.6	0.3103	0.0905	0.442	Dimethylammonium chloride	CNC.Cl	CNC	0.005420652	0.00049997	0.005018599	6.024	3	2	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	1.080112602	0.099623336	0.291653239	0.899843	57.67	113.06	2	242.26	0
OH255.7	0.3059	0.0881	0.3871	Dimethylammonium chloride	CNC.Cl	CNC	0.004747363	0.000486711	0.004947437	6.0533	4	2	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	0.959560216	0.098376351	0.288002615	0.78426	57.67	113.06	2	242.26	0
OH255.8	0.311	0.0929	0.2912	Dimethylammonium chloride	CNC.Cl	CNC	0.003571253	0.000513228	0.005029921	6.0625	6	1	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	0.710001916	0.102035102	0.298713826	0.589073	57.67	113.06	2	242.26	0
OH255.9	0.3111	0.0861	0.4276	Dimethylammonium chloride	CNC.Cl	CNC	0.005244052	0.000475662	0.005031538	6.0408	7	1	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	1.042236371	0.094536043	0.276759884	0.868106	57.67	113.06	2	242.26	0
OH255.10	0.3085	0.0888	0.383	Dimethylammonium chloride	CNC.Cl	CNC	0.004697081	0.000490578	0.004989487	6.0872	4	2	2	Hydrothermal	90	24	23	Triangle		81.54	45.085	2	1	5.76	5.95	14.69				10.52				0	0	3	0	9	0	0	0	3	0	0	0	0	1	0	0	0	1.63	0	5	4	0	15.59	22.83	2.56	3.29	6.49	4.41	57.67	113.06	242.26	157.74	84.53	226.12	16.14	12.03	1	1	1	1	3.14	0	1	0	0	0	0	0	0	0	0	0	0	0	0.941395559	0.098322311	0.287844408	0.771632	57.67	113.06	2	242.26	0
OH257.1	0.3051	0.0853	0.7636	Pyridine	c1ccncc1	c1ccncc1	0.009653359	0.000471242	0.004934498	6.0095	5	4	1	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	2.67E-01	0	0	1	0	0	0	0	0	0	0	0	0	1	1.956300177	0.095499501	0.279580465	1.60635	77.82	128.26	5	241.92	0
OH257.2	0.3042	0.0864	0.1845	Pyridine	c1ccncc1	c1ccncc1	0.002332432	0.000477319	0.004919942	6.07	6	4	1	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	-4.37E-02	0	0	1	0	0	0	0	0	0	0	0	0	1	0.474077062	0.097017217	0.284023669	0.384256	77.82	128.26	5	241.92	1
OH257.3	0.308	0.0849	0.5818	Pyridine	c1ccncc1	c1ccncc1	0.007355061	0.000469032	0.004981401	6.0899	8	3	1	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	-9.67E-02	0	0	1	0	0	0	0	0	0	0	0	0	1	1.476504526	0.094156705	0.275649351	1.207747	77.82	128.26	5	241.92	1
OH257.4	0.305	0.0838	0.4418	Pyridine	c1ccncc1	c1ccncc1	0.005585194	0.000462955	0.00493288	6.0523	8	4	1	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	-9.67E-02	0	0	1	0	0	0	0	0	0	0	0	0	1	1.132237812	0.093850904	0.274754098	0.922822	77.82	128.26	5	241.92	1
OH257.5	0.3099	0.0818	0.3035	Pyridine	c1ccncc1	c1ccncc1	0.003836818	0.000451906	0.00501213	6.083	3	2	2	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	1.90E+00	0	0	1	0	0	0	0	0	0	0	0	0	1	0.765506533	0.090162513	0.263956115	0.630744	77.82	128.26	5	241.92	0
OH257.6	0.3064	0.0867	0.6145	Pyridine	c1ccncc1	c1ccncc1	0.007768451	0.000478976	0.004955523	6.3024	2	2	2	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	1.90E+00	0	0	1	0	0	0	0	0	0	0	0	0	1	1.567634846	0.096655065	0.282963446	1.232618	77.82	128.26	5	241.92	0
OH257.7	0.3075	0.087	0.2402	Pyridine	c1ccncc1	c1ccncc1	0.003036586	0.000480634	0.004973314	6.0853	4	2	1	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	1.05E+00	0	0	1	0	0	0	0	0	0	0	0	0	1	0.61057591	0.096642557	0.282926829	0.499003	77.82	128.26	5	241.92	0
OH257.8	0.3078	0.0824	0.6839	Pyridine	c1ccncc1	c1ccncc1	0.008645799	0.000455221	0.004978166	6.0231	4	4	1	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	1.05E+00	0	0	1	0	0	0	0	0	0	0	0	0	1	1.736743853	0.091443507	0.267706303	1.43544	77.82	128.26	5	241.92	0
OH257.9	0.3044	0.0818	0.4856	Pyridine	c1ccncc1	c1ccncc1	0.006138909	0.000451906	0.004923176	6.0291	8	1	2	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	-9.67E-02	0	0	1	0	0	0	0	0	0	0	0	0	1	1.246940734	0.091791599	0.268725361	1.018213	77.82	128.26	5	241.92	1
OH257.10	0.3052	0.0844	0.3162	Pyridine	c1ccncc1	c1ccncc1	0.00399737	0.00046627	0.004936115	6.0008	7	3	1	Hydrothermal	90	24	23	Triangle		79.102	79.102	5	1	8.25	9.44	23.9				5.12				0	1	0	6	11	0	0	0	0	0	6	6	6	0	0	1	0	2	1	42	27	3	18.34	32.4	3.22	3.62	7.03	3.4	77.82	128.26	241.92	134.57	107.35	241.92	0	12.89	1	1	0	0	-9.16E-02	0	0	1	0	0	0	0	0	0	0	0	0	1	0.809821157	0.094460925	0.276539974	0.66614	77.82	128.26	5	241.92	1
OH259.1	0.3045	0.0853	1.311	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.004023447	0.000471242	0.004924794	6.2069	6	3	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-4.17	3	0	0	0	3	0	0	0	0	0	0	0	0	0.816977779	0.095687677	0.280131363	0.648222	91.22333333	140.89	6.333333333	164.0733333	3
OH259.2	0.3073	0.0879	2.1933	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.006731218	0.000485606	0.004970079	6.1408	2	3	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	0	3	0	0	0	3	0	0	0	0	0	0	0	0	1.354348178	0.097705856	0.286039701	1.096147	91.22333333	140.89	6.333333333	164.0733333	0
OH259.3	0.3045	0.0819	0.9192	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.002821016	0.000452459	0.004924794	6.061	7	3	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-4.19	3	0	0	0	3	0	0	0	0	0	0	0	0	0.572819202	0.091873632	0.268965517	0.465437	91.22333333	140.89	6.333333333	164.0733333	3
OH259.4	0.3098	0.0861	2.2096	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.006781242	0.000475662	0.005010513	6.0156	6	3	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-4.17	3	0	0	0	3	0	0	0	0	0	0	0	0	1.353402883	0.09493274	0.27792124	1.127276	91.22333333	140.89	6.333333333	164.0733333	3
OH259.5	0.3051	0.0824	1.6915	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.005191198	0.000455221	0.004934498	6.0305	7	3	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-4.19	3	0	0	0	3	0	0	0	0	0	0	0	0	1.052021569	0.092252742	0.270075385	0.860824	91.22333333	140.89	6.333333333	164.0733333	3
OH259.6	0.307	0.0817	0.3236	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.000993125	0.000451354	0.004965227	6.1124	6	3	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-4.17	3	0	0	0	3	0	0	0	0	0	0	0	0	0.200016115	0.090902946	0.266123779	0.162477	91.22333333	140.89	6.333333333	164.0733333	3
OH259.7	0.307	0.0817	1.7485	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.005366131	0.000451354	0.004965227	6.1545	6	3	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-4.17	3	0	0	0	3	0	0	0	0	0	0	0	0	1.080742202	0.090902946	0.266123779	0.871904	91.22333333	140.89	6.333333333	164.0733333	3
OH259.8	0.3075	0.087	1.567	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.004809109	0.000480634	0.004973314	6.0103	8	4	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-4.19	3	0	0	0	3	0	0	0	0	0	0	0	0	0.966982748	0.096642557	0.282926829	0.800145	91.22333333	140.89	6.333333333	164.0733333	3
OH259.9	0.3069	0.0873	1.1995	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.003681255	0.000482291	0.00496361	6.0438	7	4	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-4.19	3	0	0	0	3	0	0	0	0	0	0	0	0	0.741648655	0.097165398	0.284457478	0.609096	91.22333333	140.89	6.333333333	164.0733333	3
OH259.10	0.312	0.0873	0.729	Pararosaniline Hydrochloride	Cl.Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1	0.002237294	0.000482291	0.005046094	6.058	4	3	1	Hydrothermal	90	24	23	Triangle		325.84	289.382	19	3	33.09	34.76	94.54				4.74	4.05	3.37		0	3	4	18	43	0	3	3	4	0	18	6	6	0.05	0	0	3	1.67	3	3393	1026	33	62.91	74.19	5.89	6.67	13.42	10.82	273.67	422.67	492.22	309.12	183.09	374.77	117.45	78.06	3	3	3	6	-3.04	3	0	0	0	3	0	0	0	0	0	0	0	0	0.443371511	0.095577117	0.279807692	0.369312	91.22333333	140.89	6.333333333	164.0733333	1
OH262.1	0.3128	0.0815	0.857	3-Aminopyrrolidine dihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.005388243	0.000450249	0.005059033	6.0351	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.065073675	0.088999003	0.260549872	0.892817	45.965	79.57	2	111.12	0
OH262.2	0.3085	0.086	1.2602	3-Aminopyrrolidine dihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.007923295	0.000475109	0.004989487	6.0544	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.58799774	0.095222058	0.278768233	1.308684	45.965	79.57	2	111.12	0
OH262.3	0.311	0.0839	0.5057	3-Aminopyrrolidine dihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.003179503	0.000463508	0.005029921	6.2244	4	2	2	Hydrothermal	90	24	23	Triangle		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	0.632117971	0.092150108	0.26977492	0.510813	45.965	79.57	2	111.12	0
OH262.4	0.3141	0.0892	0.2486	3-Aminopyrrolidine dihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.00156303	0.000492788	0.005080058	6.1123	8	4	1	Hydrothermal	90	24	23	Triangle		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	0.307679642	0.097004347	0.283985992	0.255719	45.965	79.57	2	111.12	1
OH262.5	0.3068	0.0865	0.184	3-Aminopyrrolidine dihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.001156869	0.000477872	0.004961993	6.0554	8	2	2	Hydrothermal	90	24	23	Triangle		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	0.233146039	0.096306374	0.281942634	0.191047	45.965	79.57	2	111.12	1
OH262.6	0.3063	0.0864	0.7131	3-Aminopyrrolidine dihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.004483496	0.000477319	0.004953906	6.065	6	2	1	Hydrothermal	90	24	23	Triangle		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	0.905042581	0.096352064	0.282076396	0.739241	45.965	79.57	2	111.12	0
OH262.7	0.3089	0.0851	1.0062	3-Aminopyrrolidine dihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.006326312	0.000470137	0.004995957	6.0529	2	2	2	Hydrothermal	90	24	23	Triangle		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	1.266286503	0.094103533	0.275493687	1.04517	45.965	79.57	2	111.12	0
OH262.8	0.3028	0.0868	0.3998	3-Aminopyrrolidine dihydrochloride	Cl.Cl.NC1CCNC1	NC1CCNC1	0.002513675	0.000479529	0.004897299	6.0815	6	2	2	Hydrothermal	90	24	23	Triangle		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	0.513277813	0.097917008	0.28665786	0.413331	45.965	79.57	2	111.12	0
OH262.11	0.3089	0.0869	0.7781	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.009137992	0.000480081	0.004995957	6.1394	7	1	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	1.829077474	0.096093972	0.281320816	1.488418	96.5	169.6	5	233.35	0
OH262.12	0.3056	0.0888	0.6149	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.007221374	0.000490578	0.004942585	6.0102	5	2	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	1.461052216	0.099255343	0.290575916	1.20152	96.5	169.6	5	233.35	0
OH262.13	0.3119	0.0891	0.1536	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.001803876	0.000492235	0.005044477	6.1063	5	2	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	0.357594174	0.097579055	0.285668483	0.295412	96.5	169.6	5	233.35	0
OH262.14	0.3087	0.0859	0.1609	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.001889607	0.000474557	0.004992722	6.0897	4	2	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	0.378472221	0.095049714	0.278263686	0.310296	96.5	169.6	5	233.35	0
OH262.15	0.3157	0.0852	0.5737	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.006737522	0.00047069	0.005105936	6.0224	7	1	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	1.319546996	0.092184794	0.269876465	1.118744	96.5	169.6	5	233.35	0
OH262.16	0.3113	0.0894	0.2505	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.002941867	0.000493893	0.005034773	6.0442	7	1	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	0.584309845	0.098096311	0.287182782	0.486726	96.5	169.6	5	233.35	0
OH262.17	0.3173	0.0848	0.2659	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.003122725	0.00046848	0.005131813	6.0142	6	1	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	0.60850319	0.091289338	0.267254964	0.519225	96.5	169.6	5	233.35	0
OH262.18	0.3079	0.0826	0.2886	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.003389313	0.000456326	0.004979783	6.0708	7	1	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	0.680614555	0.091635686	0.268268918	0.558298	96.5	169.6	5	233.35	0
OH262.19	0.3143	0.0843	0.3993	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.004689372	0.000465718	0.005083293	6.1073	8	1	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	0.922506688	0.091617297	0.268215081	0.767831	96.5	169.6	5	233.35	0
OH262.20	0.3058	0.0828	0.4173	Cyclopentylamine	NC1CCCC1	NC1CCCC1	0.004900763	0.000457431	0.004945819	6.4206	4	2	2	Hydrothermal	90	24	23	Triangle		85.15	85.15	5	1	10.58	10.75	26.33				10.45				1	0	6	0	17	1	0	1	1	0	5	5	5	1	0	0	0	2.18	1	39	26	2	24.19	33.74	3.23	3.78	7.58	5.78	96.5	169.6	233.35	178.56	54.78	224.24	9.1	26.02	1	1	1	2	1.58	1	0	0	0	0	0	0	0	0	0	0	0	0	0.990890119	0.092488372	0.270765206	0.763287	96.5	169.6	5	233.35	0
OH262.21	0.3103	0.0815	0.8106	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.004759836	0.000450249	0.005018599	6.0626	6	2	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	0.94843904	0.089716043	0.262649049	0.785115	97.51	170.655	5	154.535	0
OH262.22	0.3176	0.0868	1.3596	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.007983558	0.000479529	0.005136665	6.0906	8	1	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	1.554229904	0.093354124	0.273299748	1.3108	97.51	170.655	5	154.535	0
OH262.23	0.307	0.0869	0.393	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.002307692	0.000480081	0.004965227	6.0724	5	2	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	0.464770734	0.096688691	0.283061889	0.38003	97.51	170.655	5	154.535	0
OH262.24	0.3125	0.0855	1.2105	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.007108045	0.000472347	0.005054181	6.0186	5	2	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	1.406369278	0.093456685	0.2736	1.181013	97.51	170.655	5	154.535	0
OH262.25	0.3155	0.0861	0.9507	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.005582501	0.000475662	0.005102701	6.0491	7	3	1	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	1.094028735	0.093217632	0.272900158	0.922865	97.51	170.655	5	154.535	0
OH262.26	0.3076	0.0846	0.3804	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.002233705	0.000467375	0.004974931	6.1164	6	2	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	0.448992179	0.093946004	0.27503251	0.365199	97.51	170.655	5	154.535	0
OH262.27	0.3142	0.0867	1.1808	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.006933647	0.000478976	0.005081676	6.0576	6	2	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	1.364441004	0.094255607	0.275938892	1.144619	97.51	170.655	5	154.535	0
OH262.28	0.3085	0.0842	0.63	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.003699354	0.000465165	0.004989487	6.0633	6	2	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	0.741429701	0.093229038	0.272933549	0.610122	97.51	170.655	5	154.535	0
OH262.29	0.3059	0.0832	1.1628	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.006827951	0.000459641	0.004947437	6.0962	7	2	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	1.380098693	0.092904795	0.271984309	1.120034	97.51	170.655	5	154.535	0
OH262.30	0.3066	0.0865	0.714	"5-Amino-1,3,3-trimethylcyclohexanemethylamine"	CC1(C)CC(N)CC(C)(CN)C1	CC1(C)CC(N)CC(C)(CN)C1	0.004192601	0.000477872	0.004958758	6.0381	7	1	2	Hydrothermal	90	24	23	Triangle		170.3	170.3	10	2	21.18	21.5	52.41				10.54	9.79			1	0	12	0	34	1	0	1	6	2	6	6	6	1	0	0	1	2.7	1	375	178	16	40.19	51.96	4.16	4.64	9.28	8.25	195.02	341.31	309.07	248.37	60.71	298.26	10.81	52.04	2	2	2	4	1.05	2	0	0	0	0	0	0	0	0	0	0	0	0	0.845494253	0.096369196	0.282126549	0.694358	97.51	170.655	5	154.535	0
OH266.1	0.3106	0.0848	0.6406	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.005466057	0.00046848	0.005023451	6.0765	6	4	1	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	1.088107842	0.093258555	0.273019961	0.89954	44.14666667	78.21666667	1.666666667	109.6633333	1
OH266.2	0.3065	0.0858	0.5809	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.004956654	0.000474004	0.004957141	6.0666	8	3	1	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	0.999901811	0.095620517	0.279934747	0.81704	44.14666667	78.21666667	1.666666667	109.6633333	1
OH266.3	0.3073	0.0846	0.9904	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.0084508	0.000467375	0.004970079	6.0198	3	2	2	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	1.700335134	0.094037718	0.275301009	1.403834	44.14666667	78.21666667	1.666666667	109.6633333	0
OH266.4	0.3114	0.0871	0.5637	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.004809891	0.000481186	0.00503639	6.0367	6	3	1	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	0.955027515	0.095541889	0.27970456	0.796775	44.14666667	78.21666667	1.666666667	109.6633333	1
OH266.5	0.3054	0.0815	0.5273	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.0044993	0.000450249	0.00493935	6.0398	6	4	1	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	0.910909426	0.091155495	0.26686313	0.744942	44.14666667	78.21666667	1.666666667	109.6633333	1
OH266.6	0.3101	0.085	0.4908	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.004187856	0.000469585	0.005015365	6.0327	5	3	1	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	0.835005325	0.093629227	0.274105127	0.694193	44.14666667	78.21666667	1.666666667	109.6633333	0
OH266.7	0.3084	0.0846	0.5316	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.004535991	0.000467375	0.00498787	6.0688	2	2	2	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	0.909404419	0.093702305	0.274319066	0.747428	44.14666667	78.21666667	1.666666667	109.6633333	0
OH266.8	0.3126	0.0884	0.7094	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.006053108	0.000488368	0.005055798	6.0422	8	4	1	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	1.197260537	0.09659565	0.282789507	1.001805	44.14666667	78.21666667	1.666666667	109.6633333	1
OH266.9	0.3127	0.0885	0.7193	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.006137581	0.000488921	0.005057415	6.0711	8	4	1	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	1.213580631	0.096673996	0.283018868	1.01095	44.14666667	78.21666667	1.666666667	109.6633333	1
OH266.10	0.3068	0.0852	0.7576	"N-(2-Aminoethyl)-1,3-propanediamine"	NCCCNCCN	NCCCNCCN	0.006464384	0.00047069	0.004961993	6.0375	8	4	1	Hydrothermal	90	24	23	Triangle		117.196	117.196	5	3	14.62	14.53	35.46				10.09	9.19	5.89		0	0	8	0	22	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	22.52	48.65	3.13	6.31	12.45	6.02	132.44	234.65	328.99	263.6	65.39	296.59	32.4	64.07	3	3	3	5	2.95	2	1	0	0	0	0	0	0	0	0	0	0	0	1.302779956	0.094858995	0.277705346	1.070705	44.14666667	78.21666667	1.666666667	109.6633333	1
OH269.1	0.3081	0.0836	0.942	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.008249264	0.00046185	0.004983018	6.0424	6	3	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	1.655475552	0.092684873	0.271340474	1.36523	63.175	109.41	3	130.085	0
OH269.2	0.3069	0.0839	0.3959	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.003466968	0.000463508	0.00496361	6.0845	7	3	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	0.698477113	0.093381179	0.273378951	0.569803	63.175	109.41	3	130.085	0
OH269.3	0.3122	0.0861	0.5124	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.004487179	0.000475662	0.005049329	6.0616	7	1	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	0.888668506	0.094202956	0.275784753	0.740263	63.175	109.41	3	130.085	0
OH269.4	0.3113	0.0893	0.5028	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.004403111	0.00049334	0.005034773	6.2126	7	3	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	0.874540075	0.097986584	0.286861548	0.708739	63.175	109.41	3	130.085	0
OH269.5	0.3127	0.0851	0.8232	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.007208911	0.000470137	0.005057415	6.0542	8	1	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	1.425414091	0.092959966	0.272145827	1.190729	63.175	109.41	3	130.085	0
OH269.6	0.3107	0.0868	0.6061	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.005307727	0.000479529	0.005025069	6.0725	8	1	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	1.056249698	0.095427325	0.279369166	0.87406	63.175	109.41	3	130.085	0
OH269.7	0.3068	0.0875	1.1019	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.009649538	0.000483396	0.004961993	6.0765	6	3	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	1.944690062	0.097419742	0.285202086	1.588009	63.175	109.41	3	130.085	0
OH269.8	0.3142	0.0826	0.2854	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.002499299	0.000456326	0.005081676	6.1018	3	3	1	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	0.491825854	0.089798306	0.262889879	0.4096	63.175	109.41	3	130.085	0
OH269.9	0.3085	0.0861	0.5035	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.004409241	0.000475662	0.004989487	6.0928	6	4	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	0.883706142	0.095332781	0.279092382	0.723681	63.175	109.41	3	130.085	0
OH269.10	0.31	0.0822	0.7532	piperidin-3-ylmethanamine	NCC1CCCNC1	NCC1CCCNC1	0.006595909	0.000454116	0.005013747	6.1006	7	1	2	Hydrothermal	90	24	23	Triangle		114.192	114.192	6	2	13.86	14.12	34.79				10.32	8.07			1	0	8	0	22	0	0	0	2	1	6	6	6	1	1	0	1	2.13	1	122	64	7	26.39	43.97	3.63	4.76	9.18	5.45	126.35	218.82	260.17	196.72	63.44	243.44	16.73	38.05	2	2	2	3	2.39	1	1	0	0	0	0	0	0	0	0	1	0	0	1.315564618	0.090574178	0.26516129	1.08119	63.175	109.41	3	130.085	0
OH269.11	0.3113	0.0851	0.3311	N-Methylethylenediamine	CNCCN	CNCCN	0.004466659	0.000470137	0.005034773	6.0103	7	4	1	Hydrothermal	90	24	23	Triangle		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	0.8871619	0.093378032	0.27336974	0.743167	43.265	79.2	1.5	135.4	0
OH269.12	0.3091	0.0813	0.2645	N-Methylethylenediamine	CNCCN	CNCCN	0.003568201	0.000449144	0.004999191	6.0436	7	4	2	Hydrothermal	90	24	23	Triangle		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	0.713755543	0.089843326	0.263021676	0.59041	43.265	79.2	1.5	135.4	0
OH269.13	0.3151	0.0814	0.4868	N-Methylethylenediamine	CNCCN	CNCCN	0.006567108	0.000449696	0.005096232	6.0773	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.28862036	0.088240971	0.258330689	1.080596	43.265	79.2	1.5	135.4	0
OH269.14	0.3066	0.0828	0.5854	N-Methylethylenediamine	CNCCN	CNCCN	0.007897257	0.000457431	0.004958758	6.0448	4	2	2	Hydrothermal	90	24	23	Triangle		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	1.59258782	0.092247045	0.270058708	1.306455	43.265	79.2	1.5	135.4	0
OH269.15	0.3097	0.0818	0.2385	N-Methylethylenediamine	CNCCN	CNCCN	0.003217451	0.000451906	0.005008895	6.0476	4	2	1	Hydrothermal	90	24	23	Triangle		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	0.642347444	0.090220738	0.264126574	0.532021	43.265	79.2	1.5	135.4	0
OH269.16	0.312	0.0829	0.4221	N-Methylethylenediamine	CNCCN	CNCCN	0.005694281	0.000457983	0.005046094	6.0153	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.128453273	0.090759943	0.265705128	0.946633	43.265	79.2	1.5	135.4	1
OH269.17	0.3081	0.0827	0.382	N-Methylethylenediamine	CNCCN	CNCCN	0.005153318	0.000456878	0.004983018	6.0139	3	2	1	Hydrothermal	90	24	23	Triangle		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	1.034176076	0.091687069	0.268419344	0.856901	43.265	79.2	1.5	135.4	0
OH269.18	0.3116	0.0831	0.4292	N-Methylethylenediamine	CNCCN	CNCCN	0.005790063	0.000459088	0.005039625	6.0476	8	4	1	Hydrothermal	90	24	23	Triangle		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	1.148907559	0.091095695	0.266688062	0.957415	43.265	79.2	1.5	135.4	1
OH269.19	0.3134	0.0853	0.2941	N-Methylethylenediamine	CNCCN	CNCCN	0.003967515	0.000471242	0.005068737	6.076	6	4	1	Hydrothermal	90	24	23	Triangle		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	0.782742391	0.092970318	0.272176133	0.652981	43.265	79.2	1.5	135.4	0
OH269.20	0.3149	0.0835	0.5879	N-Methylethylenediamine	CNCCN	CNCCN	0.007930983	0.000461298	0.005092997	6.0394	7	4	2	Hydrothermal	90	24	23	Triangle		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	1.557233084	0.090574948	0.265163544	1.313207	43.265	79.2	1.5	135.4	0
OH269.21	0.3141	0.0869	0.9276	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.005860167	0.000480081	0.005080058	6.0227	4	2	1	Hydrothermal	90	24	23	Triangle		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	1.153562992	0.094503114	0.276663483	0.973013	94.765	172.25	4.5	216.45	0
OH269.22	0.3088	0.0844	0.5894	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.003723569	0.00046627	0.004994339	6.0348	2	2	2	Hydrothermal	90	24	23	Triangle		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	0.745557856	0.093359697	0.273316062	0.617016	94.765	172.25	4.5	216.45	0
OH269.23	0.3093	0.0842	1.2772	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.008068786	0.000465165	0.005002426	6.0202	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.612974498	0.092987902	0.272227611	1.340285	94.765	172.25	4.5	216.45	0
OH269.24	0.3131	0.0858	0.174	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.001099255	0.000474004	0.005063885	6.0462	7	1	2	Hydrothermal	90	24	23	Triangle		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	0.21707744	0.093604882	0.274033855	0.181809	94.765	172.25	4.5	216.45	0
OH269.25	0.3117	0.0883	1.101	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.006955632	0.000487816	0.005041242	6.0268	7	1	2	Hydrothermal	90	24	23	Triangle		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	1.379745632	0.096764973	0.28328521	1.154117	94.765	172.25	4.5	216.45	0
OH269.26	0.3124	0.0847	0.8011	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.005060996	0.000467927	0.005052563	6.0184	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.001668964	0.092611872	0.271126761	0.840921	94.765	172.25	4.5	216.45	0
OH269.27	0.3105	0.086	1.1123	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.00702702	0.000475109	0.005021834	6.0426	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.399293587	0.094608711	0.276972625	1.162913	94.765	172.25	4.5	216.45	0
OH269.28	0.3129	0.0871	1.1533	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.00728604	0.000481186	0.00506065	6.0593	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.439743876	0.095083875	0.278363694	1.202456	94.765	172.25	4.5	216.45	0
OH269.29	0.3116	0.0864	0.6674	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.004216338	0.000477319	0.005039625	6.0314	6	2	2	Hydrothermal	90	24	23	Triangle		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	0.83663738	0.094713214	0.277278562	0.699065	94.765	172.25	4.5	216.45	0
OH269.30	0.3088	0.0822	0.4153	2-Amino-5-diethylaminopentane	CCN(CC)CCCC(C)N	CCN(CC)CCCC(C)N	0.002623682	0.000454116	0.004994339	6.0118	8	1	2	Hydrothermal	90	24	23	Triangle		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	0.525331146	0.09092615	0.26619171	0.436422	94.765	172.25	4.5	216.45	0
OH269.31	0.3057	0.0878	0.7622	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.005944517	0.000485053	0.004944202	6.0605	7	4	2	Hydrothermal	90	24	23	Triangle		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	1.202320818	0.0981055	0.287209683	0.980862	71.925	127.625	3.5	153.13	0
OH269.32	0.314	0.086	0.5402	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.004213104	0.000475109	0.005078441	6.0713	7	4	1	Hydrothermal	90	24	23	Triangle		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	0.829605825	0.093554155	0.27388535	0.693938	71.925	127.625	3.5	153.13	0
OH269.33	0.3117	0.082	0.8341	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.006505276	0.000453011	0.005041242	6.0252	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.290411367	0.089861017	0.263073468	1.079678	71.925	127.625	3.5	153.13	0
OH269.34	0.3083	0.0868	0.7933	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.006187071	0.000479529	0.004986253	6.0442	7	2	2	Hydrothermal	90	24	23	Triangle		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	1.24082573	0.096170191	0.281543951	1.023638	71.925	127.625	3.5	153.13	0
OH269.35	0.3133	0.0876	0.4028	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.0031415	0.000483948	0.00506712	6.0021	6	4	1	Hydrothermal	90	24	23	Triangle		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	0.619977499	0.095507613	0.279604213	0.5234	71.925	127.625	3.5	153.13	0
OH269.36	0.3099	0.0837	0.7326	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.005713662	0.000462403	0.00501213	6.1174	7	1	2	Hydrothermal	90	24	23	Triangle		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	1.139966789	0.092256752	0.270087125	0.934002	71.925	127.625	3.5	153.13	0
OH269.37	0.309	0.0872	1.0828	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.008444926	0.000481739	0.004997574	6.0282	7	1	2	Hydrothermal	90	24	23	Triangle		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	1.689805148	0.096394507	0.282200647	1.400903	71.925	127.625	3.5	153.13	0
OH269.38	0.3051	0.0875	0.2944	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.002296072	0.000483396	0.004934498	6.0328	5	4	1	Hydrothermal	90	24	23	Triangle		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	0.465310078	0.09796256	0.286791216	0.380598	71.925	127.625	3.5	153.13	0
OH269.39	0.3097	0.0867	0.8638	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.006736911	0.000478976	0.005008895	6.029	2	1	2	Hydrothermal	90	24	23	Triangle		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	1.344989381	0.095625159	0.279948337	1.117418	71.925	127.625	3.5	153.13	0
OH269.40	0.3098	0.0857	0.4953	2-(2-Aminoethyl)-1-methylpyrrolidine	CN1CCCC1CCN	CN1CCCC1CCN	0.003862922	0.000473452	0.005010513	6.0292	4	2	1	Hydrothermal	90	24	23	Triangle		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	0.770963426	0.094491705	0.276630084	0.640702	71.925	127.625	3.5	153.13	0
OH273.1	0.313	0.0821	0.71	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.006217598	0.000453564	0.005062268	6.043	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.228223997	0.089596924	0.262300319	1.028893	63.14	109.46	3	134.06	1
OH273.2	0.3066	0.0867	0.6399	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.00560372	0.000478976	0.004958758	6.0446	8	2	2	Hydrothermal	90	24	23	Triangle		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	1.130065267	0.096592015	0.282778865	0.927062	63.14	109.46	3	134.06	1
OH273.3	0.3063	0.0852	0.8206	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.007186143	0.00047069	0.004953906	6.0412	6	2	2	Hydrothermal	90	24	23	Triangle		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	1.450601369	0.095013841	0.278158668	1.189522	63.14	109.46	3	134.06	0
OH273.4	0.3076	0.0827	0.2719	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.002381077	0.000456878	0.004974931	6.0438	7	2	1	Hydrothermal	90	24	23	Triangle		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	0.478615152	0.091836105	0.268855657	0.39397	63.14	109.46	3	134.06	0
OH273.5	0.3075	0.09	0.745	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.0065241	0.000497207	0.004973314	6.0104	3	1	2	Hydrothermal	90	24	23	Triangle		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	1.311821425	0.099975059	0.292682927	1.085468	63.14	109.46	3	134.06	0
OH273.6	0.3071	0.0835	0.9156	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.008018075	0.000461298	0.004966845	6.0426	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.614319656	0.092875451	0.271898404	1.326925	63.14	109.46	3	134.06	1
OH273.7	0.3081	0.0836	0.4319	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.003782226	0.00046185	0.004983018	6.036	8	2	1	Hydrothermal	90	24	23	Triangle		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	0.759023239	0.092684873	0.271340474	0.626611	63.14	109.46	3	134.06	1
OH273.8	0.3105	0.0821	0.5756	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.005040633	0.000453564	0.005021834	6.0394	7	2	1	Hydrothermal	90	24	23	Triangle		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	1.003743504	0.090318316	0.264412238	0.834625	63.14	109.46	3	134.06	0
OH273.9	0.3111	0.0835	0.5419	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.004745516	0.000461298	0.005031538	6.0396	8	2	1	Hydrothermal	90	24	23	Triangle		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	0.943154209	0.091681296	0.268402443	0.785734	63.14	109.46	3	134.06	1
OH273.10	0.3125	0.084	0.5882	2-(Aminomethyl)piperidine	NCC1CCCCN1	NCC1CCCCN1	0.005150974	0.00046406	0.005054181	6.0227	3	2	1	Hydrothermal	90	24	23	Triangle		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	1.019151072	0.091817094	0.2688	0.85526	63.14	109.46	3	134.06	0
OH274.1	0.3082	0.0837	0.3749	Methylammonium chloride	CN.Cl	CN	0.005552429	0.000462403	0.004984635	6.0254	7	1	2	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	1.113908759	0.092765631	0.271576898	0.921504	40.16	76	1	194.05	0
OH274.2	0.3086	0.0832	0.4161	Methylammonium chloride	CN.Cl	CN	0.006162618	0.000459641	0.004991105	6.0397	8	1	2	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	1.234720353	0.092091953	0.269604666	1.020352	40.16	76	1	194.05	0
OH274.3	0.3112	0.0865	0.5754	Methylammonium chloride	CN.Cl	CN	0.008521919	0.000477872	0.005033155	6.0328	6	2	1	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	1.693156422	0.094944716	0.277956298	1.412598	40.16	76	1	194.05	0
OH274.4	0.3125	0.0895	0.3829	Methylammonium chloride	CN.Cl	CN	0.005670912	0.000494445	0.005054181	6.0258	8	1	2	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	1.122024028	0.097828928	0.2864	0.941105	40.16	76	1	194.05	0
OH274.5	0.3062	0.0848	0.6619	Methylammonium chloride	CN.Cl	CN	0.009803021	0.00046848	0.004952289	6.0643	3	2	2	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	1.97949317	0.094598651	0.276943174	1.616513	40.16	76	1	194.05	0
OH274.6	0.3109	0.0876	0.1636	Methylammonium chloride	CN.Cl	CN	0.002422986	0.000483948	0.005028303	6.0318	5	2	2	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	0.481869446	0.096244886	0.281762625	0.401702	40.16	76	1	194.05	0
OH274.7	0.311	0.0835	0.3245	Methylammonium chloride	CN.Cl	CN	0.004805983	0.000461298	0.005029921	6.0705	5	2	2	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	0.955478953	0.091710775	0.268488746	0.791695	40.16	76	1	194.05	0
OH274.8	0.3096	0.894	0.2291	Methylammonium chloride	CN.Cl	CN	0.003393069	0.004938926	0.005007278	6.03	8	1	2	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	0.677627387	0.986349538	2.887596899	0.562698	40.16	76	1	194.05	0
OH274.9	0.3118	0.0845	0.4018	Methylammonium chloride	CN.Cl	CN	0.005950829	0.000466822	0.005042859	6.0593	2	2	2	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	1.180050612	0.092570983	0.271007056	0.982098	40.16	76	1	194.05	0
OH274.10	0.3092	0.0854	0.4872	Methylammonium chloride	CN.Cl	CN	0.00721564	0.000471795	0.005000809	6.029	7	2	1	Hydrothermal	90	24	23	Triangle		67.52	31.058	1	1	3.86	4.11	9.92				10.08				0	0	2	0	6	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	1	0	12.16	16.93	2.25	2.66	4.85	4.44	40.16	76	194.05	129.1	64.95	173.03	21.02	26.02	1	1	1	2	3.02	1	0	0	0	0	0	0	0	0	0	0	0	0	1.442894597	0.094343648	0.276196636	1.196822	40.16	76	1	194.05	0
OH274.11	0.3113	0.0841	0.6055	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.005210485	0.000464613	0.005034773	6.0428	3	2	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.56	0	2	0	0	0	0	0	0	0	0	0	0	0	1.034899665	0.092280758	0.270157404	0.862263	68.95	128.78	3	188.765	0
OH274.12	0.3084	0.0857	0.4967	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.004274232	0.000473452	0.00498787	6.0939	6	2	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.56	0	2	0	0	0	0	0	0	0	0	0	0	0	0.856925389	0.094920656	0.277885863	0.701395	68.95	128.78	3	188.765	0
OH274.13	0.311	0.0819	0.9526	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.00819737	0.000452459	0.005029921	6.0473	8	4	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.53	0	2	0	0	0	0	0	0	0	0	0	0	0	1.629721548	0.089953443	0.263344051	1.355542	68.95	128.78	3	188.765	1
OH274.14	0.3056	0.0837	0.7586	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.00652795	0.000462403	0.004942585	6.0227	5	2	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.56	0	2	0	0	0	0	0	0	0	0	0	0	0	1.320756352	0.093554867	0.273887435	1.083891	68.95	128.78	3	188.765	0
OH274.15	0.3078	0.0815	0.7946	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.006837739	0.000450249	0.004978166	6.0344	4	1	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.56	0	2	0	0	0	0	0	0	0	0	0	0	0	1.373545862	0.090444731	0.264782326	1.133127	68.95	128.78	3	188.765	0
OH274.16	0.3097	0.0835	0.46	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.003958419	0.000461298	0.005008895	6.0617	4	4	1	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.56	0	2	0	0	0	0	0	0	0	0	0	0	0	0.790277916	0.092095742	0.269615757	0.653021	68.95	128.78	3	188.765	0
OH274.17	0.3071	0.0815	0.8723	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.007506368	0.000450249	0.004966845	6.0602	8	4	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.53	0	2	0	0	0	0	0	0	0	0	0	0	0	1.511295105	0.09065089	0.265385868	1.238634	68.95	128.78	3	188.765	1
OH274.18	0.3073	0.0851	0.7345	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.006320563	0.000470137	0.004970079	6.0488	5	1	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.56	0	2	0	0	0	0	0	0	0	0	0	0	0	1.271722806	0.094593496	0.276928083	1.044928	68.95	128.78	3	188.765	0
OH274.19	0.3064	0.0815	0.8634	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.007429781	0.000450249	0.004955523	6.0189	6	2	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.56	0	2	0	0	0	0	0	0	0	0	0	0	0	1.499292964	0.09085799	0.265992167	1.234408	68.95	128.78	3	188.765	0
OH274.20	0.3112	0.0854	0.5973	"N,N′-Diethylethylenediamine"	CCNCCNCC	CCNCCNCC	0.005139922	0.000471795	0.005033155	6.0407	5	1	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.15	14.86	36.91				9.93	6.99			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.4	49.23	3.09	6.01	11.88	5.89	137.9	257.56	377.53	284.42	93.11	361.34	16.19	24.06	2	2	2	2	2.56	0	2	0	0	0	0	0	0	0	0	0	0	0	1.021212557	0.093737326	0.274421594	0.850882	68.95	128.78	3	188.765	0
OH274.21	0.3116	0.0875	0.7847	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.008214174	0.000483396	0.005039625	6.0614	7	2	2	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	1.629917686	0.095919053	0.280808729	1.355161	18.34	30.14	0.333333333	62.18666667	1
OH274.22	0.3099	0.0818	0.2542	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.002660944	0.000451906	0.00501213	6.0304	7	2	2	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	0.530900872	0.090162513	0.263956115	0.441255	18.34	30.14	0.333333333	62.18666667	1
OH274.23	0.3113	0.0856	0.7187	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.007523291	0.000472899	0.005034773	6.0128	6	2	1	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	1.494266269	0.093926669	0.274975907	1.251213	18.34	30.14	0.333333333	62.18666667	1
OH274.24	0.3119	0.0846	0.4493	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.004703235	0.000467375	0.005044477	6.1198	7	2	2	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	0.932353301	0.09265082	0.271240782	0.768527	18.34	30.14	0.333333333	62.18666667	1
OH274.25	0.3063	0.083	0.7258	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.007597613	0.000458536	0.004953906	6.0533	7	2	2	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	1.533661219	0.092560432	0.270976167	1.255119	18.34	30.14	0.333333333	62.18666667	1
OH274.26	0.3076	0.0854	0.3931	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.004114938	0.000471795	0.004974931	6.0428	5	2	1	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	0.827134587	0.094834382	0.27763329	0.680965	18.34	30.14	0.333333333	62.18666667	1
OH274.27	0.3068	0.0858	0.3728	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.003902439	0.000474004	0.004961993	6.0517	6	2	2	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	0.786466118	0.095527016	0.279661017	0.64485	18.34	30.14	0.333333333	62.18666667	1
OH274.28	0.3057	0.084	0.433	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.004532608	0.00046406	0.004944202	6.0539	5	2	1	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	0.916752127	0.093859476	0.274779195	0.748709	18.34	30.14	0.333333333	62.18666667	1
OH274.29	0.3068	0.0863	0.3499	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.003662724	0.000476767	0.004961993	6.1001	7	2	2	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	0.738155833	0.0960837	0.281290743	0.600437	18.34	30.14	0.333333333	62.18666667	1
OH274.30	0.3124	0.0836	0.9257	Guanidine hydrochloride	Cl.NC(N)=N	NC(N)=N	0.00969015	0.00046185	0.005052563	6.0407	7	2	2	Hydrothermal	90	24	23	Triangle		95.53	59.072	1	3	5.57	5.61	25.86				12.55	-3.17			0	0	4	0	8	0	0	0	4	0	0	0	0	0	0	0	0	2.32	0	12	9	0	14.79	24.63	2.91	3.17	5.85	3.47	55.02	90.42	186.56	106.19	80.37	6.25	180.32	75.89	3	3	3	5	2.42	2	1	0	0	0	0	0	0	0	1	0	0	0	1.917867975	0.091409121	0.267605634	1.604144	18.34	30.14	0.333333333	62.18666667	1
OH274.31	0.308	0.0818	0.5125	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.00506458	0.000451906	0.004981401	6.0718	7	1	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	1.016697904	0.09071871	0.265584416	0.834115	126.52	239.66	6	339.52	0
OH274.32	0.3083	0.0867	0.9427	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.009315862	0.000478976	0.004986253	6.0354	6	4	1	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	1.868309222	0.096059396	0.281219591	1.543537	126.52	239.66	6	339.52	0
OH274.33	0.3104	0.087	0.414	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.004091192	0.000480634	0.005020217	6.0217	7	2	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	0.814943319	0.095739646	0.280283505	0.679408	126.52	239.66	6	339.52	0
OH274.34	0.3091	0.0815	0.5076	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.005016157	0.000450249	0.004999191	6.0484	7	1	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	1.003393731	0.090064342	0.263668716	0.829336	126.52	239.66	6	339.52	0
OH274.35	0.31	0.0826	0.2966	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.002931033	0.000456326	0.005013747	6.0177	3	2	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	0.584599215	0.091014929	0.266451613	0.487069	126.52	239.66	6	339.52	0
OH274.36	0.3105	0.0833	0.302	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.002984396	0.000460193	0.005021834	6.1017	8	1	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	0.594284104	0.091638438	0.268276973	0.489109	126.52	239.66	6	339.52	0
OH274.37	0.3074	0.088	0.4479	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.004426195	0.000486158	0.004971697	6.0535	4	2	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	0.890278683	0.097785191	0.286271958	0.73118	126.52	239.66	6	339.52	0
OH274.38	0.3117	0.0858	0.5738	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.005670353	0.000474004	0.005041242	6.0871	8	1	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	1.124792772	0.094025308	0.275264678	0.931536	126.52	239.66	6	339.52	0
OH274.39	0.3072	0.0844	0.4325	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.004274011	0.00046627	0.004968462	6.0247	4	2	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	0.8602282	0.093845945	0.274739583	0.709415	126.52	239.66	6	339.52	0
OH274.40	0.3124	0.0838	0.5905	Triethylamine	CCN(CC)CC	CCN(CC)CC	0.005835384	0.000462955	0.005052563	6.0136	7	1	2	Hydrothermal	90	24	23	Triangle		101.193	101.193	6	1	13.48	13.34	34.23				10.21				0	0	7	0	21	0	0	0	7	0	0	0	0	1	0	0	3	2.99	0	90	48	6	31.17	45.56	4.2	4.33	8.63	5.34	126.52	239.66	339.52	249.02	90.5	334.96	4.56	3.24	1	1	0	0	1.79	0	0	1	0	0	0	0	0	0	0	0	0	0	1.15493529	0.091627803	0.268245839	0.970364	126.52	239.66	6	339.52	0
OH279.1	0.3072	0.0829	0.8751	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.007530463	0.000457983	0.004968462	6.0203	5	2	1	Hydrothermal	90	24	23	Triangle		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	1.515652681	0.092178067	0.269856771	1.250845	68.77	124.86	3	174.74	0
OH279.2	0.3095	0.0859	0.7019	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.006040032	0.000474557	0.005005661	6.0351	6	3	1	Hydrothermal	90	24	23	Triangle		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	1.206640252	0.094804028	0.277544426	1.000817	68.77	124.86	3	174.74	0
OH279.3	0.3115	0.0865	1.0132	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.008718849	0.000477872	0.005038007	6.0505	5	2	1	Hydrothermal	90	24	23	Triangle		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	1.730614546	0.094853276	0.277688604	1.441013	68.77	124.86	3	174.74	0
OH279.4	0.3116	0.0881	0.8608	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.007407407	0.000486711	0.005039625	6.0213	6	3	1	Hydrothermal	90	24	23	Triangle		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	1.469833119	0.096576784	0.282734275	1.230201	68.77	124.86	3	174.74	0
OH279.5	0.3093	0.0865	0.7428	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.006391987	0.000477872	0.005002426	6.0573	6	3	1	Hydrothermal	90	24	23	Triangle		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	1.277777377	0.095527952	0.279663757	1.055253	68.77	124.86	3	174.74	0
OH279.6	0.3103	0.0869	0.3069	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.002640954	0.000480081	0.005018599	6.0373	7	2	2	Hydrothermal	90	24	23	Triangle		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	0.526233307	0.095660419	0.280051563	0.43744	68.77	124.86	3	174.74	0
OH279.7	0.306	0.0814	1.1081	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.009535488	0.000449696	0.004949054	6.0518	6	3	1	Hydrothermal	90	24	23	Triangle		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	1.926729505	0.090865131	0.266013072	1.575645	68.77	124.86	3	174.74	0
OH279.8	0.3084	0.0848	0.2233	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.001921554	0.00046848	0.00498787	6.0648	6	3	2	Hydrothermal	90	24	23	Triangle		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	0.385245499	0.093923823	0.274967575	0.316837	68.77	124.86	3	174.74	0
OH279.9	0.311	0.0877	0.4687	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.004033285	0.000484501	0.005029921	6.0223	7	2	2	Hydrothermal	90	24	23	Triangle		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	0.801858587	0.096323772	0.281993569	0.669725	68.77	124.86	3	174.74	0
OH279.10	0.3088	0.0835	0.3896	"N-Isopropyl-1,3-propanediamine"	CC(C)NCCCN	CC(C)NCCCN	0.003352609	0.000461298	0.004994339	6.0446	4	3	1	Hydrothermal	90	24	23	Triangle		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	0.671281806	0.092364155	0.270401554	0.554645	68.77	124.86	3	174.74	0
OH280.1	0.3101	0.0833	0.7282	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.0051193	0.000460193	0.005015365	6.0218	8	1	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	1.020723449	0.091756643	0.268623025	0.850128	79.975	136.375	4	150.265	0
OH280.2	0.3079	0.0858	0.7484	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.005261308	0.000474004	0.004979783	6.0538	7	1	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	1.056533504	0.095185737	0.278661903	0.869092	79.975	136.375	4	150.265	0
OH280.3	0.3092	0.0856	1.0949	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.007697229	0.000472899	0.005000809	6.0236	7	2	1	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	1.539196809	0.094564593	0.276843467	1.277845	79.975	136.375	4	150.265	0
OH280.4	0.3082	0.0864	0.4443	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.003123462	0.000477319	0.004984635	6.0648	4	2	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	0.626617995	0.095758071	0.280337443	0.515015	79.975	136.375	4	150.265	0
OH280.5	0.3084	0.0868	0.5507	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.003871462	0.000479529	0.00498787	6.0563	3	2	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	0.77617543	0.096139008	0.281452659	0.639245	79.975	136.375	4	150.265	0
OH280.6	0.3085	0.0829	0.993	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.006980864	0.000457983	0.004989487	6.0708	6	2	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	1.399114521	0.091789635	0.268719611	1.149908	79.975	136.375	4	150.265	0
OH280.7	0.3112	0.0827	0.5966	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.004194143	0.000456878	0.005033155	6.0383	8	1	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	0.833302806	0.090773734	0.265745501	0.69459	79.975	136.375	4	150.265	0
OH280.8	0.3074	0.0832	0.3336	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.002345233	0.000459641	0.004971697	6.0291	3	2	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	0.47171682	0.092451453	0.270657124	0.388986	79.975	136.375	4	150.265	0
OH280.9	0.3084	0.084	0.7978	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.005608594	0.00046406	0.00498787	6.0451	7	2	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	1.124446628	0.093037749	0.272373541	0.927792	79.975	136.375	4	150.265	0
OH280.10	0.3095	0.0824	0.86	"1,3-Cyclohexanebis(methylamine)"	NCC1CCCC(CN)C1	NCC1CCCC(CN)C1	0.006045864	0.000455221	0.005005661	6.0301	3	2	2	Hydrothermal	90	24	23	Triangle		142.246	142.246	8	2	17.78	17.81	43.72				10.52	9.92			1	0	10	0	28	1	0	1	4	2	6	6	6	1	0	0	2	2.25	1	263	121	11	33.79	54.32	4.19	4.89	9.51	5.36	159.95	272.75	300.53	239.17	61.36	283.5	17.02	52.04	2	2	2	4	1.1	2	0	0	0	0	0	0	0	0	0	0	0	0	1.207805441	0.090941233	0.266235864	1.002614	79.975	136.375	4	150.265	0
OH280.11	0.3117	0.0878	0.9431	"N-Propyl-1,3-propanediamine"	CCCNCCCN	CCCNCCCN	0.00811562	0.000485053	0.005041242	6.0359	5	2	1	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.07	14.86	36.78				10.5	8.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.96	49.18	3.43	5.99	12.01	6.18	137.4	250.57	369.17	264.71	104.46	349.39	19.79	38.05	2	2	2	3	2.25	1	1	0	0	0	0	0	0	0	0	0	0	0	1.609845368	0.09621704	0.281681104	1.344558	68.7	125.285	3	184.585	0
OH280.12	0.3078	0.0827	0.4214	"N-Propyl-1,3-propanediamine"	CCCNCCCN	CCCNCCCN	0.003626256	0.000456878	0.004978166	6.0585	7	1	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.07	14.86	36.78				10.5	8.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.96	49.18	3.43	5.99	12.01	6.18	137.4	250.57	369.17	264.71	104.46	349.39	19.79	38.05	2	2	2	3	2.25	1	1	0	0	0	0	0	0	0	0	0	0	0	0.7284322	0.091776433	0.268680962	0.59854	68.7	125.285	3	184.585	0
OH280.13	0.3109	0.0838	0.4465	"N-Propyl-1,3-propanediamine"	CCCNCCCN	CCCNCCCN	0.003842248	0.000462955	0.005028303	6.0233	6	2	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.07	14.86	36.78				10.5	8.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.96	49.18	3.43	5.99	12.01	6.18	137.4	250.57	369.17	264.71	104.46	349.39	19.79	38.05	2	2	2	3	2.25	1	1	0	0	0	0	0	0	0	0	0	0	0	0.764124212	0.09206988	0.269540045	0.637898	68.7	125.285	3	184.585	0
OH280.14	0.3105	0.0828	0.6493	"N-Propyl-1,3-propanediamine"	CCCNCCCN	CCCNCCCN	0.005587395	0.000457431	0.005021834	6.0652	7	1	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.07	14.86	36.78				10.5	8.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.96	49.18	3.43	5.99	12.01	6.18	137.4	250.57	369.17	264.71	104.46	349.39	19.79	38.05	2	2	2	3	2.25	1	1	0	0	0	0	0	0	0	0	0	0	0	1.112620399	0.091088387	0.266666667	0.921222	68.7	125.285	3	184.585	0
OH280.15	0.3116	0.0835	0.4942	"N-Propyl-1,3-propanediamine"	CCCNCCCN	CCCNCCCN	0.004252719	0.000461298	0.005039625	6.0441	6	2	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.07	14.86	36.78				10.5	8.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.96	49.18	3.43	5.99	12.01	6.18	137.4	250.57	369.17	264.71	104.46	349.39	19.79	38.05	2	2	2	3	2.25	1	1	0	0	0	0	0	0	0	0	0	0	0	0.843856329	0.091534182	0.267971759	0.703615	68.7	125.285	3	184.585	0
OH280.16	0.3081	0.0814	0.8625	"N-Propyl-1,3-propanediamine"	CCCNCCCN	CCCNCCCN	0.007422036	0.000449696	0.004983018	6.0551	7	1	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.07	14.86	36.78				10.5	8.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.96	49.18	3.43	5.99	12.01	6.18	137.4	250.57	369.17	264.71	104.46	349.39	19.79	38.05	2	2	2	3	2.25	1	1	0	0	0	0	0	0	0	0	0	0	0	1.489466107	0.090245797	0.264199935	1.22575	68.7	125.285	3	184.585	0
OH280.17	0.3076	0.0873	0.9382	"N-Propyl-1,3-propanediamine"	CCCNCCCN	CCCNCCCN	0.008073454	0.000482291	0.004974931	6.0573	4	1	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.07	14.86	36.78				10.5	8.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.96	49.18	3.43	5.99	12.01	6.18	137.4	250.57	369.17	264.71	104.46	349.39	19.79	38.05	2	2	2	3	2.25	1	1	0	0	0	0	0	0	0	0	0	0	0	1.622827345	0.09694428	0.283810143	1.332847	68.7	125.285	3	184.585	0
OH280.18	0.3096	0.086	0.8002	"N-Propyl-1,3-propanediamine"	CCCNCCCN	CCCNCCCN	0.006885929	0.000475109	0.005007278	6.0284	6	2	2	Hydrothermal	90	24	23	Triangle		116.208	116.208	6	2	15.07	14.86	36.78				10.5	8.14			0	0	8	0	23	0	0	0	8	0	0	0	0	1	0	0	5	2.53	0	210	84	5	24.96	49.18	3.43	5.99	12.01	6.18	137.4	250.57	369.17	264.71	104.46	349.39	19.79	38.05	2	2	2	3	2.25	1	1	0	0	0	0	0	0	0	0	0	0	0	1.375184012	0.094883736	0.277777778	1.142248	68.7	125.285	3	184.585	0
OH283.1	0.3126	0.0846	0.08137	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.000527496	0.000467375	0.005055798	6.0277	5	4	1	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	0.104334925	0.092443349	0.270633397	0.0875	83.395	147.33	4.5	162.535	0
OH283.2	0.3118	0.0831	0.4187	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.002714301	0.000459088	0.005042859	6.0388	7	4	2	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	0.538246501	0.091037263	0.266516998	0.449477	83.395	147.33	4.5	162.535	0
OH283.3	0.3103	0.0818	0.9719	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.006300524	0.000451906	0.005018599	6.0613	6	4	1	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	1.255434827	0.090046286	0.263615856	1.039468	83.395	147.33	4.5	162.535	0
OH283.4	0.3078	0.0839	0.8027	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.005203654	0.000463508	0.004978166	6.0567	7	3	2	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	1.045295337	0.093108134	0.272579597	0.859157	83.395	147.33	4.5	162.535	0
OH283.5	0.308	0.083	0.9166	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.005942032	0.000458536	0.004981401	6.0517	6	4	1	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	1.192843592	0.092049547	0.269480519	0.981878	83.395	147.33	4.5	162.535	0
OH283.6	0.3113	0.0833	0.8341	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.00540721	0.000460193	0.005034773	6.0198	7	4	2	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	1.073973007	0.091402939	0.267587536	0.898237	83.395	147.33	4.5	162.535	0
OH283.7	0.3085	0.0836	1.2466	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.008081319	0.00046185	0.004989487	6.0379	7	1	2	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	1.619669186	0.092564698	0.270988655	1.338432	83.395	147.33	4.5	162.535	0
OH283.8	0.3069	0.0827	0.6606	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.004282464	0.000456878	0.00496361	6.0335	5	4	1	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	0.862772008	0.092045572	0.269468882	0.709781	83.395	147.33	4.5	162.535	0
OH283.9	0.3107	0.0821	0.7953	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.005155682	0.000453564	0.005025069	6.0403	5	4	1	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	1.025992284	0.090260177	0.264242034	0.853547	83.395	147.33	4.5	162.535	0
OH283.10	0.308	0.0858	0.2373	4-(1-Pyrrolidinyl)piperidine	C1CCN(C1)C2CCNCC2	C1CCN(C1)C1CCNCC1	0.001538342	0.000474004	0.004981401	6.0647	8	4	1	Hydrothermal	90	24	23	Triangle		154.257	154.257	9	2	18.69	18.92	47.69				10.57	7.98			2	0	11	0	30	0	0	0	0	0	11	5	6	1	2	0	1	1.82	2	345	153	11	32.74	51	3.61	5.2	9.79	6.22	166.79	294.66	325.07	250.15	74.93	313.5	11.57	15.27	2	2	1	1	2.2	0	1	1	0	0	0	0	0	0	0	1	0	0	0.308817133	0.095154833	0.278571429	0.253655	83.395	147.33	4.5	162.535	1
OH285.1	0.3098	0.0857	0.8903	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.007661263	0.000473452	0.005010513	6.0298	6	1	2	Hydrothermal	90	24	23	Triangle		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	1.529037651	0.094491705	0.276630084	1.270567	68.59	121.48	3	157.49	0
OH285.2	0.3101	0.0853	0.7075	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.006088221	0.000471242	0.005015365	6.0239	4	2	2	Hydrothermal	90	24	23	Triangle		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	1.213913937	0.093959683	0.275072557	1.010678	68.59	121.48	3	157.49	0
OH285.3	0.3099	0.0831	0.3611	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.003107359	0.000459088	0.00501213	6.124	3	2	2	Hydrothermal	90	24	23	Triangle		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	0.619967798	0.091595413	0.268151016	0.507407	68.59	121.48	3	157.49	0
OH285.4	0.3084	0.0826	0.7806	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.006717266	0.000456326	0.00498787	6.0133	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.346720271	0.09148712	0.267833982	1.117068	68.59	121.48	3	157.49	0
OH285.5	0.3106	0.0849	0.5271	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.004535832	0.000469032	0.005023451	6.0364	7	2	2	Hydrothermal	90	24	23	Triangle		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	0.902931459	0.093368529	0.273341919	0.751413	68.59	121.48	3	157.49	0
OH285.6	0.3053	0.0828	0.5821	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.005009122	0.000457431	0.004937732	6.0253	8	1	2	Hydrothermal	90	24	23	Triangle		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	1.014457868	0.092639843	0.271208647	0.831348	68.59	121.48	3	157.49	0
OH285.7	0.3101	0.0816	0.6313	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.0054325	0.000450801	0.005015365	6.1092	7	2	2	Hydrothermal	90	24	23	Triangle		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	1.083171546	0.089884058	0.263140922	0.889233	68.59	121.48	3	157.49	0
OH285.8	0.3057	0.0889	0.5341	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.004596069	0.00049113	0.004944202	6.0841	6	1	2	Hydrothermal	90	24	23	Triangle		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	0.929587679	0.099334612	0.290807982	0.755423	68.59	121.48	3	157.49	0
OH285.9	0.3058	0.0874	0.5556	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.004781082	0.000482844	0.004945819	6.1082	6	2	1	Hydrothermal	90	24	23	Triangle		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	0.966691669	0.097626615	0.285807717	0.782732	68.59	121.48	3	157.49	0
OH285.10	0.3112	0.0852	0.8343	"1,5-Diamino-2-methylpentane"	CC(CN)CCCN	CC(CN)CCCN	0.007179368	0.00047069	0.005033155	6.0606	2	2	2	Hydrothermal	90	24	23	Triangle		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	1.426414927	0.093517801	0.27377892	1.184597	68.59	121.48	3	157.49	0